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 2qd1_1_B DATA FIRST_RESID 65 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE RTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIKT LYELDIEYSQ VLAKECGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL 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 65 R HA 0.000 nan 4.340 nan 0.000 0.208 65 R C 0.000 176.289 176.300 -0.018 0.000 0.893 65 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 65 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 66 K N 1.523 121.911 120.400 -0.020 0.000 2.138 66 K HA 0.522 4.842 4.320 0.001 0.000 0.263 66 K C -2.594 173.990 176.600 -0.026 0.000 0.965 66 K CA -1.839 54.437 56.287 -0.019 0.000 0.868 66 K CB 0.989 33.481 32.500 -0.014 0.000 1.083 66 K HN 0.115 nan 8.250 nan 0.000 0.443 67 P HA -0.073 nan 4.420 nan 0.000 0.261 67 P C -0.249 177.031 177.300 -0.034 0.000 1.183 67 P CA 0.254 63.341 63.100 -0.021 0.000 0.761 67 P CB 0.658 32.368 31.700 0.017 0.000 0.785 68 K N 1.552 121.905 120.400 -0.078 0.000 2.350 68 K HA 0.101 4.421 4.320 0.001 0.000 0.196 68 K C -0.201 176.342 176.600 -0.096 0.000 1.084 68 K CA 0.633 56.864 56.287 -0.093 0.000 0.967 68 K CB 0.637 33.061 32.500 -0.126 0.000 0.950 68 K HN 0.326 nan 8.250 nan 0.000 0.512 69 T N 0.656 115.141 114.554 -0.116 0.000 2.847 69 T HA 0.427 4.778 4.350 0.001 0.000 0.291 69 T C -0.545 174.208 174.700 0.087 0.000 0.998 69 T CA -0.797 61.279 62.100 -0.041 0.000 0.967 69 T CB 1.623 70.457 68.868 -0.058 0.000 0.954 69 T HN 0.254 nan 8.240 nan 0.000 0.441 70 G N 2.670 111.530 108.800 0.100 0.000 2.348 70 G HA2 0.610 4.570 3.960 0.001 0.000 0.312 70 G HA3 0.610 4.570 3.960 0.001 0.000 0.312 70 G C -0.552 174.486 174.900 0.230 0.000 1.126 70 G CA -0.564 44.692 45.100 0.259 0.000 0.865 70 G HN 0.644 nan 8.290 nan 0.000 0.474 71 I N 3.403 124.194 120.570 0.368 0.000 2.405 71 I HA 0.169 4.340 4.170 0.001 0.000 0.280 71 I C -0.528 175.838 176.117 0.415 0.000 1.027 71 I CA -0.934 60.570 61.300 0.339 0.000 1.161 71 I CB 1.208 39.399 38.000 0.319 0.000 1.300 71 I HN 0.252 nan 8.210 nan 0.000 0.463 72 L N 7.624 129.068 121.223 0.368 0.000 2.342 72 L HA 0.386 4.726 4.340 0.001 0.000 0.285 72 L C 0.018 177.085 176.870 0.329 0.000 1.095 72 L CA 0.227 55.282 54.840 0.359 0.000 0.843 72 L CB 0.463 42.735 42.059 0.354 0.000 1.201 72 L HN 0.442 nan 8.230 nan 0.000 0.445 73 M N 6.634 126.394 119.600 0.267 0.000 2.146 73 M HA 0.312 4.792 4.480 0.001 0.000 0.352 73 M C -0.795 175.596 176.300 0.151 0.000 1.343 73 M CA 0.078 55.474 55.300 0.159 0.000 1.115 73 M CB 0.543 33.199 32.600 0.093 0.000 1.657 73 M HN 0.451 nan 8.290 nan 0.000 0.471 74 L N 3.947 125.260 121.223 0.150 0.000 2.295 74 L HA 0.597 4.938 4.340 0.001 0.000 0.285 74 L C 0.008 176.915 176.870 0.062 0.000 1.035 74 L CA -0.514 54.423 54.840 0.162 0.000 0.806 74 L CB 1.073 43.258 42.059 0.210 0.000 1.214 74 L HN 0.694 nan 8.230 nan 0.000 0.426 75 N N 1.620 120.395 118.700 0.124 0.000 3.020 75 N HA 0.278 5.019 4.740 0.001 0.000 0.248 75 N C 0.069 175.618 175.510 0.066 0.000 1.480 75 N CA -0.646 52.343 53.050 -0.101 0.000 0.874 75 N CB 1.718 40.177 38.487 -0.047 0.000 1.433 75 N HN 0.613 nan 8.380 nan 0.000 0.530 76 M N 0.871 120.478 119.600 0.010 0.000 2.175 76 M HA 0.128 4.608 4.480 0.001 0.000 0.264 76 M C 0.660 176.857 176.300 -0.171 0.000 1.063 76 M CA 1.983 57.274 55.300 -0.014 0.000 1.119 76 M CB -0.468 32.212 32.600 0.133 0.000 1.377 76 M HN 0.809 nan 8.290 nan 0.000 0.415 77 G N -0.835 107.584 108.800 -0.635 0.000 2.733 77 G HA2 0.068 4.029 3.960 0.001 0.000 0.686 77 G HA3 0.068 4.029 3.960 0.001 0.000 0.686 77 G C -0.404 174.161 174.900 -0.559 0.000 1.373 77 G CA -0.536 43.780 45.100 -1.306 0.000 0.838 77 G HN 0.798 nan 8.290 nan 0.000 0.588 78 G N 0.389 108.791 108.800 -0.664 0.000 2.672 78 G HA2 0.909 4.869 3.960 0.001 0.000 0.292 78 G HA3 0.909 4.869 3.960 0.001 0.000 0.292 78 G C -2.834 171.586 174.900 -0.801 0.000 1.375 78 G CA -0.553 44.050 45.100 -0.829 0.000 0.890 78 G HN 0.775 nan 8.290 nan 0.000 0.476 79 P HA 0.154 nan 4.420 nan 0.000 0.271 79 P C 0.202 177.172 177.300 -0.550 0.000 1.226 79 P CA 0.196 62.885 63.100 -0.685 0.000 0.765 79 P CB 2.295 33.578 31.700 -0.696 0.000 0.835 80 E N 1.367 121.394 120.200 -0.289 0.000 2.152 80 E HA -0.044 4.306 4.350 0.001 0.000 0.192 80 E C 0.648 177.134 176.600 -0.189 0.000 0.983 80 E CA 1.050 57.335 56.400 -0.192 0.000 0.818 80 E CB 0.302 29.957 29.700 -0.075 0.000 0.758 80 E HN 0.646 nan 8.360 nan 0.000 0.467 81 T N -3.976 110.470 114.554 -0.180 0.000 2.883 81 T HA 0.301 4.651 4.350 0.001 0.000 0.296 81 T C 1.006 175.628 174.700 -0.130 0.000 1.117 81 T CA -0.807 61.218 62.100 -0.126 0.000 1.006 81 T CB 0.918 69.750 68.868 -0.060 0.000 1.191 81 T HN -0.085 nan 8.240 nan 0.000 0.508 82 L N 0.759 121.941 121.223 -0.068 0.000 2.127 82 L HA 0.028 4.368 4.340 0.001 0.000 0.211 82 L C 2.878 179.745 176.870 -0.005 0.000 1.089 82 L CA 1.851 56.677 54.840 -0.023 0.000 0.757 82 L CB -1.062 41.006 42.059 0.015 0.000 0.899 82 L HN 1.020 nan 8.230 nan 0.000 0.434 83 G N -0.619 108.177 108.800 -0.006 0.000 2.498 83 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 83 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 83 G C 1.070 175.991 174.900 0.035 0.000 1.119 83 G CA 0.642 45.751 45.100 0.015 0.000 0.766 83 G HN 0.404 nan 8.290 nan 0.000 0.552 84 D N -0.133 120.272 120.400 0.008 0.000 2.367 84 D HA 0.054 4.694 4.640 0.001 0.000 0.207 84 D C 2.507 178.853 176.300 0.077 0.000 1.034 84 D CA -0.049 53.974 54.000 0.037 0.000 0.861 84 D CB 0.525 41.315 40.800 -0.017 0.000 0.943 84 D HN 0.178 nan 8.370 nan 0.000 0.515 85 V N 1.769 121.717 119.914 0.057 0.000 2.231 85 V HA -0.305 3.815 4.120 0.001 0.000 0.248 85 V C 2.496 178.729 176.094 0.232 0.000 1.054 85 V CA 1.820 64.208 62.300 0.146 0.000 1.015 85 V CB -0.738 31.172 31.823 0.145 0.000 0.638 85 V HN 0.399 nan 8.190 nan 0.000 0.444 86 H N 0.673 119.811 119.070 0.114 0.000 2.251 86 H HA -0.238 4.319 4.556 0.000 0.000 0.294 86 H C 2.179 177.569 175.328 0.104 0.000 1.078 86 H CA 2.655 58.760 56.048 0.095 0.000 1.246 86 H CB -0.400 29.396 29.762 0.055 0.000 1.358 86 H HN 0.460 nan 8.280 nan 0.000 0.488 87 D N -0.221 120.333 120.400 0.257 0.000 2.190 87 D HA -0.152 4.488 4.640 0.001 0.000 0.200 87 D C 2.030 178.387 176.300 0.094 0.000 0.992 87 D CA 1.091 55.197 54.000 0.176 0.000 0.854 87 D CB -0.633 40.292 40.800 0.208 0.000 0.936 87 D HN 0.342 nan 8.370 nan 0.000 0.462 88 F N 0.882 120.822 119.950 -0.016 0.000 2.084 88 F HA -0.069 4.459 4.527 0.000 0.000 0.296 88 F C 1.867 177.597 175.800 -0.117 0.000 1.111 88 F CA 1.178 59.158 58.000 -0.035 0.000 1.224 88 F CB -0.409 38.576 39.000 -0.025 0.000 0.991 88 F HN -0.093 nan 8.300 nan 0.000 0.471 89 L N -0.328 120.788 121.223 -0.179 0.000 2.083 89 L HA -0.205 4.135 4.340 0.001 0.000 0.209 89 L C 2.441 179.184 176.870 -0.212 0.000 1.083 89 L CA 0.875 55.563 54.840 -0.253 0.000 0.752 89 L CB -0.862 41.228 42.059 0.052 0.000 0.899 89 L HN 0.295 nan 8.230 nan 0.000 0.433 90 L N 0.141 121.222 121.223 -0.237 0.000 1.989 90 L HA -0.216 4.125 4.340 0.001 0.000 0.211 90 L C 2.740 179.508 176.870 -0.170 0.000 1.071 90 L CA 1.798 56.532 54.840 -0.176 0.000 0.749 90 L CB -0.530 41.416 42.059 -0.189 0.000 0.890 90 L HN 0.082 nan 8.230 nan 0.000 0.431 91 R N -0.850 119.526 120.500 -0.207 0.000 2.091 91 R HA -0.188 4.153 4.340 0.001 0.000 0.238 91 R C 2.338 178.334 176.300 -0.507 0.000 1.136 91 R CA 1.851 57.837 56.100 -0.189 0.000 0.959 91 R CB -0.665 29.620 30.300 -0.025 0.000 0.856 91 R HN 0.440 nan 8.270 nan 0.000 0.437 92 L N -0.096 120.503 121.223 -1.041 0.000 1.976 92 L HA -0.151 4.189 4.340 0.001 0.000 0.209 92 L C 1.682 178.008 176.870 -0.907 0.000 1.071 92 L CA 1.575 55.424 54.840 -1.652 0.000 0.746 92 L CB -0.180 40.813 42.059 -1.777 0.000 0.890 92 L HN 0.092 nan 8.230 nan 0.000 0.432 93 F N -0.619 119.071 119.950 -0.434 0.000 2.699 93 F HA -0.088 4.439 4.527 0.001 0.000 0.298 93 F C 1.940 177.645 175.800 -0.158 0.000 1.154 93 F CA 0.447 58.307 58.000 -0.234 0.000 1.457 93 F CB -0.056 38.845 39.000 -0.166 0.000 1.106 93 F HN 0.088 nan 8.300 nan 0.000 0.585 94 L N -0.881 120.312 121.223 -0.049 0.000 2.477 94 L HA 0.013 4.353 4.340 0.001 0.000 0.220 94 L C 0.449 177.309 176.870 -0.017 0.000 1.106 94 L CA 0.079 54.913 54.840 -0.011 0.000 0.851 94 L CB -0.102 41.949 42.059 -0.013 0.000 0.994 94 L HN -0.131 nan 8.230 nan 0.000 0.462 95 D N 0.672 121.036 120.400 -0.059 0.000 2.348 95 D HA -0.047 4.593 4.640 0.001 0.000 0.259 95 D C 1.329 177.626 176.300 -0.005 0.000 1.296 95 D CA 0.240 54.243 54.000 0.005 0.000 0.931 95 D CB 0.752 41.608 40.800 0.093 0.000 1.067 95 D HN -0.019 nan 8.370 nan 0.000 0.503 96 R N 2.967 123.472 120.500 0.007 0.000 2.152 96 R HA -0.133 4.207 4.340 0.001 0.000 0.232 96 R C 0.533 176.824 176.300 -0.015 0.000 1.117 96 R CA 1.089 57.188 56.100 -0.001 0.000 0.981 96 R CB 0.246 30.549 30.300 0.005 0.000 0.870 96 R HN 0.396 nan 8.270 nan 0.000 0.451 97 D N 0.548 120.943 120.400 -0.008 0.000 2.219 97 D HA -0.148 4.492 4.640 0.001 0.000 0.205 97 D C 1.694 177.957 176.300 -0.062 0.000 0.970 97 D CA 0.661 54.644 54.000 -0.027 0.000 0.851 97 D CB 0.001 40.792 40.800 -0.014 0.000 0.943 97 D HN 0.200 nan 8.370 nan 0.000 0.488 98 L N -0.668 120.525 121.223 -0.050 0.000 2.049 98 L HA 0.171 4.512 4.340 0.001 0.000 0.203 98 L C 0.626 177.427 176.870 -0.116 0.000 1.074 98 L CA 1.204 55.991 54.840 -0.089 0.000 0.749 98 L CB 0.101 42.125 42.059 -0.058 0.000 0.907 98 L HN -0.020 nan 8.230 nan 0.000 0.439 99 M N -1.076 118.477 119.600 -0.079 0.000 2.325 99 M HA 0.289 4.770 4.480 0.001 0.000 0.285 99 M C -1.147 175.136 176.300 -0.028 0.000 1.119 99 M CA -0.328 54.928 55.300 -0.073 0.000 0.959 99 M CB 1.628 34.204 32.600 -0.040 0.000 1.737 99 M HN -0.128 nan 8.290 nan 0.000 0.486 100 T N 4.406 118.937 114.554 -0.038 0.000 2.907 100 T HA 0.617 4.968 4.350 0.001 0.000 0.298 100 T C -0.912 173.794 174.700 0.010 0.000 1.017 100 T CA -0.091 62.000 62.100 -0.015 0.000 1.118 100 T CB 0.654 69.505 68.868 -0.028 0.000 0.948 100 T HN 0.481 nan 8.240 nan 0.000 0.531 101 L N 4.347 125.582 121.223 0.020 0.000 2.424 101 L HA 0.559 4.900 4.340 0.001 0.000 0.258 101 L C -2.228 174.651 176.870 0.015 0.000 0.995 101 L CA -2.106 52.752 54.840 0.030 0.000 0.821 101 L CB 2.204 44.295 42.059 0.054 0.000 1.383 101 L HN 0.406 nan 8.230 nan 0.000 0.410 102 P HA 0.305 nan 4.420 nan 0.000 0.279 102 P C 0.023 177.321 177.300 -0.004 0.000 1.239 102 P CA -0.311 62.788 63.100 -0.002 0.000 0.789 102 P CB 0.613 32.309 31.700 -0.008 0.000 0.933 103 I N -1.443 119.124 120.570 -0.006 0.000 3.815 103 I HA -0.288 3.883 4.170 0.001 0.000 0.126 103 I C 1.189 177.308 176.117 0.003 0.000 1.050 103 I CA 0.857 62.153 61.300 -0.006 0.000 2.736 103 I CB -2.582 35.407 38.000 -0.018 0.000 1.417 103 I HN 0.455 nan 8.210 nan 0.000 0.341 104 Q N 1.585 121.393 119.800 0.013 0.000 2.135 104 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 104 Q C 1.832 177.849 176.000 0.029 0.000 0.981 104 Q CA 1.920 57.739 55.803 0.026 0.000 0.856 104 Q CB 0.001 28.757 28.738 0.029 0.000 0.902 104 Q HN 0.839 nan 8.270 nan 0.000 0.425 105 N N 0.115 118.828 118.700 0.022 0.000 2.364 105 N HA -0.120 4.620 4.740 0.001 0.000 0.183 105 N C 1.018 176.545 175.510 0.029 0.000 1.022 105 N CA 1.092 54.157 53.050 0.025 0.000 0.883 105 N CB 0.138 38.637 38.487 0.020 0.000 0.965 105 N HN 0.282 nan 8.380 nan 0.000 0.438 106 K N -0.174 120.240 120.400 0.023 0.000 2.313 106 K HA 0.204 4.524 4.320 0.001 0.000 0.197 106 K C 1.925 178.550 176.600 0.042 0.000 1.061 106 K CA -0.055 56.247 56.287 0.025 0.000 0.980 106 K CB 0.321 32.822 32.500 0.001 0.000 0.888 106 K HN 0.018 nan 8.250 nan 0.000 0.502 107 L N 1.053 122.293 121.223 0.030 0.000 2.109 107 L HA -0.088 4.252 4.340 0.001 0.000 0.207 107 L C 2.486 179.409 176.870 0.087 0.000 1.086 107 L CA 0.817 55.689 54.840 0.053 0.000 0.760 107 L CB -0.361 41.707 42.059 0.015 0.000 0.910 107 L HN 0.167 nan 8.230 nan 0.000 0.437 108 A N 0.839 123.692 122.820 0.054 0.000 1.873 108 A HA -0.192 4.128 4.320 0.001 0.000 0.218 108 A C -0.191 177.404 177.584 0.017 0.000 1.193 108 A CA 2.052 54.116 52.037 0.046 0.000 0.629 108 A CB -1.921 17.122 19.000 0.071 0.000 0.826 108 A HN 0.299 nan 8.150 nan 0.000 0.447 109 P HA -0.130 nan 4.420 nan 0.000 0.217 109 P C 1.440 178.778 177.300 0.063 0.000 1.150 109 P CA 1.018 64.153 63.100 0.058 0.000 0.832 109 P CB -0.136 31.619 31.700 0.092 0.000 0.787 110 F N 0.359 120.280 119.950 -0.048 0.000 2.102 110 F HA -0.178 4.349 4.527 0.000 0.000 0.298 110 F C 1.989 177.722 175.800 -0.112 0.000 1.105 110 F CA 1.522 59.486 58.000 -0.059 0.000 1.239 110 F CB -0.844 38.117 39.000 -0.064 0.000 0.991 110 F HN -0.239 nan 8.300 nan 0.000 0.474 111 I N 0.323 120.773 120.570 -0.200 0.000 2.142 111 I HA -0.314 3.856 4.170 0.001 0.000 0.240 111 I C 2.749 178.614 176.117 -0.421 0.000 1.078 111 I CA 1.255 62.280 61.300 -0.458 0.000 1.343 111 I CB -1.190 36.362 38.000 -0.748 0.000 1.046 111 I HN 0.246 nan 8.210 nan 0.000 0.405 112 A N 0.957 123.610 122.820 -0.278 0.000 1.892 112 A HA -0.309 4.011 4.320 0.001 0.000 0.218 112 A C 2.287 179.797 177.584 -0.124 0.000 1.188 112 A CA 2.364 54.286 52.037 -0.190 0.000 0.631 112 A CB -0.554 18.257 19.000 -0.314 0.000 0.822 112 A HN 0.280 nan 8.150 nan 0.000 0.447 113 K N -0.280 120.069 120.400 -0.085 0.000 2.026 113 K HA -0.112 4.208 4.320 0.001 0.000 0.208 113 K C 2.116 178.641 176.600 -0.126 0.000 1.048 113 K CA 1.530 57.813 56.287 -0.006 0.000 0.929 113 K CB -0.247 32.236 32.500 -0.028 0.000 0.713 113 K HN 0.333 nan 8.250 nan 0.000 0.439 114 R N 0.046 120.359 120.500 -0.311 0.000 2.075 114 R HA -0.035 4.305 4.340 0.001 0.000 0.232 114 R C 2.490 178.681 176.300 -0.183 0.000 1.126 114 R CA 1.429 57.341 56.100 -0.312 0.000 0.963 114 R CB -0.526 29.453 30.300 -0.534 0.000 0.858 114 R HN 0.294 nan 8.270 nan 0.000 0.435 115 R N 0.283 120.681 120.500 -0.170 0.000 2.153 115 R HA -0.029 4.311 4.340 0.001 0.000 0.218 115 R C 1.751 178.042 176.300 -0.014 0.000 1.072 115 R CA 1.172 57.221 56.100 -0.084 0.000 0.990 115 R CB -0.021 30.237 30.300 -0.070 0.000 0.889 115 R HN 0.078 nan 8.270 nan 0.000 0.452 116 T N 1.535 116.097 114.554 0.013 0.000 2.649 116 T HA -0.140 4.211 4.350 0.001 0.000 0.268 116 T C -1.205 173.524 174.700 0.048 0.000 1.036 116 T CA 1.854 63.995 62.100 0.069 0.000 1.157 116 T CB -0.873 68.070 68.868 0.126 0.000 0.861 116 T HN 0.306 nan 8.240 nan 0.000 0.445 117 P HA -0.145 nan 4.420 nan 0.000 0.214 117 P C 1.533 178.826 177.300 -0.011 0.000 1.163 117 P CA 1.515 64.617 63.100 0.003 0.000 0.889 117 P CB -0.111 31.582 31.700 -0.012 0.000 0.790 118 K N -0.726 119.657 120.400 -0.029 0.000 2.148 118 K HA -0.069 4.252 4.320 0.001 0.000 0.204 118 K C 1.819 178.358 176.600 -0.101 0.000 1.050 118 K CA 1.411 57.662 56.287 -0.060 0.000 0.942 118 K CB -0.762 31.701 32.500 -0.062 0.000 0.724 118 K HN -0.019 nan 8.250 nan 0.000 0.446 119 I N 2.210 122.747 120.570 -0.055 0.000 2.439 119 I HA -0.158 4.012 4.170 0.001 0.000 0.251 119 I C 2.343 178.470 176.117 0.016 0.000 1.139 119 I CA 1.303 62.565 61.300 -0.064 0.000 1.438 119 I CB -1.090 36.950 38.000 0.068 0.000 1.085 119 I HN 0.366 nan 8.210 nan 0.000 0.427 120 Q N 0.273 120.110 119.800 0.061 0.000 2.124 120 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 120 Q C 2.080 178.102 176.000 0.038 0.000 0.977 120 Q CA 1.689 57.548 55.803 0.094 0.000 0.850 120 Q CB -0.069 28.707 28.738 0.062 0.000 0.901 120 Q HN 0.413 nan 8.270 nan 0.000 0.429 121 E N 0.991 121.173 120.200 -0.030 0.000 2.150 121 E HA -0.191 4.159 4.350 0.001 0.000 0.193 121 E C 1.780 178.302 176.600 -0.130 0.000 0.985 121 E CA 1.318 57.687 56.400 -0.052 0.000 0.814 121 E CB 0.059 29.728 29.700 -0.052 0.000 0.752 121 E HN 0.299 nan 8.360 nan 0.000 0.466 122 Q N -0.999 118.612 119.800 -0.314 0.000 2.050 122 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 122 Q C 1.929 177.702 176.000 -0.379 0.000 0.980 122 Q CA 1.669 57.066 55.803 -0.677 0.000 0.840 122 Q CB -0.251 27.838 28.738 -1.081 0.000 0.898 122 Q HN 0.474 nan 8.270 nan 0.000 0.424 123 Y N 0.196 120.403 120.300 -0.155 0.000 2.242 123 Y HA -0.192 4.358 4.550 0.001 0.000 0.291 123 Y C 2.576 178.456 175.900 -0.032 0.000 1.137 123 Y CA 1.027 59.083 58.100 -0.074 0.000 1.181 123 Y CB 0.025 38.441 38.460 -0.074 0.000 0.989 123 Y HN 0.048 nan 8.280 nan 0.000 0.527 124 R N 0.467 121.032 120.500 0.109 0.000 2.096 124 R HA -0.160 4.180 4.340 0.001 0.000 0.235 124 R C 2.107 178.449 176.300 0.069 0.000 1.127 124 R CA 1.083 57.227 56.100 0.073 0.000 0.968 124 R CB -0.000 30.326 30.300 0.044 0.000 0.861 124 R HN 0.130 nan 8.270 nan 0.000 0.440 125 R N 0.873 121.415 120.500 0.070 0.000 2.152 125 R HA -0.107 4.234 4.340 0.001 0.000 0.232 125 R C 1.952 178.321 176.300 0.115 0.000 1.117 125 R CA 1.259 57.426 56.100 0.112 0.000 0.981 125 R CB -0.389 30.046 30.300 0.225 0.000 0.870 125 R HN 0.521 nan 8.270 nan 0.000 0.451 126 I N -4.108 116.534 120.570 0.120 0.000 3.914 126 I HA 0.415 4.585 4.170 0.001 0.000 0.333 126 I C 0.721 176.898 176.117 0.100 0.000 1.449 126 I CA 0.459 61.826 61.300 0.112 0.000 1.135 126 I CB 0.697 38.774 38.000 0.129 0.000 1.073 126 I HN 0.114 nan 8.210 nan 0.000 0.401 127 G N 0.938 109.788 108.800 0.084 0.000 2.296 127 G HA2 -0.061 3.900 3.960 0.001 0.000 0.188 127 G HA3 -0.061 3.900 3.960 0.001 0.000 0.188 127 G C 0.935 175.867 174.900 0.053 0.000 1.000 127 G CA -0.422 44.714 45.100 0.061 0.000 0.672 127 G HN 1.270 nan 8.290 nan 0.000 0.483 128 G N -1.141 107.706 108.800 0.079 0.000 2.168 128 G HA2 0.526 4.486 3.960 0.001 0.000 0.197 128 G HA3 0.526 4.486 3.960 0.001 0.000 0.197 128 G C 1.256 176.165 174.900 0.015 0.000 0.997 128 G CA 0.864 45.995 45.100 0.052 0.000 0.658 128 G HN 2.590 nan 8.290 nan 0.000 0.513 129 G N -1.350 107.475 108.800 0.040 0.000 2.328 129 G HA2 0.602 4.562 3.960 0.001 0.000 0.295 129 G HA3 0.602 4.562 3.960 0.001 0.000 0.295 129 G C -0.631 174.244 174.900 -0.042 0.000 1.413 129 G CA 0.574 45.583 45.100 -0.151 0.000 0.817 129 G HN 1.544 nan 8.290 nan 0.000 0.546 130 S N 0.296 115.856 115.700 -0.232 0.000 2.537 130 S HA 0.662 5.133 4.470 0.001 0.000 0.275 130 S C -1.349 173.252 174.600 0.003 0.000 1.272 130 S CA -0.983 57.216 58.200 -0.001 0.000 1.050 130 S CB 1.494 64.639 63.200 -0.091 0.000 0.961 130 S HN 0.491 nan 8.310 nan 0.000 0.496 131 P HA 0.206 nan 4.420 nan 0.000 0.263 131 P C 1.279 178.664 177.300 0.141 0.000 1.448 131 P CA -0.156 62.973 63.100 0.048 0.000 0.983 131 P CB -0.036 31.699 31.700 0.059 0.000 1.481 132 I N 0.549 121.223 120.570 0.173 0.000 2.264 132 I HA -0.250 3.920 4.170 0.001 0.000 0.248 132 I C 2.325 178.629 176.117 0.312 0.000 1.111 132 I CA 1.533 62.972 61.300 0.232 0.000 1.382 132 I CB 0.047 38.057 38.000 0.017 0.000 1.060 132 I HN -0.098 nan 8.210 nan 0.000 0.418 133 K N 1.044 121.627 120.400 0.305 0.000 2.026 133 K HA -0.187 4.133 4.320 0.001 0.000 0.208 133 K C 2.085 178.782 176.600 0.161 0.000 1.048 133 K CA 1.791 58.310 56.287 0.386 0.000 0.929 133 K CB -0.164 32.533 32.500 0.329 0.000 0.713 133 K HN 0.374 nan 8.250 nan 0.000 0.439 134 I N -0.322 120.255 120.570 0.011 0.000 2.163 134 I HA -0.302 3.868 4.170 0.001 0.000 0.243 134 I C 1.991 178.018 176.117 -0.149 0.000 1.085 134 I CA 1.649 62.855 61.300 -0.158 0.000 1.347 134 I CB -0.360 37.411 38.000 -0.380 0.000 1.044 134 I HN 0.374 nan 8.210 nan 0.000 0.408 135 W N 0.667 122.002 121.300 0.059 0.000 2.381 135 W HA -0.151 4.510 4.660 0.001 0.000 0.301 135 W C 2.776 179.322 176.519 0.045 0.000 1.205 135 W CA 0.980 58.349 57.345 0.040 0.000 1.285 135 W CB -0.697 28.780 29.460 0.029 0.000 1.133 135 W HN -0.026 nan 8.180 nan 0.000 0.521 136 T N -0.273 114.465 114.554 0.307 0.000 2.720 136 T HA -0.210 4.140 4.350 0.001 0.000 0.268 136 T C 1.803 176.509 174.700 0.010 0.000 1.037 136 T CA 1.830 64.048 62.100 0.196 0.000 1.144 136 T CB -0.550 68.481 68.868 0.273 0.000 0.864 136 T HN 0.017 nan 8.240 nan 0.000 0.444 137 S N 1.123 116.833 115.700 0.017 0.000 2.348 137 S HA -0.071 4.400 4.470 0.001 0.000 0.221 137 S C 2.077 176.584 174.600 -0.154 0.000 1.033 137 S CA 1.023 59.176 58.200 -0.077 0.000 1.010 137 S CB -0.213 63.024 63.200 0.060 0.000 0.891 137 S HN 0.495 nan 8.310 nan 0.000 0.442 138 K N 1.010 121.397 120.400 -0.023 0.000 2.113 138 K HA -0.161 4.160 4.320 0.001 0.000 0.208 138 K C 2.376 178.976 176.600 -0.001 0.000 1.047 138 K CA 1.394 57.690 56.287 0.014 0.000 0.928 138 K CB -0.207 32.358 32.500 0.107 0.000 0.716 138 K HN 0.470 nan 8.250 nan 0.000 0.446 139 Q N -0.597 119.218 119.800 0.025 0.000 2.172 139 Q HA -0.066 4.274 4.340 0.001 0.000 0.200 139 Q C 2.260 178.152 176.000 -0.180 0.000 0.964 139 Q CA 1.188 57.005 55.803 0.023 0.000 0.855 139 Q CB -0.073 28.771 28.738 0.177 0.000 0.918 139 Q HN 0.428 nan 8.270 nan 0.000 0.444 140 G N 1.630 110.165 108.800 -0.442 0.000 2.414 140 G HA2 -0.255 3.705 3.960 0.001 0.000 0.215 140 G HA3 -0.255 3.705 3.960 0.001 0.000 0.215 140 G C 1.087 175.666 174.900 -0.535 0.000 1.188 140 G CA 0.666 45.277 45.100 -0.816 0.000 0.783 140 G HN 0.326 nan 8.290 nan 0.000 0.537 141 E N 0.352 120.296 120.200 -0.426 0.000 2.085 141 E HA -0.082 4.269 4.350 0.001 0.000 0.194 141 E C 2.696 179.270 176.600 -0.045 0.000 0.994 141 E CA 0.741 57.106 56.400 -0.058 0.000 0.801 141 E CB -0.412 29.295 29.700 0.012 0.000 0.743 141 E HN 0.386 nan 8.360 nan 0.000 0.453 142 G N 1.485 110.242 108.800 -0.071 0.000 2.418 142 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 142 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 142 G C 1.555 176.414 174.900 -0.068 0.000 1.158 142 G CA 0.871 45.944 45.100 -0.046 0.000 0.771 142 G HN 0.148 nan 8.290 nan 0.000 0.545 143 M N 0.340 119.879 119.600 -0.102 0.000 2.086 143 M HA -0.061 4.420 4.480 0.001 0.000 0.261 143 M C 2.515 178.768 176.300 -0.079 0.000 1.067 143 M CA 1.398 56.632 55.300 -0.109 0.000 1.116 143 M CB -0.126 32.405 32.600 -0.115 0.000 1.348 143 M HN 0.093 nan 8.290 nan 0.000 0.407 144 V N 0.782 120.683 119.914 -0.021 0.000 2.343 144 V HA -0.292 3.828 4.120 0.001 0.000 0.247 144 V C 2.316 178.411 176.094 0.002 0.000 1.051 144 V CA 2.141 64.457 62.300 0.027 0.000 1.036 144 V CB -0.848 31.051 31.823 0.127 0.000 0.654 144 V HN 0.524 nan 8.190 nan 0.000 0.451 145 K N -0.149 120.250 120.400 -0.002 0.000 2.063 145 K HA -0.168 4.152 4.320 0.001 0.000 0.208 145 K C 2.008 178.588 176.600 -0.033 0.000 1.048 145 K CA 1.614 57.897 56.287 -0.005 0.000 0.928 145 K CB -0.198 32.298 32.500 -0.006 0.000 0.713 145 K HN 0.418 nan 8.250 nan 0.000 0.442 146 L N 0.259 121.443 121.223 -0.065 0.000 2.131 146 L HA -0.114 4.226 4.340 0.001 0.000 0.206 146 L C 2.289 179.073 176.870 -0.143 0.000 1.087 146 L CA 0.712 55.495 54.840 -0.096 0.000 0.767 146 L CB -0.372 41.622 42.059 -0.108 0.000 0.917 146 L HN 0.179 nan 8.230 nan 0.000 0.441 147 L N -0.245 120.858 121.223 -0.200 0.000 2.093 147 L HA -0.191 4.150 4.340 0.001 0.000 0.208 147 L C 2.101 178.834 176.870 -0.227 0.000 1.085 147 L CA 0.919 55.539 54.840 -0.367 0.000 0.755 147 L CB -0.522 41.103 42.059 -0.724 0.000 0.904 147 L HN 0.257 nan 8.230 nan 0.000 0.435 148 D N -0.250 120.137 120.400 -0.022 0.000 2.263 148 D HA -0.154 4.486 4.640 0.001 0.000 0.208 148 D C 2.075 178.411 176.300 0.061 0.000 0.971 148 D CA 0.925 55.012 54.000 0.145 0.000 0.867 148 D CB 0.137 41.009 40.800 0.119 0.000 0.929 148 D HN 0.351 nan 8.370 nan 0.000 0.492 149 E N -0.329 119.865 120.200 -0.011 0.000 2.201 149 E HA 0.090 4.440 4.350 0.001 0.000 0.193 149 E C 2.407 178.970 176.600 -0.063 0.000 0.957 149 E CA -0.059 56.325 56.400 -0.027 0.000 0.858 149 E CB 0.060 29.736 29.700 -0.040 0.000 0.816 149 E HN 0.304 nan 8.360 nan 0.000 0.475 150 L N 0.316 121.454 121.223 -0.142 0.000 2.131 150 L HA 0.034 4.374 4.340 0.001 0.000 0.206 150 L C 1.308 178.080 176.870 -0.163 0.000 1.087 150 L CA 0.738 55.405 54.840 -0.289 0.000 0.767 150 L CB 0.212 41.927 42.059 -0.574 0.000 0.917 150 L HN -0.097 nan 8.230 nan 0.000 0.441 151 S N -1.041 114.668 115.700 0.015 0.000 2.130 151 S HA 0.305 4.775 4.470 0.001 0.000 0.165 151 S C -1.890 172.838 174.600 0.213 0.000 1.677 151 S CA -1.386 56.940 58.200 0.210 0.000 1.227 151 S CB 0.658 64.072 63.200 0.357 0.000 1.115 151 S HN -0.125 nan 8.310 nan 0.000 0.452 152 P HA -0.064 nan 4.420 nan 0.000 0.218 152 P C 1.170 178.509 177.300 0.065 0.000 1.148 152 P CA 0.896 64.050 63.100 0.090 0.000 0.822 152 P CB 0.141 31.873 31.700 0.053 0.000 0.784 153 N N -0.834 117.905 118.700 0.065 0.000 2.104 153 N HA -0.108 4.632 4.740 0.001 0.000 0.190 153 N C 1.273 176.786 175.510 0.004 0.000 1.024 153 N CA 1.890 54.959 53.050 0.031 0.000 0.853 153 N CB -1.576 36.930 38.487 0.032 0.000 1.008 153 N HN 0.264 nan 8.380 nan 0.000 0.424 154 T N -0.796 113.776 114.554 0.029 0.000 3.496 154 T HA 0.525 4.876 4.350 0.001 0.000 0.253 154 T C 0.889 175.412 174.700 -0.295 0.000 1.134 154 T CA 0.311 62.367 62.100 -0.073 0.000 0.993 154 T CB -0.743 68.179 68.868 0.089 0.000 1.018 154 T HN 0.427 nan 8.240 nan 0.000 0.571 155 A N 2.086 124.816 122.820 -0.151 0.000 5.989 155 A HA -0.130 4.190 4.320 0.001 0.000 0.346 155 A C -2.231 175.203 177.584 -0.250 0.000 1.838 155 A CA -0.148 51.802 52.037 -0.145 0.000 0.926 155 A CB -2.044 16.887 19.000 -0.115 0.000 1.300 155 A HN 0.490 nan 8.150 nan 0.000 0.441 156 P HA 0.375 nan 4.420 nan 0.000 0.267 156 P C -0.607 176.574 177.300 -0.199 0.000 1.205 156 P CA 0.659 63.700 63.100 -0.097 0.000 0.765 156 P CB 0.242 31.917 31.700 -0.042 0.000 0.828 157 H N 1.109 120.190 119.070 0.019 0.000 2.502 157 H HA 0.579 5.135 4.556 0.001 0.000 0.338 157 H C 0.227 175.566 175.328 0.019 0.000 1.155 157 H CA -0.379 55.689 56.048 0.034 0.000 1.237 157 H CB 1.261 31.052 29.762 0.047 0.000 1.534 157 H HN 0.230 nan 8.280 nan 0.000 0.523 158 K N 1.995 122.474 120.400 0.132 0.000 2.513 158 K HA 0.240 4.560 4.320 0.001 0.000 0.251 158 K C -1.513 175.050 176.600 -0.061 0.000 0.939 158 K CA -0.912 55.341 56.287 -0.058 0.000 0.793 158 K CB 1.315 33.686 32.500 -0.214 0.000 1.241 158 K HN 0.651 nan 8.250 nan 0.000 0.431 159 Y N 1.460 121.643 120.300 -0.195 0.000 2.352 159 Y HA 0.576 5.126 4.550 0.001 0.000 0.326 159 Y C -1.594 174.128 175.900 -0.297 0.000 1.166 159 Y CA -0.748 57.295 58.100 -0.094 0.000 1.182 159 Y CB 0.795 39.237 38.460 -0.030 0.000 1.216 159 Y HN 0.375 nan 8.280 nan 0.000 0.474 160 Y N 3.645 123.998 120.300 0.088 0.000 2.406 160 Y HA 0.511 5.061 4.550 0.000 0.000 0.340 160 Y C -0.514 175.434 175.900 0.079 0.000 0.975 160 Y CA -1.346 56.739 58.100 -0.026 0.000 1.056 160 Y CB 1.701 40.153 38.460 -0.013 0.000 1.210 160 Y HN 0.577 nan 8.280 nan 0.000 0.448 161 I N 2.745 123.385 120.570 0.118 0.000 2.371 161 I HA 0.426 4.596 4.170 0.001 0.000 0.290 161 I C 0.584 176.626 176.117 -0.125 0.000 1.028 161 I CA -0.202 61.052 61.300 -0.077 0.000 1.345 161 I CB 1.027 38.823 38.000 -0.341 0.000 1.407 161 I HN 0.900 nan 8.210 nan 0.000 0.501 162 G N 7.174 115.934 108.800 -0.067 0.000 3.302 162 G HA2 0.451 4.412 3.960 0.001 0.000 0.338 162 G HA3 0.451 4.412 3.960 0.001 0.000 0.338 162 G C -0.588 174.398 174.900 0.144 0.000 1.405 162 G CA -0.327 44.789 45.100 0.027 0.000 1.090 162 G HN 0.437 nan 8.290 nan 0.000 0.482 163 F N 0.891 120.861 119.950 0.034 0.000 2.412 163 F HA 0.270 4.798 4.527 0.001 0.000 0.348 163 F C 1.720 177.475 175.800 -0.075 0.000 1.102 163 F CA -1.211 56.788 58.000 -0.003 0.000 1.196 163 F CB 2.005 41.021 39.000 0.026 0.000 1.144 163 F HN 0.386 nan 8.300 nan 0.000 0.541 164 R N 2.025 122.521 120.500 -0.007 0.000 2.090 164 R HA -0.102 4.238 4.340 0.001 0.000 0.228 164 R C 0.598 176.609 176.300 -0.480 0.000 1.110 164 R CA 1.802 57.676 56.100 -0.376 0.000 0.973 164 R CB -0.300 29.540 30.300 -0.767 0.000 0.869 164 R HN 0.705 nan 8.270 nan 0.000 0.440 165 Y N -1.106 119.262 120.300 0.112 0.000 2.557 165 Y HA 0.308 4.859 4.550 0.001 0.000 0.247 165 Y C -0.207 175.785 175.900 0.153 0.000 1.164 165 Y CA -0.565 57.573 58.100 0.063 0.000 1.218 165 Y CB 1.096 39.479 38.460 -0.129 0.000 1.210 165 Y HN -0.122 nan 8.280 nan 0.000 0.529 166 V N -4.495 115.559 119.914 0.233 0.000 3.216 166 V HA 0.445 4.565 4.120 0.001 0.000 0.302 166 V C -0.711 175.438 176.094 0.092 0.000 1.286 166 V CA -1.345 61.030 62.300 0.124 0.000 1.048 166 V CB 1.503 33.431 31.823 0.176 0.000 1.081 166 V HN -0.018 nan 8.190 nan 0.000 0.442 167 H N 2.730 121.915 119.070 0.192 0.000 2.886 167 H HA 0.337 4.894 4.556 0.001 0.000 0.329 167 H C -2.303 173.115 175.328 0.151 0.000 1.044 167 H CA -0.795 55.335 56.048 0.136 0.000 1.456 167 H CB 1.043 30.857 29.762 0.087 0.000 1.464 167 H HN 0.605 nan 8.280 nan 0.000 0.573 168 P HA 0.148 nan 4.420 nan 0.000 0.287 168 P C 0.103 177.458 177.300 0.091 0.000 1.294 168 P CA -0.329 62.844 63.100 0.121 0.000 0.776 168 P CB 0.889 32.594 31.700 0.007 0.000 0.889 169 L N 2.480 123.766 121.223 0.105 0.000 2.476 169 L HA 0.071 4.411 4.340 0.001 0.000 0.264 169 L C 2.147 179.034 176.870 0.030 0.000 1.224 169 L CA -0.065 54.809 54.840 0.055 0.000 0.821 169 L CB -0.263 41.809 42.059 0.021 0.000 1.101 169 L HN 0.366 nan 8.230 nan 0.000 0.488 170 T N -0.419 114.145 114.554 0.017 0.000 2.720 170 T HA -0.184 4.166 4.350 0.001 0.000 0.268 170 T C 1.550 176.196 174.700 -0.091 0.000 1.037 170 T CA 1.723 63.818 62.100 -0.008 0.000 1.144 170 T CB -0.170 68.697 68.868 -0.001 0.000 0.864 170 T HN 0.571 nan 8.240 nan 0.000 0.444 171 E N 1.492 121.641 120.200 -0.085 0.000 2.038 171 E HA -0.145 4.205 4.350 0.001 0.000 0.195 171 E C 2.268 178.737 176.600 -0.220 0.000 1.000 171 E CA 1.331 57.629 56.400 -0.170 0.000 0.803 171 E CB -0.324 29.392 29.700 0.027 0.000 0.750 171 E HN 0.612 nan 8.360 nan 0.000 0.448 172 E N 0.451 120.613 120.200 -0.063 0.000 2.058 172 E HA -0.224 4.126 4.350 0.001 0.000 0.194 172 E C 2.114 178.672 176.600 -0.071 0.000 0.997 172 E CA 1.077 57.459 56.400 -0.029 0.000 0.801 172 E CB -0.256 29.480 29.700 0.060 0.000 0.746 172 E HN 0.306 nan 8.360 nan 0.000 0.450 173 A N 1.314 124.095 122.820 -0.064 0.000 1.883 173 A HA -0.194 4.126 4.320 0.001 0.000 0.217 173 A C 2.212 179.695 177.584 -0.169 0.000 1.186 173 A CA 1.261 53.267 52.037 -0.052 0.000 0.624 173 A CB -0.675 18.331 19.000 0.009 0.000 0.822 173 A HN 0.153 nan 8.150 nan 0.000 0.444 174 I N -0.396 120.027 120.570 -0.245 0.000 2.226 174 I HA -0.277 3.893 4.170 0.001 0.000 0.245 174 I C 2.436 178.369 176.117 -0.308 0.000 1.100 174 I CA 1.683 62.802 61.300 -0.301 0.000 1.374 174 I CB -0.558 37.057 38.000 -0.640 0.000 1.057 174 I HN 0.434 nan 8.210 nan 0.000 0.413 175 E N 0.496 120.492 120.200 -0.340 0.000 2.110 175 E HA -0.275 4.075 4.350 0.001 0.000 0.193 175 E C 2.068 178.630 176.600 -0.064 0.000 0.988 175 E CA 1.209 57.529 56.400 -0.134 0.000 0.804 175 E CB -0.093 29.575 29.700 -0.054 0.000 0.745 175 E HN 0.500 nan 8.360 nan 0.000 0.458 176 E N 0.511 120.664 120.200 -0.079 0.000 2.072 176 E HA -0.154 4.197 4.350 0.001 0.000 0.190 176 E C 2.077 178.640 176.600 -0.063 0.000 0.982 176 E CA 0.738 57.127 56.400 -0.018 0.000 0.803 176 E CB 0.076 29.813 29.700 0.062 0.000 0.755 176 E HN 0.200 nan 8.360 nan 0.000 0.453 177 M N 0.287 119.710 119.600 -0.294 0.000 2.117 177 M HA -0.169 4.311 4.480 0.001 0.000 0.262 177 M C 2.210 178.430 176.300 -0.134 0.000 1.065 177 M CA 1.375 56.417 55.300 -0.430 0.000 1.114 177 M CB -0.119 32.097 32.600 -0.641 0.000 1.361 177 M HN -0.007 nan 8.290 nan 0.000 0.408 178 E N 0.522 120.691 120.200 -0.052 0.000 2.051 178 E HA -0.137 4.213 4.350 0.001 0.000 0.192 178 E C 1.986 178.605 176.600 0.031 0.000 0.991 178 E CA 1.456 57.880 56.400 0.040 0.000 0.799 178 E CB 0.002 29.768 29.700 0.110 0.000 0.748 178 E HN 0.279 nan 8.360 nan 0.000 0.449 179 R N 0.314 120.828 120.500 0.023 0.000 2.091 179 R HA -0.137 4.203 4.340 0.001 0.000 0.238 179 R C 1.418 177.736 176.300 0.029 0.000 1.136 179 R CA 1.496 57.614 56.100 0.030 0.000 0.959 179 R CB -0.350 29.967 30.300 0.029 0.000 0.856 179 R HN 0.224 nan 8.270 nan 0.000 0.437 180 D N -0.418 120.005 120.400 0.037 0.000 2.403 180 D HA -0.026 4.615 4.640 0.001 0.000 0.227 180 D C 0.921 177.237 176.300 0.027 0.000 0.995 180 D CA 1.076 55.106 54.000 0.049 0.000 0.928 180 D CB -0.274 40.595 40.800 0.114 0.000 0.887 180 D HN 0.468 nan 8.370 nan 0.000 0.529 181 G N 0.890 109.700 108.800 0.016 0.000 2.305 181 G HA2 -0.325 3.635 3.960 0.001 0.000 0.287 181 G HA3 -0.325 3.635 3.960 0.001 0.000 0.287 181 G C 0.357 175.252 174.900 -0.009 0.000 1.036 181 G CA 0.058 45.162 45.100 0.007 0.000 0.887 181 G HN 0.353 nan 8.290 nan 0.000 0.505 182 L N -0.729 120.481 121.223 -0.021 0.000 2.482 182 L HA 0.235 4.576 4.340 0.001 0.000 0.273 182 L C 1.817 178.647 176.870 -0.066 0.000 1.228 182 L CA 0.771 55.585 54.840 -0.043 0.000 0.827 182 L CB 0.364 42.382 42.059 -0.070 0.000 1.099 182 L HN 0.587 nan 8.230 nan 0.000 0.494 183 E N 0.632 120.787 120.200 -0.075 0.000 2.473 183 E HA 0.139 4.490 4.350 0.001 0.000 0.204 183 E C 0.414 176.947 176.600 -0.112 0.000 0.994 183 E CA -0.223 56.130 56.400 -0.079 0.000 0.945 183 E CB 0.748 30.412 29.700 -0.060 0.000 0.990 183 E HN 0.495 nan 8.360 nan 0.000 0.493 184 R N 0.621 121.037 120.500 -0.139 0.000 2.626 184 R HA 0.628 4.968 4.340 0.001 0.000 0.274 184 R C -2.035 174.113 176.300 -0.253 0.000 1.031 184 R CA -0.421 55.574 56.100 -0.174 0.000 0.898 184 R CB 2.264 32.508 30.300 -0.094 0.000 1.222 184 R HN 0.096 nan 8.270 nan 0.000 0.455 185 A N 5.238 127.801 122.820 -0.428 0.000 2.359 185 A HA 0.614 4.934 4.320 0.001 0.000 0.303 185 A C -1.041 176.369 177.584 -0.290 0.000 1.066 185 A CA -0.686 50.981 52.037 -0.618 0.000 0.730 185 A CB 0.962 19.006 19.000 -1.593 0.000 1.211 185 A HN 0.635 nan 8.150 nan 0.000 0.439 186 I N 2.398 122.971 120.570 0.005 0.000 2.382 186 I HA 0.443 4.613 4.170 0.001 0.000 0.286 186 I C 0.651 176.994 176.117 0.377 0.000 1.002 186 I CA -0.514 60.931 61.300 0.241 0.000 1.135 186 I CB 1.975 40.081 38.000 0.177 0.000 1.288 186 I HN 0.738 nan 8.210 nan 0.000 0.448 187 A N 7.665 130.831 122.820 0.576 0.000 2.437 187 A HA 0.273 4.594 4.320 0.001 0.000 0.303 187 A C -0.552 177.265 177.584 0.387 0.000 1.324 187 A CA 0.008 52.381 52.037 0.559 0.000 0.983 187 A CB -0.304 19.059 19.000 0.605 0.000 1.142 187 A HN 0.731 nan 8.150 nan 0.000 0.541 188 F N 3.802 123.862 119.950 0.183 0.000 2.313 188 F HA 0.257 4.784 4.527 0.001 0.000 0.369 188 F C 0.791 176.707 175.800 0.193 0.000 1.109 188 F CA -0.679 57.386 58.000 0.108 0.000 1.132 188 F CB 0.786 39.805 39.000 0.032 0.000 1.291 188 F HN 0.504 nan 8.300 nan 0.000 0.496 189 T N 4.322 119.208 114.554 0.553 0.000 2.901 189 T HA 0.020 4.370 4.350 0.001 0.000 0.301 189 T C 0.829 175.710 174.700 0.301 0.000 1.012 189 T CA -0.339 61.993 62.100 0.387 0.000 1.135 189 T CB 1.004 70.148 68.868 0.460 0.000 0.936 189 T HN 0.654 nan 8.240 nan 0.000 0.539 190 Q N 3.325 123.160 119.800 0.058 0.000 2.320 190 Q HA 0.101 4.441 4.340 0.001 0.000 0.201 190 Q C -0.777 175.205 176.000 -0.030 0.000 0.910 190 Q CA 0.330 56.163 55.803 0.050 0.000 0.946 190 Q CB 0.105 28.812 28.738 -0.051 0.000 1.062 190 Q HN 0.747 nan 8.270 nan 0.000 0.503 191 Y N 0.638 121.027 120.300 0.149 0.000 2.454 191 Y HA 0.187 4.737 4.550 0.001 0.000 0.345 191 Y C -1.395 174.406 175.900 -0.166 0.000 0.970 191 Y CA -2.251 55.872 58.100 0.039 0.000 1.204 191 Y CB 1.022 39.511 38.460 0.049 0.000 1.122 191 Y HN 0.041 nan 8.280 nan 0.000 0.514 192 P HA -0.152 nan 4.420 nan 0.000 0.216 192 P C -0.461 176.652 177.300 -0.311 0.000 1.150 192 P CA 1.368 63.881 63.100 -0.978 0.000 0.837 192 P CB 0.311 31.433 31.700 -0.963 0.000 0.786 193 Q N -1.345 118.434 119.800 -0.035 0.000 2.290 193 Q HA 0.310 4.650 4.340 0.001 0.000 0.259 193 Q C -0.842 175.325 176.000 0.278 0.000 0.941 193 Q CA -0.633 55.231 55.803 0.101 0.000 0.912 193 Q CB 0.610 29.348 28.738 0.001 0.000 1.244 193 Q HN 0.127 nan 8.270 nan 0.000 0.441 194 Y N 1.540 121.930 120.300 0.150 0.000 2.465 194 Y HA 0.301 4.851 4.550 0.000 0.000 0.331 194 Y C -0.229 175.760 175.900 0.148 0.000 1.102 194 Y CA 0.409 58.591 58.100 0.137 0.000 1.358 194 Y CB 0.729 39.248 38.460 0.098 0.000 1.213 194 Y HN 0.587 nan 8.280 nan 0.000 0.525 195 S N 4.532 120.010 115.700 -0.370 0.000 2.538 195 S HA 0.258 4.728 4.470 0.001 0.000 0.288 195 S C 0.250 174.487 174.600 -0.605 0.000 1.108 195 S CA -0.934 57.084 58.200 -0.304 0.000 0.971 195 S CB 0.793 63.707 63.200 -0.477 0.000 1.041 195 S HN 0.976 nan 8.310 nan 0.000 0.483 196 C N 2.736 121.887 119.300 -0.249 0.000 2.419 196 C HA 0.010 4.470 4.460 0.001 0.000 0.283 196 C C 2.673 177.504 174.990 -0.265 0.000 1.373 196 C CA 0.935 59.840 59.018 -0.188 0.000 1.781 196 C CB -1.451 26.293 27.740 0.006 0.000 1.886 196 C HN 0.889 nan 8.230 nan 0.000 0.520 197 S N 0.366 115.876 115.700 -0.317 0.000 2.428 197 S HA -0.094 4.376 4.470 0.001 0.000 0.230 197 S C 1.833 176.198 174.600 -0.392 0.000 1.014 197 S CA 1.774 59.787 58.200 -0.311 0.000 0.957 197 S CB -0.160 62.838 63.200 -0.337 0.000 0.784 197 S HN 0.920 nan 8.310 nan 0.000 0.499 198 T N -1.574 112.624 114.554 -0.594 0.000 3.571 198 T HA 0.089 4.439 4.350 0.001 0.000 0.217 198 T C 1.821 176.150 174.700 -0.619 0.000 0.925 198 T CA 0.748 62.330 62.100 -0.864 0.000 1.376 198 T CB -1.111 66.734 68.868 -1.705 0.000 1.375 198 T HN 0.051 nan 8.240 nan 0.000 0.404 199 T N 1.763 115.937 114.554 -0.634 0.000 2.699 199 T HA 0.012 4.363 4.350 0.001 0.000 0.268 199 T C 2.174 176.728 174.700 -0.243 0.000 1.036 199 T CA 1.722 63.681 62.100 -0.235 0.000 1.147 199 T CB -1.221 67.508 68.868 -0.232 0.000 0.862 199 T HN 0.633 nan 8.240 nan 0.000 0.446 200 G N 0.479 108.985 108.800 -0.489 0.000 2.446 200 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 200 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 200 G C 1.866 176.727 174.900 -0.064 0.000 1.168 200 G CA 1.307 46.312 45.100 -0.159 0.000 0.771 200 G HN 0.535 nan 8.290 nan 0.000 0.551 201 S N -0.001 115.628 115.700 -0.119 0.000 2.368 201 S HA -0.079 4.391 4.470 0.001 0.000 0.224 201 S C 2.671 177.261 174.600 -0.017 0.000 1.029 201 S CA 1.790 59.956 58.200 -0.057 0.000 0.988 201 S CB -0.364 62.789 63.200 -0.077 0.000 0.838 201 S HN 0.299 nan 8.310 nan 0.000 0.462 202 S N 1.432 117.128 115.700 -0.006 0.000 2.368 202 S HA 0.060 4.530 4.470 0.001 0.000 0.225 202 S C 1.776 176.429 174.600 0.088 0.000 1.030 202 S CA 1.287 59.519 58.200 0.054 0.000 0.999 202 S CB -0.446 62.836 63.200 0.136 0.000 0.844 202 S HN 0.469 nan 8.310 nan 0.000 0.459 203 L N 1.632 122.919 121.223 0.107 0.000 2.056 203 L HA -0.120 4.220 4.340 0.001 0.000 0.207 203 L C 2.127 179.095 176.870 0.165 0.000 1.078 203 L CA 0.922 55.863 54.840 0.168 0.000 0.749 203 L CB -0.780 41.370 42.059 0.151 0.000 0.901 203 L HN 0.256 nan 8.230 nan 0.000 0.433 204 N N 0.573 119.344 118.700 0.118 0.000 2.205 204 N HA -0.171 4.570 4.740 0.001 0.000 0.186 204 N C 1.840 177.420 175.510 0.116 0.000 1.015 204 N CA 1.516 54.640 53.050 0.124 0.000 0.862 204 N CB -0.299 38.237 38.487 0.082 0.000 0.986 204 N HN 0.328 nan 8.380 nan 0.000 0.429 205 A N 0.937 123.794 122.820 0.063 0.000 1.933 205 A HA -0.041 4.279 4.320 0.001 0.000 0.218 205 A C 2.310 179.884 177.584 -0.017 0.000 1.175 205 A CA 0.767 52.821 52.037 0.028 0.000 0.628 205 A CB -0.509 18.499 19.000 0.013 0.000 0.814 205 A HN 0.210 nan 8.150 nan 0.000 0.444 206 I N -1.990 118.553 120.570 -0.046 0.000 2.202 206 I HA -0.233 3.937 4.170 0.001 0.000 0.242 206 I C 2.465 178.364 176.117 -0.363 0.000 1.091 206 I CA 1.669 62.849 61.300 -0.200 0.000 1.368 206 I CB -0.454 37.404 38.000 -0.236 0.000 1.058 206 I HN 0.554 nan 8.210 nan 0.000 0.410 207 Y N 2.197 122.194 120.300 -0.505 0.000 2.097 207 Y HA -0.264 4.286 4.550 0.001 0.000 0.282 207 Y C 2.709 178.454 175.900 -0.257 0.000 1.152 207 Y CA 1.600 59.337 58.100 -0.605 0.000 1.136 207 Y CB -0.335 37.921 38.460 -0.340 0.000 0.975 207 Y HN -0.042 nan 8.280 nan 0.000 0.498 208 R N -1.092 119.240 120.500 -0.280 0.000 2.096 208 R HA -0.233 4.108 4.340 0.001 0.000 0.235 208 R C 2.150 178.285 176.300 -0.275 0.000 1.127 208 R CA 1.643 57.567 56.100 -0.293 0.000 0.968 208 R CB -1.008 29.264 30.300 -0.046 0.000 0.861 208 R HN 0.528 nan 8.270 nan 0.000 0.440 209 Y N 0.679 120.791 120.300 -0.312 0.000 2.053 209 Y HA -0.333 4.217 4.550 0.000 0.000 0.277 209 Y C 1.857 177.549 175.900 -0.347 0.000 1.159 209 Y CA 1.668 59.571 58.100 -0.328 0.000 1.125 209 Y CB -0.661 37.547 38.460 -0.420 0.000 0.969 209 Y HN -0.008 nan 8.280 nan 0.000 0.492 210 Y N 0.193 120.298 120.300 -0.326 0.000 2.242 210 Y HA -0.217 4.334 4.550 0.000 0.000 0.291 210 Y C 2.779 178.460 175.900 -0.365 0.000 1.137 210 Y CA 1.553 59.461 58.100 -0.321 0.000 1.181 210 Y CB -0.595 37.797 38.460 -0.114 0.000 0.989 210 Y HN 0.305 nan 8.280 nan 0.000 0.527 211 N N 0.456 118.943 118.700 -0.356 0.000 2.188 211 N HA -0.201 4.539 4.740 0.001 0.000 0.184 211 N C 1.566 176.924 175.510 -0.254 0.000 1.018 211 N CA 1.323 54.139 53.050 -0.390 0.000 0.858 211 N CB -0.007 37.999 38.487 -0.802 0.000 0.989 211 N HN 0.519 nan 8.380 nan 0.000 0.426 212 Q N 0.181 119.815 119.800 -0.275 0.000 2.020 212 Q HA -0.045 4.295 4.340 0.001 0.000 0.198 212 Q C 2.067 177.949 176.000 -0.196 0.000 0.974 212 Q CA 0.993 56.675 55.803 -0.203 0.000 0.829 212 Q CB -0.088 28.535 28.738 -0.193 0.000 0.894 212 Q HN 0.153 nan 8.270 nan 0.000 0.433 213 V N 0.343 120.085 119.914 -0.286 0.000 2.913 213 V HA -0.054 4.066 4.120 0.001 0.000 0.260 213 V C 0.929 176.939 176.094 -0.140 0.000 1.098 213 V CA 1.507 63.665 62.300 -0.236 0.000 1.121 213 V CB -0.793 30.813 31.823 -0.361 0.000 0.714 213 V HN 0.703 nan 8.190 nan 0.000 0.487 214 G N 1.073 109.796 108.800 -0.128 0.000 2.273 214 G HA2 -0.288 3.672 3.960 0.001 0.000 0.280 214 G HA3 -0.288 3.672 3.960 0.001 0.000 0.280 214 G C 0.109 174.998 174.900 -0.017 0.000 1.047 214 G CA 0.559 45.622 45.100 -0.062 0.000 0.869 214 G HN 0.617 nan 8.290 nan 0.000 0.502 215 R N -0.293 120.217 120.500 0.017 0.000 2.686 215 R HA 0.458 4.799 4.340 0.001 0.000 0.286 215 R C 0.496 176.888 176.300 0.153 0.000 0.969 215 R CA -0.967 55.178 56.100 0.075 0.000 0.898 215 R CB 1.732 32.079 30.300 0.078 0.000 1.183 215 R HN 0.443 nan 8.270 nan 0.000 0.456 216 K N 1.911 122.365 120.400 0.090 0.000 2.237 216 K HA 0.309 4.629 4.320 0.001 0.000 0.270 216 K C -2.379 174.252 176.600 0.052 0.000 1.015 216 K CA -1.516 54.789 56.287 0.030 0.000 0.949 216 K CB 0.376 32.877 32.500 0.001 0.000 0.976 216 K HN 0.133 nan 8.250 nan 0.000 0.472 217 P HA -0.010 nan 4.420 nan 0.000 0.269 217 P C 0.134 177.493 177.300 0.099 0.000 1.209 217 P CA -0.186 62.895 63.100 -0.031 0.000 0.776 217 P CB 0.734 32.303 31.700 -0.217 0.000 0.876 218 T N -1.540 113.121 114.554 0.178 0.000 3.144 218 T HA 0.280 4.630 4.350 0.001 0.000 0.249 218 T C 0.611 175.331 174.700 0.033 0.000 1.089 218 T CA 0.025 62.180 62.100 0.092 0.000 0.989 218 T CB -0.640 68.289 68.868 0.101 0.000 0.992 218 T HN 0.416 nan 8.240 nan 0.000 0.540 219 M N -0.752 118.855 119.600 0.012 0.000 2.593 219 M HA 0.588 5.068 4.480 0.001 0.000 0.290 219 M C -0.866 175.331 176.300 -0.171 0.000 1.244 219 M CA -1.208 54.027 55.300 -0.109 0.000 0.857 219 M CB 2.351 34.831 32.600 -0.200 0.000 1.738 219 M HN -0.254 nan 8.290 nan 0.000 0.461 220 K N 1.125 121.416 120.400 -0.183 0.000 2.350 220 K HA 0.277 4.597 4.320 0.001 0.000 0.279 220 K C -1.896 174.567 176.600 -0.228 0.000 1.027 220 K CA 0.036 56.239 56.287 -0.141 0.000 0.969 220 K CB 0.674 33.120 32.500 -0.090 0.000 0.954 220 K HN 0.693 nan 8.250 nan 0.000 0.474 221 W N 1.891 123.132 121.300 -0.098 0.000 2.627 221 W HA 0.321 4.981 4.660 0.001 0.000 0.339 221 W C -0.271 176.320 176.519 0.120 0.000 1.058 221 W CA -0.108 57.229 57.345 -0.013 0.000 1.223 221 W CB 1.969 31.281 29.460 -0.245 0.000 1.389 221 W HN 0.737 nan 8.180 nan 0.000 0.541 222 S N 0.696 116.801 115.700 0.676 0.000 2.615 222 S HA 0.795 5.265 4.470 0.001 0.000 0.269 222 S C -1.132 173.893 174.600 0.708 0.000 1.161 222 S CA -0.876 57.721 58.200 0.663 0.000 0.817 222 S CB 1.996 65.483 63.200 0.478 0.000 1.131 222 S HN 0.451 nan 8.310 nan 0.000 0.467 223 T N 0.353 115.149 114.554 0.403 0.000 2.956 223 T HA 0.592 4.943 4.350 0.001 0.000 0.312 223 T C -1.688 172.921 174.700 -0.152 0.000 1.151 223 T CA -0.682 61.450 62.100 0.054 0.000 1.024 223 T CB 0.864 69.517 68.868 -0.359 0.000 1.140 223 T HN 0.673 nan 8.240 nan 0.000 0.473 224 I N 5.354 125.777 120.570 -0.246 0.000 2.361 224 I HA 0.264 4.435 4.170 0.001 0.000 0.282 224 I C 1.109 177.314 176.117 0.147 0.000 1.075 224 I CA -0.552 60.611 61.300 -0.228 0.000 1.205 224 I CB 1.003 38.668 38.000 -0.558 0.000 1.406 224 I HN 0.728 nan 8.210 nan 0.000 0.481 225 D N 6.516 127.013 120.400 0.161 0.000 2.347 225 D HA -0.039 4.602 4.640 0.001 0.000 0.213 225 D C 0.589 177.153 176.300 0.440 0.000 0.985 225 D CA 0.203 54.373 54.000 0.282 0.000 0.879 225 D CB 0.552 41.456 40.800 0.174 0.000 0.919 225 D HN 0.557 nan 8.370 nan 0.000 0.526 226 R N -0.960 119.819 120.500 0.464 0.000 2.709 226 R HA 0.339 4.679 4.340 0.001 0.000 0.270 226 R C -1.752 174.912 176.300 0.607 0.000 1.038 226 R CA -1.026 55.353 56.100 0.466 0.000 0.872 226 R CB 0.293 30.779 30.300 0.309 0.000 1.259 226 R HN 0.148 nan 8.270 nan 0.000 0.473 227 W N 0.699 122.136 121.300 0.228 0.000 1.086 227 W HA 0.250 4.911 4.660 0.001 0.000 0.321 227 W C -2.701 173.948 176.519 0.216 0.000 0.919 227 W CA -1.591 55.885 57.345 0.218 0.000 1.252 227 W CB -0.151 29.452 29.460 0.238 0.000 1.343 227 W HN 0.502 nan 8.180 nan 0.000 0.461 228 P HA -0.115 nan 4.420 nan 0.000 0.221 228 P C 1.301 178.666 177.300 0.108 0.000 1.150 228 P CA 2.268 65.393 63.100 0.042 0.000 0.800 228 P CB 0.056 31.767 31.700 0.018 0.000 0.787 229 T N -5.471 109.186 114.554 0.173 0.000 3.129 229 T HA 0.050 4.400 4.350 0.001 0.000 0.267 229 T C 0.747 175.579 174.700 0.219 0.000 1.018 229 T CA -0.483 61.711 62.100 0.155 0.000 0.903 229 T CB -1.096 67.828 68.868 0.093 0.000 1.067 229 T HN 0.096 nan 8.240 nan 0.000 0.549 230 H N 2.865 122.084 119.070 0.247 0.000 3.157 230 H HA -0.067 4.490 4.556 0.000 0.000 0.299 230 H C 1.541 176.956 175.328 0.145 0.000 0.961 230 H CA 1.273 57.456 56.048 0.224 0.000 1.428 230 H CB 0.560 30.496 29.762 0.290 0.000 1.459 230 H HN 0.730 nan 8.280 nan 0.000 0.566 231 H N 3.460 122.427 119.070 -0.172 0.000 2.426 231 H HA -0.137 4.419 4.556 0.001 0.000 0.298 231 H C 1.685 177.082 175.328 0.115 0.000 1.107 231 H CA 1.771 57.800 56.048 -0.032 0.000 1.298 231 H CB -0.039 29.661 29.762 -0.104 0.000 1.377 231 H HN 0.541 nan 8.280 nan 0.000 0.519 232 L N -0.473 120.586 121.223 -0.274 0.000 2.240 232 L HA -0.015 4.325 4.340 0.001 0.000 0.211 232 L C 2.336 179.300 176.870 0.157 0.000 1.106 232 L CA 0.512 55.342 54.840 -0.017 0.000 0.793 232 L CB -0.198 41.843 42.059 -0.031 0.000 0.927 232 L HN 0.313 nan 8.230 nan 0.000 0.446 233 L N 0.135 121.547 121.223 0.315 0.000 2.027 233 L HA -0.171 4.169 4.340 0.001 0.000 0.206 233 L C 2.385 179.404 176.870 0.249 0.000 1.074 233 L CA 1.745 56.786 54.840 0.335 0.000 0.745 233 L CB -0.388 41.978 42.059 0.512 0.000 0.898 233 L HN 0.032 nan 8.230 nan 0.000 0.433 234 I N -0.122 120.599 120.570 0.252 0.000 2.208 234 I HA -0.316 3.854 4.170 0.001 0.000 0.245 234 I C 2.582 178.797 176.117 0.163 0.000 1.097 234 I CA 1.682 63.114 61.300 0.219 0.000 1.363 234 I CB -1.426 36.663 38.000 0.149 0.000 1.051 234 I HN 0.573 nan 8.210 nan 0.000 0.413 235 Q N 0.261 120.132 119.800 0.118 0.000 2.084 235 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 235 Q C 2.592 178.605 176.000 0.022 0.000 0.978 235 Q CA 2.209 58.059 55.803 0.079 0.000 0.844 235 Q CB 0.028 28.815 28.738 0.083 0.000 0.898 235 Q HN 0.527 nan 8.270 nan 0.000 0.426 236 C N -0.205 119.062 119.300 -0.054 0.000 2.429 236 C HA -0.109 4.351 4.460 0.001 0.000 0.277 236 C C 2.276 177.026 174.990 -0.399 0.000 1.262 236 C CA 0.536 59.383 59.018 -0.285 0.000 1.733 236 C CB -1.261 26.239 27.740 -0.401 0.000 2.010 236 C HN 0.559 nan 8.230 nan 0.000 0.483 237 F N 1.421 121.284 119.950 -0.146 0.000 2.113 237 F HA -0.114 4.414 4.527 0.001 0.000 0.297 237 F C 2.608 178.407 175.800 -0.002 0.000 1.103 237 F CA 1.287 59.240 58.000 -0.079 0.000 1.248 237 F CB -0.489 38.514 39.000 0.004 0.000 0.999 237 F HN 0.152 nan 8.300 nan 0.000 0.475 238 A N 0.021 122.962 122.820 0.201 0.000 1.877 238 A HA -0.212 4.108 4.320 0.001 0.000 0.216 238 A C 1.891 179.539 177.584 0.107 0.000 1.186 238 A CA 2.124 54.237 52.037 0.127 0.000 0.620 238 A CB -0.846 18.203 19.000 0.081 0.000 0.822 238 A HN 0.268 nan 8.150 nan 0.000 0.443 239 D N -0.767 119.689 120.400 0.093 0.000 2.092 239 D HA -0.150 4.491 4.640 0.001 0.000 0.193 239 D C 1.740 178.152 176.300 0.187 0.000 0.994 239 D CA 1.556 55.623 54.000 0.111 0.000 0.828 239 D CB -0.714 40.148 40.800 0.104 0.000 0.963 239 D HN 0.725 nan 8.370 nan 0.000 0.450 240 H N -0.092 118.997 119.070 0.031 0.000 2.422 240 H HA -0.035 4.522 4.556 0.000 0.000 0.298 240 H C 2.277 177.635 175.328 0.049 0.000 1.098 240 H CA 0.349 56.412 56.048 0.026 0.000 1.315 240 H CB 0.207 29.972 29.762 0.006 0.000 1.382 240 H HN 0.150 nan 8.280 nan 0.000 0.523 241 I N 0.583 121.269 120.570 0.193 0.000 2.286 241 I HA -0.244 3.927 4.170 0.001 0.000 0.245 241 I C 2.144 178.309 176.117 0.080 0.000 1.104 241 I CA 0.788 62.153 61.300 0.108 0.000 1.397 241 I CB -0.071 37.967 38.000 0.063 0.000 1.072 241 I HN 0.220 nan 8.210 nan 0.000 0.417 242 L N 1.089 122.355 121.223 0.071 0.000 2.093 242 L HA -0.202 4.138 4.340 0.001 0.000 0.208 242 L C 2.654 179.532 176.870 0.014 0.000 1.085 242 L CA 1.324 56.187 54.840 0.038 0.000 0.755 242 L CB -0.571 41.506 42.059 0.031 0.000 0.904 242 L HN 0.315 nan 8.230 nan 0.000 0.435 243 K N -0.828 119.584 120.400 0.021 0.000 2.211 243 K HA -0.129 4.191 4.320 0.001 0.000 0.203 243 K C 1.617 178.191 176.600 -0.043 0.000 1.050 243 K CA 0.868 57.131 56.287 -0.040 0.000 0.945 243 K CB -0.141 32.359 32.500 -0.001 0.000 0.732 243 K HN 0.198 nan 8.250 nan 0.000 0.451 244 E N 1.713 121.957 120.200 0.073 0.000 2.046 244 E HA -0.017 4.333 4.350 0.001 0.000 0.190 244 E C 2.222 178.974 176.600 0.253 0.000 0.982 244 E CA 0.702 57.195 56.400 0.154 0.000 0.800 244 E CB -0.319 29.485 29.700 0.172 0.000 0.756 244 E HN 0.292 nan 8.360 nan 0.000 0.449 245 L N 1.355 122.726 121.223 0.247 0.000 2.081 245 L HA -0.226 4.115 4.340 0.001 0.000 0.212 245 L C 1.864 178.854 176.870 0.200 0.000 1.080 245 L CA 1.182 56.189 54.840 0.277 0.000 0.754 245 L CB -0.381 41.715 42.059 0.063 0.000 0.893 245 L HN 0.022 nan 8.230 nan 0.000 0.433 246 D N -1.228 119.170 120.400 -0.004 0.000 2.263 246 D HA -0.153 4.487 4.640 0.001 0.000 0.208 246 D C 1.784 177.986 176.300 -0.163 0.000 0.971 246 D CA 1.073 54.991 54.000 -0.137 0.000 0.867 246 D CB -0.067 40.555 40.800 -0.296 0.000 0.929 246 D HN 0.391 nan 8.370 nan 0.000 0.492 247 H N -1.399 117.714 119.070 0.071 0.000 2.551 247 H HA 0.145 4.701 4.556 0.000 0.000 0.271 247 H C 0.259 175.542 175.328 -0.074 0.000 0.984 247 H CA -0.181 55.850 56.048 -0.028 0.000 1.164 247 H CB -0.123 29.571 29.762 -0.113 0.000 1.437 247 H HN 0.090 nan 8.280 nan 0.000 0.550 248 F N 1.286 121.276 119.950 0.068 0.000 2.370 248 F HA 0.297 4.824 4.527 0.000 0.000 0.319 248 F C -1.573 174.244 175.800 0.029 0.000 1.129 248 F CA -2.417 55.607 58.000 0.039 0.000 1.109 248 F CB 0.246 39.255 39.000 0.016 0.000 1.262 248 F HN -0.124 nan 8.300 nan 0.000 0.534 249 P HA -0.010 nan 4.420 nan 0.000 0.267 249 P C 0.609 177.979 177.300 0.117 0.000 1.205 249 P CA 0.055 63.231 63.100 0.126 0.000 0.765 249 P CB 0.560 32.320 31.700 0.100 0.000 0.828 250 L N 4.122 125.393 121.223 0.078 0.000 2.021 250 L HA -0.245 4.095 4.340 0.001 0.000 0.215 250 L C 2.054 178.948 176.870 0.039 0.000 1.074 250 L CA 2.049 56.922 54.840 0.055 0.000 0.760 250 L CB -0.849 41.232 42.059 0.037 0.000 0.889 250 L HN 0.476 nan 8.230 nan 0.000 0.433 251 E N -1.194 119.027 120.200 0.035 0.000 2.478 251 E HA -0.169 4.182 4.350 0.001 0.000 0.198 251 E C 1.314 177.924 176.600 0.016 0.000 1.046 251 E CA 0.756 57.169 56.400 0.021 0.000 0.870 251 E CB -0.253 29.458 29.700 0.019 0.000 0.818 251 E HN 0.441 nan 8.360 nan 0.000 0.527 252 K N 0.714 121.132 120.400 0.030 0.000 2.354 252 K HA 0.135 4.456 4.320 0.001 0.000 0.194 252 K C 1.932 178.503 176.600 -0.048 0.000 1.038 252 K CA 0.041 56.336 56.287 0.013 0.000 1.052 252 K CB 0.252 32.791 32.500 0.066 0.000 0.861 252 K HN 0.143 nan 8.250 nan 0.000 0.535 253 R N 1.724 122.204 120.500 -0.034 0.000 2.096 253 R HA -0.147 4.193 4.340 0.001 0.000 0.240 253 R C 1.954 178.176 176.300 -0.129 0.000 1.139 253 R CA 2.370 58.410 56.100 -0.100 0.000 0.952 253 R CB -0.175 30.109 30.300 -0.027 0.000 0.854 253 R HN 0.163 nan 8.270 nan 0.000 0.436 254 S N -0.639 115.018 115.700 -0.071 0.000 2.555 254 S HA -0.098 4.372 4.470 0.001 0.000 0.230 254 S C 1.562 176.120 174.600 -0.070 0.000 0.978 254 S CA 1.096 59.261 58.200 -0.058 0.000 0.934 254 S CB 0.158 63.341 63.200 -0.029 0.000 0.766 254 S HN 0.549 nan 8.310 nan 0.000 0.533 255 E N 0.772 120.916 120.200 -0.093 0.000 2.460 255 E HA 0.136 4.486 4.350 0.001 0.000 0.200 255 E C -0.397 176.120 176.600 -0.139 0.000 1.011 255 E CA -0.102 56.245 56.400 -0.089 0.000 0.912 255 E CB 0.485 30.147 29.700 -0.063 0.000 0.953 255 E HN 0.361 nan 8.360 nan 0.000 0.494 256 V N 2.308 122.076 119.914 -0.242 0.000 2.617 256 V HA -0.055 4.065 4.120 0.001 0.000 0.304 256 V C 0.383 176.346 176.094 -0.217 0.000 1.040 256 V CA 0.251 62.333 62.300 -0.364 0.000 1.149 256 V CB 1.079 32.456 31.823 -0.744 0.000 0.914 256 V HN 0.081 nan 8.190 nan 0.000 0.487 257 V N 7.625 127.442 119.914 -0.162 0.000 2.394 257 V HA 0.487 4.607 4.120 0.001 0.000 0.282 257 V C 0.009 176.048 176.094 -0.091 0.000 1.031 257 V CA -0.449 61.798 62.300 -0.088 0.000 0.881 257 V CB 1.261 33.049 31.823 -0.058 0.000 0.982 257 V HN 0.700 nan 8.190 nan 0.000 0.451 258 I N 7.838 128.374 120.570 -0.057 0.000 2.301 258 I HA 0.297 4.467 4.170 0.001 0.000 0.292 258 I C -0.261 175.785 176.117 -0.119 0.000 1.046 258 I CA -0.086 61.130 61.300 -0.140 0.000 1.282 258 I CB 0.883 38.782 38.000 -0.168 0.000 1.409 258 I HN 0.417 nan 8.210 nan 0.000 0.484 259 L N 7.349 128.466 121.223 -0.177 0.000 2.277 259 L HA 0.401 4.741 4.340 0.001 0.000 0.284 259 L C -0.616 176.130 176.870 -0.205 0.000 1.028 259 L CA -0.538 54.240 54.840 -0.103 0.000 0.835 259 L CB 0.533 42.552 42.059 -0.066 0.000 1.215 259 L HN 0.410 nan 8.230 nan 0.000 0.425 260 F N 1.711 121.585 119.950 -0.126 0.000 2.472 260 F HA 0.114 4.641 4.527 0.000 0.000 0.364 260 F C 0.995 176.628 175.800 -0.279 0.000 1.090 260 F CA 0.193 58.056 58.000 -0.228 0.000 1.188 260 F CB 1.202 40.021 39.000 -0.302 0.000 1.105 260 F HN 0.317 nan 8.300 nan 0.000 0.536 261 S N 3.809 119.445 115.700 -0.107 0.000 2.528 261 S HA 0.754 5.224 4.470 0.001 0.000 0.303 261 S C -0.265 174.229 174.600 -0.178 0.000 1.123 261 S CA -0.623 57.500 58.200 -0.129 0.000 1.138 261 S CB -0.126 63.065 63.200 -0.015 0.000 0.984 261 S HN 0.727 nan 8.310 nan 0.000 0.474 262 A N 4.134 126.794 122.820 -0.266 0.000 2.293 262 A HA 0.509 4.829 4.320 0.001 0.000 0.302 262 A C 0.101 177.804 177.584 0.198 0.000 1.119 262 A CA -0.589 51.356 52.037 -0.153 0.000 0.823 262 A CB 0.268 19.133 19.000 -0.224 0.000 1.097 262 A HN 0.924 nan 8.150 nan 0.000 0.491 263 H N 1.137 120.315 119.070 0.181 0.000 2.928 263 H HA 0.137 4.694 4.556 0.001 0.000 0.338 263 H C 0.696 176.399 175.328 0.625 0.000 1.047 263 H CA 1.222 57.511 56.048 0.402 0.000 1.435 263 H CB 0.913 30.927 29.762 0.419 0.000 1.428 263 H HN 0.672 nan 8.280 nan 0.000 0.590 264 S N 3.223 119.367 115.700 0.741 0.000 2.655 264 S HA 0.504 4.974 4.470 0.001 0.000 0.265 264 S C -0.282 174.740 174.600 0.704 0.000 1.240 264 S CA -0.739 57.913 58.200 0.754 0.000 0.986 264 S CB 0.419 64.020 63.200 0.668 0.000 0.985 264 S HN 0.554 nan 8.310 nan 0.000 0.562 265 L N 2.605 124.000 121.223 0.286 0.000 2.422 265 L HA 0.503 4.843 4.340 0.001 0.000 0.264 265 L C -2.317 174.124 176.870 -0.716 0.000 0.984 265 L CA -2.391 52.287 54.840 -0.271 0.000 0.819 265 L CB 2.644 44.533 42.059 -0.282 0.000 1.330 265 L HN 0.541 nan 8.230 nan 0.000 0.410 266 P HA 0.027 nan 4.420 nan 0.000 0.269 266 P C 0.311 177.258 177.300 -0.587 0.000 1.209 266 P CA -0.355 61.905 63.100 -1.400 0.000 0.776 266 P CB 0.735 31.695 31.700 -1.234 0.000 0.876 267 M N 1.802 121.183 119.600 -0.365 0.000 2.446 267 M HA -0.100 4.381 4.480 0.001 0.000 0.263 267 M C 1.900 178.089 176.300 -0.184 0.000 1.066 267 M CA 1.668 56.843 55.300 -0.207 0.000 1.087 267 M CB -1.804 30.730 32.600 -0.109 0.000 1.406 267 M HN 0.450 nan 8.290 nan 0.000 0.459 268 S N -0.776 114.797 115.700 -0.211 0.000 2.447 268 S HA -0.024 4.446 4.470 0.001 0.000 0.233 268 S C 1.852 176.356 174.600 -0.159 0.000 1.006 268 S CA 0.751 58.859 58.200 -0.155 0.000 0.957 268 S CB -0.601 62.516 63.200 -0.139 0.000 0.773 268 S HN 0.282 nan 8.310 nan 0.000 0.507 269 V N 1.064 120.848 119.914 -0.217 0.000 2.492 269 V HA 0.009 4.129 4.120 0.001 0.000 0.241 269 V C 2.579 178.589 176.094 -0.141 0.000 1.041 269 V CA 1.011 63.199 62.300 -0.186 0.000 1.057 269 V CB -0.492 31.181 31.823 -0.250 0.000 0.711 269 V HN 0.407 nan 8.190 nan 0.000 0.468 270 V N 0.958 120.774 119.914 -0.163 0.000 2.287 270 V HA -0.248 3.873 4.120 0.001 0.000 0.248 270 V C 2.150 178.194 176.094 -0.084 0.000 1.053 270 V CA 2.114 64.342 62.300 -0.119 0.000 1.027 270 V CB -0.856 30.874 31.823 -0.155 0.000 0.646 270 V HN 0.557 nan 8.190 nan 0.000 0.447 271 N N 0.468 119.114 118.700 -0.089 0.000 2.573 271 N HA -0.121 4.620 4.740 0.001 0.000 0.187 271 N C 1.759 177.240 175.510 -0.048 0.000 1.107 271 N CA 0.885 53.898 53.050 -0.062 0.000 0.918 271 N CB -0.307 38.144 38.487 -0.061 0.000 0.966 271 N HN 0.709 nan 8.380 nan 0.000 0.448 272 R N -0.831 119.638 120.500 -0.051 0.000 2.334 272 R HA 0.228 4.568 4.340 0.001 0.000 0.216 272 R C 0.739 177.026 176.300 -0.021 0.000 0.905 272 R CA 0.793 56.871 56.100 -0.036 0.000 1.064 272 R CB 0.236 30.512 30.300 -0.040 0.000 1.046 272 R HN -0.051 nan 8.270 nan 0.000 0.508 273 G N 1.112 109.901 108.800 -0.019 0.000 2.141 273 G HA2 -0.242 3.718 3.960 0.001 0.000 0.164 273 G HA3 -0.242 3.718 3.960 0.001 0.000 0.164 273 G C -0.797 174.112 174.900 0.016 0.000 1.009 273 G CA -0.131 44.967 45.100 -0.003 0.000 0.677 273 G HN 0.477 nan 8.290 nan 0.000 0.508 274 D N 0.370 120.779 120.400 0.015 0.000 2.493 274 D HA 0.396 5.036 4.640 0.001 0.000 0.240 274 D C -0.235 176.125 176.300 0.101 0.000 1.142 274 D CA -0.792 53.242 54.000 0.058 0.000 0.872 274 D CB 1.090 41.902 40.800 0.020 0.000 1.173 274 D HN 0.123 nan 8.370 nan 0.000 0.467 275 P HA -0.094 nan 4.420 nan 0.000 0.223 275 P C 0.711 178.130 177.300 0.200 0.000 1.151 275 P CA 0.536 63.732 63.100 0.160 0.000 0.787 275 P CB 0.010 31.813 31.700 0.172 0.000 0.788 276 Y N 1.974 122.328 120.300 0.091 0.000 2.040 276 Y HA -0.224 4.326 4.550 0.000 0.000 0.275 276 Y C -0.755 175.208 175.900 0.105 0.000 1.171 276 Y CA 2.466 60.613 58.100 0.079 0.000 1.123 276 Y CB -1.907 36.568 38.460 0.025 0.000 0.963 276 Y HN 0.068 nan 8.280 nan 0.000 0.493 277 P HA -0.230 nan 4.420 nan 0.000 0.216 277 P C 1.548 178.876 177.300 0.046 0.000 1.153 277 P CA 2.299 65.415 63.100 0.028 0.000 0.858 277 P CB -0.201 31.482 31.700 -0.029 0.000 0.789 278 Q N 0.076 119.893 119.800 0.029 0.000 2.167 278 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 278 Q C 1.835 177.829 176.000 -0.010 0.000 0.970 278 Q CA 1.574 57.389 55.803 0.020 0.000 0.855 278 Q CB -0.259 28.494 28.738 0.025 0.000 0.911 278 Q HN 0.389 nan 8.270 nan 0.000 0.438 279 E N -0.368 119.818 120.200 -0.023 0.000 2.107 279 E HA -0.088 4.262 4.350 0.001 0.000 0.191 279 E C 2.183 178.713 176.600 -0.117 0.000 0.982 279 E CA 1.025 57.402 56.400 -0.039 0.000 0.809 279 E CB 0.037 29.743 29.700 0.010 0.000 0.756 279 E HN 0.138 nan 8.360 nan 0.000 0.459 280 V N 1.585 121.372 119.914 -0.213 0.000 2.343 280 V HA -0.238 3.882 4.120 0.001 0.000 0.247 280 V C 2.367 178.314 176.094 -0.245 0.000 1.051 280 V CA 1.831 63.958 62.300 -0.288 0.000 1.036 280 V CB -0.421 31.162 31.823 -0.400 0.000 0.654 280 V HN 0.195 nan 8.190 nan 0.000 0.451 281 S N -0.089 115.526 115.700 -0.142 0.000 2.399 281 S HA -0.174 4.296 4.470 0.001 0.000 0.231 281 S C 2.173 176.683 174.600 -0.151 0.000 1.022 281 S CA 1.376 59.501 58.200 -0.125 0.000 0.983 281 S CB -0.405 62.785 63.200 -0.015 0.000 0.803 281 S HN 0.667 nan 8.310 nan 0.000 0.480 282 A N 1.186 123.938 122.820 -0.113 0.000 1.898 282 A HA -0.089 4.231 4.320 0.001 0.000 0.216 282 A C 2.325 179.827 177.584 -0.137 0.000 1.181 282 A CA 1.958 53.941 52.037 -0.090 0.000 0.620 282 A CB -1.296 17.679 19.000 -0.042 0.000 0.819 282 A HN 0.473 nan 8.150 nan 0.000 0.442 283 T N -0.149 114.301 114.554 -0.174 0.000 2.684 283 T HA -0.140 4.210 4.350 0.001 0.000 0.267 283 T C 1.892 176.374 174.700 -0.363 0.000 1.036 283 T CA 1.656 63.632 62.100 -0.206 0.000 1.148 283 T CB -0.534 68.197 68.868 -0.228 0.000 0.863 283 T HN 0.145 nan 8.240 nan 0.000 0.436 284 V N 1.582 121.170 119.914 -0.543 0.000 2.287 284 V HA -0.228 3.892 4.120 0.001 0.000 0.248 284 V C 2.696 178.362 176.094 -0.713 0.000 1.053 284 V CA 2.005 63.735 62.300 -0.950 0.000 1.027 284 V CB -0.756 30.468 31.823 -0.997 0.000 0.646 284 V HN 0.374 nan 8.190 nan 0.000 0.447 285 Q N 0.265 119.822 119.800 -0.406 0.000 2.061 285 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 285 Q C 2.218 178.093 176.000 -0.208 0.000 0.984 285 Q CA 1.814 57.475 55.803 -0.236 0.000 0.846 285 Q CB -0.317 28.365 28.738 -0.093 0.000 0.902 285 Q HN 0.384 nan 8.270 nan 0.000 0.421 286 K N -0.477 119.818 120.400 -0.174 0.000 2.032 286 K HA -0.081 4.240 4.320 0.001 0.000 0.209 286 K C 2.121 178.638 176.600 -0.138 0.000 1.048 286 K CA 1.403 57.623 56.287 -0.112 0.000 0.927 286 K CB -0.780 31.690 32.500 -0.051 0.000 0.712 286 K HN 0.197 nan 8.250 nan 0.000 0.441 287 V N 1.622 121.433 119.914 -0.172 0.000 2.332 287 V HA -0.269 3.851 4.120 0.001 0.000 0.248 287 V C 2.472 178.466 176.094 -0.168 0.000 1.055 287 V CA 1.518 63.754 62.300 -0.108 0.000 1.038 287 V CB -0.392 31.398 31.823 -0.056 0.000 0.651 287 V HN 0.264 nan 8.190 nan 0.000 0.450 288 M N -0.488 118.918 119.600 -0.324 0.000 2.175 288 M HA -0.118 4.363 4.480 0.001 0.000 0.264 288 M C 2.172 178.054 176.300 -0.697 0.000 1.063 288 M CA 1.467 56.500 55.300 -0.445 0.000 1.119 288 M CB -1.196 31.062 32.600 -0.569 0.000 1.377 288 M HN 0.478 nan 8.290 nan 0.000 0.415 289 E N -0.479 119.370 120.200 -0.585 0.000 2.110 289 E HA -0.200 4.150 4.350 0.001 0.000 0.193 289 E C 2.186 178.602 176.600 -0.307 0.000 0.988 289 E CA 0.841 56.923 56.400 -0.531 0.000 0.804 289 E CB -0.266 29.323 29.700 -0.184 0.000 0.745 289 E HN 0.448 nan 8.360 nan 0.000 0.458 290 R N 0.946 121.328 120.500 -0.197 0.000 2.096 290 R HA -0.076 4.264 4.340 0.001 0.000 0.235 290 R C 2.120 178.359 176.300 -0.102 0.000 1.127 290 R CA 0.848 56.888 56.100 -0.100 0.000 0.968 290 R CB -0.049 30.227 30.300 -0.039 0.000 0.861 290 R HN 0.169 nan 8.270 nan 0.000 0.440 291 L N 0.659 121.796 121.223 -0.143 0.000 2.610 291 L HA 0.050 4.390 4.340 0.001 0.000 0.232 291 L C 0.035 176.834 176.870 -0.118 0.000 1.149 291 L CA 0.538 55.318 54.840 -0.099 0.000 0.872 291 L CB -0.143 41.872 42.059 -0.073 0.000 0.992 291 L HN 0.281 nan 8.230 nan 0.000 0.447 292 E N -1.209 118.861 120.200 -0.217 0.000 2.513 292 E HA -0.286 4.064 4.350 0.001 0.000 0.257 292 E C -0.687 175.911 176.600 -0.004 0.000 1.098 292 E CA 0.315 56.636 56.400 -0.132 0.000 0.752 292 E CB -1.692 28.006 29.700 -0.003 0.000 1.324 292 E HN 0.448 nan 8.360 nan 0.000 0.403 293 Y N -3.568 116.762 120.300 0.049 0.000 3.305 293 Y HA -0.384 4.167 4.550 0.000 0.000 0.212 293 Y C 2.060 178.000 175.900 0.067 0.000 1.248 293 Y CA 0.618 58.769 58.100 0.085 0.000 1.359 293 Y CB -2.897 35.616 38.460 0.090 0.000 1.407 293 Y HN 0.664 nan 8.280 nan 0.000 0.572 294 C N -2.587 116.779 119.300 0.109 0.000 2.419 294 C HA 0.085 4.545 4.460 0.001 0.000 0.283 294 C C 1.011 176.041 174.990 0.067 0.000 1.373 294 C CA 0.757 59.818 59.018 0.072 0.000 1.781 294 C CB -0.957 26.799 27.740 0.027 0.000 1.886 294 C HN 0.637 nan 8.230 nan 0.000 0.520 295 N N -0.050 118.709 118.700 0.099 0.000 2.416 295 N HA 0.606 5.346 4.740 0.001 0.000 0.276 295 N C -2.978 172.624 175.510 0.153 0.000 1.261 295 N CA -0.950 52.144 53.050 0.072 0.000 0.790 295 N CB 1.666 40.156 38.487 0.005 0.000 1.554 295 N HN 0.100 nan 8.380 nan 0.000 0.481 296 P HA 0.202 nan 4.420 nan 0.000 0.274 296 P C -1.551 175.827 177.300 0.129 0.000 1.237 296 P CA 0.070 63.209 63.100 0.067 0.000 0.793 296 P CB 0.546 32.233 31.700 -0.022 0.000 0.977 297 Y N -1.525 118.817 120.300 0.070 0.000 2.638 297 Y HA 0.799 5.350 4.550 0.001 0.000 0.335 297 Y C -1.048 174.905 175.900 0.088 0.000 1.155 297 Y CA -1.308 56.852 58.100 0.100 0.000 1.046 297 Y CB 1.226 39.843 38.460 0.261 0.000 1.303 297 Y HN 0.152 nan 8.280 nan 0.000 0.460 298 R N 1.584 122.215 120.500 0.218 0.000 2.707 298 R HA 0.512 4.852 4.340 0.001 0.000 0.272 298 R C -2.164 174.267 176.300 0.218 0.000 1.011 298 R CA -1.068 55.094 56.100 0.104 0.000 0.893 298 R CB 2.395 32.693 30.300 -0.002 0.000 1.233 298 R HN 0.887 nan 8.270 nan 0.000 0.464 299 L N 3.188 124.459 121.223 0.079 0.000 2.276 299 L HA 0.525 4.866 4.340 0.001 0.000 0.286 299 L C -0.530 176.135 176.870 -0.342 0.000 1.024 299 L CA -0.516 54.237 54.840 -0.144 0.000 0.826 299 L CB 1.138 43.057 42.059 -0.234 0.000 1.211 299 L HN 0.440 nan 8.230 nan 0.000 0.422 300 V N 1.664 121.318 119.914 -0.433 0.000 3.166 300 V HA 0.774 4.894 4.120 0.001 0.000 0.317 300 V C -1.244 174.454 176.094 -0.661 0.000 1.136 300 V CA -0.854 61.215 62.300 -0.386 0.000 1.035 300 V CB 1.638 33.401 31.823 -0.100 0.000 1.110 300 V HN 0.765 nan 8.190 nan 0.000 0.450 301 W N 0.753 122.102 121.300 0.081 0.000 2.785 301 W HA 0.766 5.426 4.660 -0.000 0.000 0.333 301 W C -0.188 176.385 176.519 0.090 0.000 1.062 301 W CA -0.428 56.984 57.345 0.112 0.000 1.233 301 W CB 1.421 30.983 29.460 0.170 0.000 1.413 301 W HN 0.905 nan 8.180 nan 0.000 0.489 302 Q N 0.097 120.054 119.800 0.262 0.000 2.306 302 Q HA 0.707 5.048 4.340 0.001 0.000 0.269 302 Q C 0.245 176.235 176.000 -0.016 0.000 1.053 302 Q CA -0.695 55.205 55.803 0.162 0.000 0.879 302 Q CB 1.693 30.555 28.738 0.206 0.000 1.344 302 Q HN 0.493 nan 8.270 nan 0.000 0.464 303 S N -1.004 114.663 115.700 -0.055 0.000 3.586 303 S HA -0.218 4.252 4.470 0.001 0.000 0.309 303 S C -0.262 174.131 174.600 -0.344 0.000 1.195 303 S CA 1.346 59.417 58.200 -0.215 0.000 0.895 303 S CB -2.166 60.753 63.200 -0.469 0.000 0.983 303 S HN 0.795 nan 8.310 nan 0.000 0.563 304 K N 0.701 120.827 120.400 -0.457 0.000 2.414 304 K HA 0.396 4.716 4.320 0.001 0.000 0.272 304 K C 0.164 176.202 176.600 -0.937 0.000 0.993 304 K CA -0.114 55.431 56.287 -1.237 0.000 0.964 304 K CB 0.564 32.413 32.500 -1.085 0.000 0.925 304 K HN 0.364 nan 8.250 nan 0.000 0.487 305 V N -1.106 118.134 119.914 -1.123 0.000 2.588 305 V HA 0.834 4.955 4.120 0.001 0.000 0.304 305 V C 0.235 176.268 176.094 -0.101 0.000 1.042 305 V CA 0.186 62.304 62.300 -0.303 0.000 0.877 305 V CB 0.445 32.306 31.823 0.063 0.000 0.996 305 V HN 1.306 nan 8.190 nan 0.000 0.425 306 G N 4.974 113.753 108.800 -0.036 0.000 2.631 306 G HA2 -0.015 3.946 3.960 0.001 0.000 0.504 306 G HA3 -0.015 3.946 3.960 0.001 0.000 0.504 306 G C -1.755 173.167 174.900 0.037 0.000 1.306 306 G CA -0.050 45.088 45.100 0.062 0.000 0.897 306 G HN 0.899 nan 8.290 nan 0.000 0.520 307 P HA 0.226 nan 4.420 nan 0.000 0.259 307 P C 0.975 178.357 177.300 0.135 0.000 1.233 307 P CA 0.170 63.317 63.100 0.079 0.000 0.827 307 P CB 0.206 31.942 31.700 0.060 0.000 1.154 308 M N 0.964 120.695 119.600 0.217 0.000 2.184 308 M HA 0.198 4.678 4.480 0.001 0.000 0.296 308 M C -2.133 174.366 176.300 0.333 0.000 1.165 308 M CA -1.767 53.674 55.300 0.234 0.000 1.175 308 M CB -1.295 31.437 32.600 0.220 0.000 1.392 308 M HN -0.205 nan 8.290 nan 0.000 0.457 309 P HA 0.141 nan 4.420 nan 0.000 0.276 309 P C -1.306 176.161 177.300 0.277 0.000 1.230 309 P CA 0.095 63.321 63.100 0.210 0.000 0.776 309 P CB 0.443 32.194 31.700 0.085 0.000 0.888 310 W N 2.205 123.501 121.300 -0.006 0.000 2.902 310 W HA 0.463 5.123 4.660 0.000 0.000 0.346 310 W C -0.567 175.913 176.519 -0.065 0.000 1.139 310 W CA -0.748 56.584 57.345 -0.022 0.000 1.139 310 W CB 0.613 30.084 29.460 0.018 0.000 1.439 310 W HN 0.144 nan 8.180 nan 0.000 0.558 311 L N 2.551 123.815 121.223 0.068 0.000 2.462 311 L HA 0.564 4.904 4.340 0.001 0.000 0.272 311 L C 0.265 177.086 176.870 -0.081 0.000 1.166 311 L CA 0.790 55.523 54.840 -0.177 0.000 0.880 311 L CB -0.494 41.218 42.059 -0.578 0.000 1.142 311 L HN 0.442 nan 8.230 nan 0.000 0.473 312 G N 4.945 113.754 108.800 0.016 0.000 2.932 312 G HA2 0.683 4.644 3.960 0.001 0.000 0.283 312 G HA3 0.683 4.644 3.960 0.001 0.000 0.283 312 G C -2.831 172.267 174.900 0.330 0.000 1.336 312 G CA -1.034 44.190 45.100 0.206 0.000 1.056 312 G HN 0.614 nan 8.290 nan 0.000 0.522 313 P HA 0.182 nan 4.420 nan 0.000 0.274 313 P C -0.726 176.725 177.300 0.253 0.000 1.231 313 P CA -0.136 63.093 63.100 0.214 0.000 0.790 313 P CB 1.098 32.875 31.700 0.128 0.000 0.951 314 Q N 0.092 119.982 119.800 0.150 0.000 2.373 314 Q HA 0.113 4.454 4.340 0.001 0.000 0.255 314 Q C 1.412 177.427 176.000 0.024 0.000 0.980 314 Q CA -0.002 55.870 55.803 0.114 0.000 0.882 314 Q CB 0.222 28.989 28.738 0.048 0.000 1.249 314 Q HN 0.416 nan 8.270 nan 0.000 0.438 315 T N 1.357 115.913 114.554 0.002 0.000 2.720 315 T HA -0.188 4.162 4.350 0.001 0.000 0.268 315 T C 1.186 175.683 174.700 -0.339 0.000 1.037 315 T CA 1.741 63.776 62.100 -0.108 0.000 1.144 315 T CB -0.242 68.618 68.868 -0.012 0.000 0.864 315 T HN 0.781 nan 8.240 nan 0.000 0.444 316 D N 1.861 121.953 120.400 -0.514 0.000 2.117 316 D HA -0.145 4.496 4.640 0.001 0.000 0.197 316 D C 1.811 177.935 176.300 -0.292 0.000 0.987 316 D CA 1.185 54.783 54.000 -0.670 0.000 0.829 316 D CB -0.613 39.860 40.800 -0.545 0.000 0.961 316 D HN 0.491 nan 8.370 nan 0.000 0.460 317 E N 0.563 120.668 120.200 -0.158 0.000 2.072 317 E HA -0.097 4.254 4.350 0.001 0.000 0.191 317 E C 2.243 178.797 176.600 -0.076 0.000 0.985 317 E CA 1.275 57.625 56.400 -0.083 0.000 0.801 317 E CB -0.122 29.559 29.700 -0.032 0.000 0.750 317 E HN 0.202 nan 8.360 nan 0.000 0.452 318 S N 1.184 116.836 115.700 -0.079 0.000 2.368 318 S HA -0.131 4.340 4.470 0.001 0.000 0.225 318 S C 2.109 176.664 174.600 -0.075 0.000 1.030 318 S CA 0.847 59.011 58.200 -0.060 0.000 0.999 318 S CB -0.223 62.948 63.200 -0.049 0.000 0.844 318 S HN 0.190 nan 8.310 nan 0.000 0.459 319 I N 1.327 121.826 120.570 -0.118 0.000 2.127 319 I HA -0.240 3.930 4.170 0.001 0.000 0.241 319 I C 2.597 178.670 176.117 -0.073 0.000 1.075 319 I CA 1.365 62.604 61.300 -0.101 0.000 1.334 319 I CB -0.302 37.606 38.000 -0.152 0.000 1.040 319 I HN 0.233 nan 8.210 nan 0.000 0.405 320 K N 0.954 121.303 120.400 -0.085 0.000 2.057 320 K HA -0.140 4.181 4.320 0.001 0.000 0.207 320 K C 2.127 178.704 176.600 -0.039 0.000 1.049 320 K CA 1.541 57.795 56.287 -0.054 0.000 0.931 320 K CB -0.440 32.027 32.500 -0.054 0.000 0.714 320 K HN 0.383 nan 8.250 nan 0.000 0.440 321 G N 1.265 110.041 108.800 -0.041 0.000 2.491 321 G HA2 -0.274 3.686 3.960 0.001 0.000 0.218 321 G HA3 -0.274 3.686 3.960 0.001 0.000 0.218 321 G C 1.452 176.337 174.900 -0.025 0.000 1.180 321 G CA 1.116 46.199 45.100 -0.028 0.000 0.774 321 G HN 0.229 nan 8.290 nan 0.000 0.562 322 L N -0.269 120.937 121.223 -0.030 0.000 2.046 322 L HA -0.111 4.229 4.340 0.001 0.000 0.208 322 L C 3.024 179.882 176.870 -0.020 0.000 1.077 322 L CA 0.983 55.807 54.840 -0.026 0.000 0.747 322 L CB -0.642 41.400 42.059 -0.029 0.000 0.896 322 L HN 0.402 nan 8.230 nan 0.000 0.432 323 C N 0.724 120.012 119.300 -0.019 0.000 2.413 323 C HA -0.166 4.294 4.460 0.001 0.000 0.276 323 C C 2.610 177.594 174.990 -0.011 0.000 1.248 323 C CA 1.228 60.239 59.018 -0.012 0.000 1.742 323 C CB -0.728 27.005 27.740 -0.011 0.000 2.017 323 C HN 0.525 nan 8.230 nan 0.000 0.481 324 E N -0.457 119.735 120.200 -0.013 0.000 2.347 324 E HA -0.096 4.254 4.350 0.001 0.000 0.196 324 E C 1.621 178.215 176.600 -0.010 0.000 1.008 324 E CA 0.578 56.971 56.400 -0.011 0.000 0.852 324 E CB -0.094 29.599 29.700 -0.011 0.000 0.783 324 E HN 0.653 nan 8.360 nan 0.000 0.505 325 R N -0.185 120.307 120.500 -0.013 0.000 2.515 325 R HA 0.163 4.503 4.340 0.001 0.000 0.294 325 R C 0.745 177.037 176.300 -0.013 0.000 1.021 325 R CA 0.381 56.473 56.100 -0.013 0.000 1.081 325 R CB 0.757 31.047 30.300 -0.016 0.000 1.263 325 R HN 0.221 nan 8.270 nan 0.000 0.557 326 G N 1.280 110.073 108.800 -0.011 0.000 2.176 326 G HA2 -0.254 3.707 3.960 0.001 0.000 0.253 326 G HA3 -0.254 3.707 3.960 0.001 0.000 0.253 326 G C 0.075 174.968 174.900 -0.012 0.000 0.979 326 G CA -0.375 44.718 45.100 -0.010 0.000 0.641 326 G HN 0.141 nan 8.290 nan 0.000 0.530 327 R N 0.707 121.198 120.500 -0.015 0.000 2.825 327 R HA 0.399 4.739 4.340 0.001 0.000 0.261 327 R C 0.747 177.041 176.300 -0.011 0.000 1.341 327 R CA -0.416 55.672 56.100 -0.019 0.000 1.353 327 R CB 0.370 30.654 30.300 -0.027 0.000 1.191 327 R HN 0.413 nan 8.270 nan 0.000 0.590 328 K N 0.934 121.333 120.400 -0.001 0.000 2.446 328 K HA 0.140 4.460 4.320 0.001 0.000 0.203 328 K C -0.459 176.167 176.600 0.044 0.000 1.027 328 K CA 0.059 56.356 56.287 0.017 0.000 1.166 328 K CB 0.261 32.772 32.500 0.018 0.000 0.869 328 K HN 0.255 nan 8.250 nan 0.000 0.504 329 N N 1.180 119.898 118.700 0.029 0.000 2.540 329 N HA 0.361 5.102 4.740 0.001 0.000 0.275 329 N C -1.371 174.137 175.510 -0.005 0.000 1.053 329 N CA -0.332 52.758 53.050 0.066 0.000 0.876 329 N CB 1.508 39.993 38.487 -0.002 0.000 1.284 329 N HN -0.033 nan 8.380 nan 0.000 0.518 330 I N 1.599 122.238 120.570 0.115 0.000 2.545 330 I HA 0.399 4.569 4.170 0.001 0.000 0.292 330 I C -1.228 175.009 176.117 0.200 0.000 1.040 330 I CA -1.066 60.274 61.300 0.065 0.000 1.068 330 I CB 2.020 40.047 38.000 0.044 0.000 1.251 330 I HN 0.231 nan 8.210 nan 0.000 0.424 331 L N 7.532 128.809 121.223 0.091 0.000 2.316 331 L HA 0.557 4.897 4.340 0.001 0.000 0.280 331 L C -0.981 175.883 176.870 -0.010 0.000 1.006 331 L CA -0.164 54.770 54.840 0.158 0.000 0.836 331 L CB 1.021 43.140 42.059 0.101 0.000 1.221 331 L HN 0.429 nan 8.230 nan 0.000 0.418 332 L N 5.505 126.734 121.223 0.010 0.000 2.375 332 L HA 0.651 4.991 4.340 0.001 0.000 0.271 332 L C -0.614 176.206 176.870 -0.085 0.000 1.107 332 L CA -0.838 53.977 54.840 -0.043 0.000 0.806 332 L CB 1.534 43.607 42.059 0.023 0.000 1.146 332 L HN 0.329 nan 8.230 nan 0.000 0.447 333 V N 2.670 122.489 119.914 -0.157 0.000 2.569 333 V HA 0.281 4.401 4.120 0.001 0.000 0.301 333 V C -2.203 173.842 176.094 -0.081 0.000 1.044 333 V CA -1.032 61.177 62.300 -0.152 0.000 0.874 333 V CB 2.107 33.660 31.823 -0.451 0.000 1.002 333 V HN 0.631 nan 8.190 nan 0.000 0.424 334 P HA 0.194 nan 4.420 nan 0.000 0.220 334 P C 0.934 178.216 177.300 -0.030 0.000 1.806 334 P CA -0.072 63.059 63.100 0.052 0.000 0.976 334 P CB 0.558 32.420 31.700 0.270 0.000 1.952 335 I N 1.808 122.214 120.570 -0.273 0.000 2.502 335 I HA -0.226 3.945 4.170 0.001 0.000 0.258 335 I C 1.797 177.747 176.117 -0.278 0.000 1.172 335 I CA 1.360 62.334 61.300 -0.544 0.000 1.430 335 I CB -0.268 37.475 38.000 -0.430 0.000 1.086 335 I HN 0.182 nan 8.210 nan 0.000 0.440 336 A N -1.479 121.181 122.820 -0.267 0.000 2.390 336 A HA 0.341 4.661 4.320 0.001 0.000 0.232 336 A C 0.529 178.139 177.584 0.044 0.000 1.233 336 A CA -0.334 51.630 52.037 -0.122 0.000 0.907 336 A CB -0.333 18.642 19.000 -0.042 0.000 0.967 336 A HN 0.248 nan 8.150 nan 0.000 0.512 337 F N -1.033 119.060 119.950 0.238 0.000 2.523 337 F HA 0.392 4.919 4.527 0.000 0.000 0.329 337 F C 1.628 177.465 175.800 0.062 0.000 1.061 337 F CA -0.271 57.848 58.000 0.198 0.000 0.967 337 F CB 2.021 41.135 39.000 0.191 0.000 1.218 337 F HN 0.063 nan 8.300 nan 0.000 0.480 338 T N -3.298 111.359 114.554 0.172 0.000 3.010 338 T HA 0.247 4.597 4.350 0.001 0.000 0.257 338 T C 0.084 174.598 174.700 -0.309 0.000 1.020 338 T CA 0.237 62.233 62.100 -0.173 0.000 0.938 338 T CB 0.033 68.845 68.868 -0.093 0.000 1.049 338 T HN 0.591 nan 8.240 nan 0.000 0.522 339 S N -0.178 115.404 115.700 -0.197 0.000 2.611 339 S HA 0.486 4.956 4.470 0.001 0.000 0.268 339 S C -2.089 172.234 174.600 -0.462 0.000 1.156 339 S CA -0.958 57.009 58.200 -0.388 0.000 0.817 339 S CB 1.284 64.347 63.200 -0.228 0.000 1.122 339 S HN 0.037 nan 8.310 nan 0.000 0.466 340 D N 1.498 121.597 120.400 -0.502 0.000 2.357 340 D HA 0.635 5.275 4.640 0.001 0.000 0.242 340 D C 0.152 176.304 176.300 -0.247 0.000 1.153 340 D CA 0.993 54.764 54.000 -0.382 0.000 0.918 340 D CB 0.739 41.453 40.800 -0.143 0.000 1.181 340 D HN 0.822 nan 8.370 nan 0.000 0.435 341 H N -2.092 116.969 119.070 -0.014 0.000 2.886 341 H HA 0.148 4.704 4.556 0.000 0.000 0.259 341 H C 0.696 176.009 175.328 -0.024 0.000 1.492 341 H CA -0.725 55.325 56.048 0.004 0.000 1.163 341 H CB -0.156 29.565 29.762 -0.069 0.000 1.872 341 H HN 0.262 nan 8.280 nan 0.000 0.631 342 I N 0.210 120.919 120.570 0.230 0.000 2.248 342 I HA -0.256 3.915 4.170 0.001 0.000 0.248 342 I C 1.328 177.492 176.117 0.078 0.000 1.107 342 I CA 1.507 62.814 61.300 0.012 0.000 1.373 342 I CB -0.160 37.668 38.000 -0.287 0.000 1.055 342 I HN 0.444 nan 8.210 nan 0.000 0.418 343 K N 0.279 120.796 120.400 0.195 0.000 2.152 343 K HA -0.157 4.164 4.320 0.001 0.000 0.206 343 K C 1.911 178.582 176.600 0.118 0.000 1.048 343 K CA 2.004 58.378 56.287 0.145 0.000 0.933 343 K CB -0.780 31.779 32.500 0.099 0.000 0.721 343 K HN 0.589 nan 8.250 nan 0.000 0.447 344 T N -1.540 113.030 114.554 0.026 0.000 3.053 344 T HA 0.129 4.479 4.350 0.001 0.000 0.236 344 T C 2.231 176.913 174.700 -0.030 0.000 0.996 344 T CA -0.114 61.986 62.100 0.001 0.000 1.185 344 T CB -0.542 68.284 68.868 -0.070 0.000 0.892 344 T HN -0.012 nan 8.240 nan 0.000 0.432 345 L N -0.679 120.530 121.223 -0.023 0.000 2.079 345 L HA -0.013 4.327 4.340 0.001 0.000 0.210 345 L C 2.587 179.447 176.870 -0.018 0.000 1.081 345 L CA 1.841 56.677 54.840 -0.006 0.000 0.752 345 L CB -0.540 41.543 42.059 0.041 0.000 0.896 345 L HN 0.284 nan 8.230 nan 0.000 0.433 346 Y N -0.103 120.131 120.300 -0.110 0.000 2.284 346 Y HA -0.066 4.484 4.550 0.000 0.000 0.293 346 Y C 2.661 178.439 175.900 -0.204 0.000 1.140 346 Y CA 1.109 59.121 58.100 -0.147 0.000 1.153 346 Y CB 0.082 38.429 38.460 -0.188 0.000 1.114 346 Y HN 0.007 nan 8.280 nan 0.000 0.521 347 E N 0.229 120.361 120.200 -0.113 0.000 2.023 347 E HA -0.209 4.141 4.350 0.001 0.000 0.196 347 E C 2.085 178.263 176.600 -0.704 0.000 1.003 347 E CA 1.968 58.123 56.400 -0.408 0.000 0.809 347 E CB -0.309 29.223 29.700 -0.279 0.000 0.755 347 E HN 0.497 nan 8.360 nan 0.000 0.449 348 L N 0.623 121.642 121.223 -0.340 0.000 2.044 348 L HA -0.146 4.194 4.340 0.001 0.000 0.205 348 L C 2.143 178.948 176.870 -0.108 0.000 1.075 348 L CA 0.895 55.651 54.840 -0.142 0.000 0.747 348 L CB -0.344 41.737 42.059 0.037 0.000 0.903 348 L HN 0.118 nan 8.230 nan 0.000 0.435 349 D N -0.005 120.310 120.400 -0.141 0.000 2.137 349 D HA -0.035 4.605 4.640 0.001 0.000 0.202 349 D C 2.233 178.423 176.300 -0.182 0.000 0.970 349 D CA 1.217 55.142 54.000 -0.126 0.000 0.837 349 D CB 0.292 41.031 40.800 -0.102 0.000 0.981 349 D HN 0.302 nan 8.370 nan 0.000 0.475 350 I N 0.145 120.518 120.570 -0.329 0.000 2.726 350 I HA -0.035 4.136 4.170 0.001 0.000 0.243 350 I C 2.375 178.264 176.117 -0.380 0.000 1.082 350 I CA 0.170 61.233 61.300 -0.395 0.000 1.447 350 I CB -0.038 37.581 38.000 -0.635 0.000 1.250 350 I HN -0.146 nan 8.210 nan 0.000 0.453 351 E N 0.651 120.518 120.200 -0.555 0.000 2.058 351 E HA -0.238 4.112 4.350 0.001 0.000 0.194 351 E C 2.136 178.720 176.600 -0.027 0.000 0.997 351 E CA 1.922 58.129 56.400 -0.322 0.000 0.801 351 E CB 0.061 29.530 29.700 -0.385 0.000 0.746 351 E HN 0.370 nan 8.360 nan 0.000 0.450 352 Y N -0.157 120.080 120.300 -0.105 0.000 2.205 352 Y HA 0.132 4.682 4.550 0.001 0.000 0.292 352 Y C 2.651 178.516 175.900 -0.059 0.000 1.119 352 Y CA 0.622 58.686 58.100 -0.060 0.000 1.117 352 Y CB -0.774 37.664 38.460 -0.037 0.000 1.037 352 Y HN -0.031 nan 8.280 nan 0.000 0.510 353 S N -0.103 115.653 115.700 0.093 0.000 2.474 353 S HA -0.137 4.333 4.470 0.001 0.000 0.235 353 S C 1.690 176.283 174.600 -0.012 0.000 0.997 353 S CA 1.188 59.404 58.200 0.027 0.000 0.949 353 S CB -0.127 63.071 63.200 -0.005 0.000 0.766 353 S HN 0.511 nan 8.310 nan 0.000 0.517 354 Q N -0.453 119.325 119.800 -0.037 0.000 2.525 354 Q HA 0.147 4.487 4.340 0.001 0.000 0.203 354 Q C 2.224 178.208 176.000 -0.026 0.000 0.947 354 Q CA 0.489 56.264 55.803 -0.045 0.000 0.881 354 Q CB -0.157 28.534 28.738 -0.078 0.000 1.049 354 Q HN 0.302 nan 8.270 nan 0.000 0.600 355 V N 1.560 121.456 119.914 -0.030 0.000 2.229 355 V HA -0.228 3.893 4.120 0.001 0.000 0.243 355 V C 2.247 178.351 176.094 0.017 0.000 1.042 355 V CA 1.577 63.872 62.300 -0.008 0.000 1.000 355 V CB -0.595 31.221 31.823 -0.011 0.000 0.637 355 V HN 0.255 nan 8.190 nan 0.000 0.446 356 L N 0.898 122.149 121.223 0.046 0.000 2.017 356 L HA -0.098 4.242 4.340 0.001 0.000 0.208 356 L C 2.483 179.366 176.870 0.022 0.000 1.073 356 L CA 2.396 57.263 54.840 0.045 0.000 0.745 356 L CB -1.071 41.034 42.059 0.077 0.000 0.894 356 L HN 0.249 nan 8.230 nan 0.000 0.432 357 A N -0.922 121.914 122.820 0.026 0.000 1.917 357 A HA -0.283 4.038 4.320 0.001 0.000 0.219 357 A C 2.352 179.940 177.584 0.007 0.000 1.182 357 A CA 2.133 54.179 52.037 0.015 0.000 0.633 357 A CB -0.590 18.420 19.000 0.016 0.000 0.819 357 A HN 0.404 nan 8.150 nan 0.000 0.448 358 K N 0.292 120.695 120.400 0.004 0.000 2.025 358 K HA -0.145 4.175 4.320 0.001 0.000 0.207 358 K C 1.989 178.590 176.600 0.002 0.000 1.049 358 K CA 1.780 58.068 56.287 0.000 0.000 0.933 358 K CB -0.316 32.182 32.500 -0.004 0.000 0.714 358 K HN 0.807 nan 8.250 nan 0.000 0.438 359 E N -0.401 119.801 120.200 0.004 0.000 2.058 359 E HA -0.224 4.126 4.350 0.001 0.000 0.194 359 E C 2.052 178.653 176.600 0.002 0.000 0.997 359 E CA 1.582 57.984 56.400 0.004 0.000 0.801 359 E CB -0.705 28.998 29.700 0.006 0.000 0.746 359 E HN 0.490 nan 8.360 nan 0.000 0.450 360 C N -0.127 119.173 119.300 0.001 0.000 2.562 360 C HA 0.538 4.998 4.460 0.001 0.000 0.266 360 C C 1.686 176.676 174.990 0.000 0.000 1.382 360 C CA -0.261 58.756 59.018 -0.002 0.000 1.742 360 C CB -1.027 26.709 27.740 -0.007 0.000 1.812 360 C HN 0.627 nan 8.230 nan 0.000 0.559 361 G N 1.325 110.126 108.800 0.002 0.000 2.289 361 G HA2 -0.138 3.822 3.960 0.001 0.000 0.280 361 G HA3 -0.138 3.822 3.960 0.001 0.000 0.280 361 G C -0.200 174.705 174.900 0.008 0.000 1.089 361 G CA 0.153 45.255 45.100 0.004 0.000 0.939 361 G HN 0.801 nan 8.290 nan 0.000 0.499 362 V N -0.125 119.796 119.914 0.011 0.000 2.843 362 V HA 0.146 4.267 4.120 0.001 0.000 0.305 362 V C 1.610 177.719 176.094 0.026 0.000 1.065 362 V CA 0.907 63.219 62.300 0.020 0.000 1.116 362 V CB 1.259 33.098 31.823 0.026 0.000 0.968 362 V HN 0.624 nan 8.190 nan 0.000 0.487 363 E N 2.380 122.604 120.200 0.039 0.000 2.075 363 E HA 0.046 4.396 4.350 0.001 0.000 0.190 363 E C -0.142 176.491 176.600 0.056 0.000 0.969 363 E CA 0.817 57.243 56.400 0.043 0.000 0.815 363 E CB 0.165 29.894 29.700 0.049 0.000 0.776 363 E HN 0.785 nan 8.360 nan 0.000 0.457 364 N N 0.311 119.072 118.700 0.102 0.000 2.519 364 N HA 0.360 5.100 4.740 0.001 0.000 0.291 364 N C -1.584 174.035 175.510 0.183 0.000 1.107 364 N CA -0.202 52.916 53.050 0.113 0.000 0.904 364 N CB 2.581 41.188 38.487 0.200 0.000 1.500 364 N HN -0.022 nan 8.380 nan 0.000 0.510 365 I N 1.763 122.372 120.570 0.066 0.000 2.436 365 I HA 0.536 4.706 4.170 0.001 0.000 0.289 365 I C -1.026 175.084 176.117 -0.012 0.000 1.010 365 I CA -0.476 60.881 61.300 0.095 0.000 1.098 365 I CB 0.788 38.825 38.000 0.062 0.000 1.266 365 I HN 0.441 nan 8.210 nan 0.000 0.434 366 R N 5.609 126.127 120.500 0.030 0.000 2.867 366 R HA 0.619 4.959 4.340 0.001 0.000 0.268 366 R C -1.180 175.138 176.300 0.029 0.000 1.014 366 R CA -1.063 54.990 56.100 -0.078 0.000 0.946 366 R CB 2.416 32.506 30.300 -0.349 0.000 1.208 366 R HN 0.517 nan 8.270 nan 0.000 0.477 367 R N 0.723 121.220 120.500 -0.006 0.000 2.532 367 R HA 0.503 4.843 4.340 0.001 0.000 0.297 367 R C -1.041 175.268 176.300 0.014 0.000 0.984 367 R CA -0.429 55.680 56.100 0.015 0.000 0.884 367 R CB 1.854 32.158 30.300 0.008 0.000 1.182 367 R HN 0.798 nan 8.270 nan 0.000 0.442 368 A N 3.357 126.204 122.820 0.044 0.000 2.520 368 A HA 0.057 4.377 4.320 0.001 0.000 0.235 368 A C 0.095 177.706 177.584 0.044 0.000 1.065 368 A CA -0.052 52.028 52.037 0.072 0.000 0.764 368 A CB 0.127 19.219 19.000 0.152 0.000 1.002 368 A HN 0.872 nan 8.150 nan 0.000 0.502 369 E N 2.152 122.319 120.200 -0.055 0.000 2.373 369 E HA 0.370 4.721 4.350 0.001 0.000 0.263 369 E C -0.335 176.273 176.600 0.014 0.000 1.073 369 E CA -0.386 55.941 56.400 -0.122 0.000 0.894 369 E CB 0.575 30.100 29.700 -0.291 0.000 1.008 369 E HN 0.447 nan 8.360 nan 0.000 0.420 370 S N 2.296 117.935 115.700 -0.101 0.000 2.579 370 S HA 0.034 4.505 4.470 0.001 0.000 0.275 370 S C 1.414 175.878 174.600 -0.226 0.000 1.345 370 S CA -0.581 57.521 58.200 -0.163 0.000 1.031 370 S CB 0.499 63.515 63.200 -0.307 0.000 0.892 370 S HN 0.554 nan 8.310 nan 0.000 0.529 371 L N 1.750 122.730 121.223 -0.405 0.000 2.021 371 L HA -0.288 4.052 4.340 0.001 0.000 0.215 371 L C 1.537 178.125 176.870 -0.470 0.000 1.074 371 L CA 1.080 55.583 54.840 -0.561 0.000 0.760 371 L CB -1.024 40.388 42.059 -1.078 0.000 0.889 371 L HN 0.645 nan 8.230 nan 0.000 0.433 372 N N -0.231 118.075 118.700 -0.657 0.000 1.104 372 N HA -0.292 4.449 4.740 0.001 0.000 0.137 372 N C 1.169 176.521 175.510 -0.264 0.000 0.520 372 N CA 2.160 54.684 53.050 -0.877 0.000 0.935 372 N CB -1.497 35.940 38.487 -1.750 0.000 1.411 372 N HN 0.396 nan 8.380 nan 0.000 0.508 373 G N 0.525 109.251 108.800 -0.124 0.000 2.848 373 G HA2 -0.067 3.893 3.960 0.001 0.000 0.208 373 G HA3 -0.067 3.893 3.960 0.001 0.000 0.208 373 G C 0.439 175.411 174.900 0.120 0.000 1.152 373 G CA 0.304 45.528 45.100 0.206 0.000 0.789 373 G HN 0.668 nan 8.290 nan 0.000 0.531 374 N N 1.542 120.279 118.700 0.062 0.000 2.386 374 N HA 0.025 4.765 4.740 0.001 0.000 0.273 374 N C -0.513 175.066 175.510 0.115 0.000 1.331 374 N CA -0.874 52.232 53.050 0.094 0.000 0.891 374 N CB 1.364 39.905 38.487 0.091 0.000 1.139 374 N HN -0.012 nan 8.380 nan 0.000 0.487 375 P HA -0.214 nan 4.420 nan 0.000 0.217 375 P C 1.321 178.651 177.300 0.050 0.000 1.148 375 P CA 0.778 63.916 63.100 0.063 0.000 0.828 375 P CB 0.211 31.939 31.700 0.046 0.000 0.783 376 L N -1.325 119.934 121.223 0.060 0.000 2.131 376 L HA -0.043 4.298 4.340 0.001 0.000 0.210 376 L C 2.523 179.424 176.870 0.053 0.000 1.092 376 L CA 1.417 56.283 54.840 0.044 0.000 0.759 376 L CB -1.499 40.586 42.059 0.042 0.000 0.903 376 L HN -0.156 nan 8.230 nan 0.000 0.435 377 F N -1.095 118.812 119.950 -0.073 0.000 2.163 377 F HA -0.196 4.331 4.527 0.001 0.000 0.297 377 F C 2.453 178.204 175.800 -0.082 0.000 1.094 377 F CA 1.421 59.370 58.000 -0.084 0.000 1.290 377 F CB -0.015 38.927 39.000 -0.096 0.000 1.017 377 F HN 0.001 nan 8.300 nan 0.000 0.483 378 S N 0.360 116.009 115.700 -0.086 0.000 2.368 378 S HA -0.246 4.224 4.470 0.001 0.000 0.225 378 S C 1.976 176.448 174.600 -0.213 0.000 1.030 378 S CA 1.516 59.611 58.200 -0.175 0.000 0.999 378 S CB -0.377 62.791 63.200 -0.053 0.000 0.844 378 S HN 0.369 nan 8.310 nan 0.000 0.459 379 K N 1.237 121.553 120.400 -0.141 0.000 2.097 379 K HA -0.045 4.275 4.320 0.001 0.000 0.206 379 K C 2.197 178.684 176.600 -0.190 0.000 1.049 379 K CA 1.117 57.329 56.287 -0.125 0.000 0.933 379 K CB -0.314 32.152 32.500 -0.056 0.000 0.717 379 K HN 0.300 nan 8.250 nan 0.000 0.442 380 A N 1.339 123.997 122.820 -0.270 0.000 1.902 380 A HA -0.126 4.195 4.320 0.001 0.000 0.217 380 A C 2.089 179.304 177.584 -0.615 0.000 1.181 380 A CA 1.266 53.045 52.037 -0.430 0.000 0.623 380 A CB -0.561 18.201 19.000 -0.398 0.000 0.818 380 A HN 0.301 nan 8.150 nan 0.000 0.443 381 L N -0.891 119.965 121.223 -0.612 0.000 2.027 381 L HA -0.183 4.157 4.340 0.001 0.000 0.206 381 L C 3.140 179.856 176.870 -0.256 0.000 1.074 381 L CA 1.142 55.715 54.840 -0.444 0.000 0.745 381 L CB -0.713 41.085 42.059 -0.435 0.000 0.898 381 L HN 0.431 nan 8.230 nan 0.000 0.433 382 A N 0.136 122.818 122.820 -0.229 0.000 1.908 382 A HA -0.307 4.013 4.320 0.001 0.000 0.218 382 A C 1.967 179.466 177.584 -0.141 0.000 1.181 382 A CA 2.232 54.164 52.037 -0.175 0.000 0.627 382 A CB -0.738 18.161 19.000 -0.169 0.000 0.818 382 A HN 0.471 nan 8.150 nan 0.000 0.445 383 D N -0.336 119.983 120.400 -0.135 0.000 2.149 383 D HA -0.127 4.513 4.640 0.001 0.000 0.198 383 D C 1.803 178.089 176.300 -0.022 0.000 0.990 383 D CA 1.268 55.261 54.000 -0.012 0.000 0.839 383 D CB -0.203 40.639 40.800 0.070 0.000 0.948 383 D HN 0.436 nan 8.370 nan 0.000 0.460 384 L N -0.506 120.576 121.223 -0.234 0.000 2.027 384 L HA -0.137 4.203 4.340 0.001 0.000 0.206 384 L C 2.586 179.266 176.870 -0.317 0.000 1.074 384 L CA 0.631 55.277 54.840 -0.323 0.000 0.745 384 L CB -0.333 41.325 42.059 -0.668 0.000 0.898 384 L HN 0.039 nan 8.230 nan 0.000 0.433 385 V N -0.890 118.807 119.914 -0.362 0.000 2.295 385 V HA -0.352 3.768 4.120 0.001 0.000 0.246 385 V C 2.453 178.532 176.094 -0.025 0.000 1.049 385 V CA 1.984 64.139 62.300 -0.241 0.000 1.024 385 V CB -0.852 30.854 31.823 -0.195 0.000 0.648 385 V HN 0.537 nan 8.190 nan 0.000 0.447 386 H N 0.285 119.289 119.070 -0.110 0.000 2.290 386 H HA -0.174 4.382 4.556 0.000 0.000 0.298 386 H C 2.488 177.803 175.328 -0.022 0.000 1.087 386 H CA 2.024 58.038 56.048 -0.058 0.000 1.291 386 H CB 0.156 29.882 29.762 -0.059 0.000 1.369 386 H HN 0.440 nan 8.280 nan 0.000 0.492 387 S N -0.592 115.095 115.700 -0.021 0.000 2.368 387 S HA -0.193 4.278 4.470 0.001 0.000 0.225 387 S C 1.915 176.491 174.600 -0.040 0.000 1.030 387 S CA 1.379 59.547 58.200 -0.053 0.000 0.999 387 S CB -0.510 62.714 63.200 0.040 0.000 0.844 387 S HN 0.613 nan 8.310 nan 0.000 0.459 388 H N 1.792 120.793 119.070 -0.116 0.000 2.290 388 H HA -0.021 4.535 4.556 0.001 0.000 0.298 388 H C 1.829 177.106 175.328 -0.084 0.000 1.087 388 H CA 1.932 57.918 56.048 -0.103 0.000 1.291 388 H CB -0.533 29.134 29.762 -0.158 0.000 1.369 388 H HN 0.344 nan 8.280 nan 0.000 0.492 389 I N 0.367 120.847 120.570 -0.151 0.000 2.099 389 I HA -0.341 3.829 4.170 0.001 0.000 0.239 389 I C 2.587 178.588 176.117 -0.193 0.000 1.066 389 I CA 1.798 62.985 61.300 -0.189 0.000 1.324 389 I CB -0.519 37.442 38.000 -0.064 0.000 1.037 389 I HN 0.436 nan 8.210 nan 0.000 0.401 390 Q N 0.508 120.182 119.800 -0.209 0.000 2.133 390 Q HA -0.246 4.094 4.340 0.001 0.000 0.208 390 Q C 2.281 178.198 176.000 -0.138 0.000 0.991 390 Q CA 2.266 57.953 55.803 -0.193 0.000 0.867 390 Q CB -0.365 28.219 28.738 -0.256 0.000 0.911 390 Q HN 0.641 nan 8.270 nan 0.000 0.417 391 S N -0.337 115.282 115.700 -0.134 0.000 2.489 391 S HA -0.067 4.403 4.470 0.001 0.000 0.228 391 S C 0.608 175.142 174.600 -0.111 0.000 0.995 391 S CA 0.695 58.836 58.200 -0.098 0.000 0.934 391 S CB -0.054 63.108 63.200 -0.063 0.000 0.771 391 S HN 0.466 nan 8.310 nan 0.000 0.522 392 N N 1.557 120.155 118.700 -0.169 0.000 2.713 392 N HA -0.187 4.554 4.740 0.001 0.000 0.251 392 N C -0.412 175.022 175.510 -0.126 0.000 1.117 392 N CA 1.210 54.168 53.050 -0.153 0.000 0.770 392 N CB -1.304 37.129 38.487 -0.091 0.000 1.137 392 N HN 0.962 nan 8.380 nan 0.000 0.566 393 E N 0.015 120.132 120.200 -0.138 0.000 2.343 393 E HA 0.204 4.554 4.350 0.001 0.000 0.269 393 E C 0.726 177.332 176.600 0.010 0.000 1.047 393 E CA -0.512 55.868 56.400 -0.033 0.000 0.874 393 E CB 0.811 30.528 29.700 0.028 0.000 1.033 393 E HN 0.274 nan 8.360 nan 0.000 0.409 394 L N 1.196 122.476 121.223 0.095 0.000 2.307 394 L HA 0.142 4.482 4.340 0.001 0.000 0.211 394 L C 0.768 177.804 176.870 0.277 0.000 1.099 394 L CA 0.251 55.207 54.840 0.193 0.000 0.816 394 L CB -0.153 42.005 42.059 0.165 0.000 0.952 394 L HN 0.824 nan 8.230 nan 0.000 0.455 395 C N -4.166 115.252 119.300 0.196 0.000 3.249 395 C HA 0.538 4.998 4.460 0.001 0.000 0.350 395 C C 0.298 175.348 174.990 0.099 0.000 1.431 395 C CA -1.113 57.987 59.018 0.137 0.000 1.209 395 C CB 0.932 28.726 27.740 0.090 0.000 1.546 395 C HN 0.219 nan 8.230 nan 0.000 0.450 396 S N 0.532 116.269 115.700 0.062 0.000 2.600 396 S HA 0.313 4.783 4.470 0.001 0.000 0.265 396 S C 0.839 175.453 174.600 0.024 0.000 1.325 396 S CA 0.534 58.765 58.200 0.051 0.000 1.002 396 S CB 1.018 64.243 63.200 0.042 0.000 0.921 396 S HN 1.130 nan 8.310 nan 0.000 0.554 397 K N 0.527 120.940 120.400 0.022 0.000 2.148 397 K HA -0.043 4.278 4.320 0.001 0.000 0.204 397 K C 2.124 178.715 176.600 -0.016 0.000 1.050 397 K CA 1.461 57.754 56.287 0.010 0.000 0.942 397 K CB -0.348 32.160 32.500 0.014 0.000 0.724 397 K HN 0.611 nan 8.250 nan 0.000 0.446 398 Q N 0.005 119.783 119.800 -0.036 0.000 2.226 398 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 398 Q C 1.901 177.818 176.000 -0.138 0.000 0.975 398 Q CA 0.899 56.653 55.803 -0.083 0.000 0.866 398 Q CB -0.232 28.444 28.738 -0.102 0.000 0.915 398 Q HN 0.290 nan 8.270 nan 0.000 0.440 399 L N 1.121 122.265 121.223 -0.132 0.000 2.275 399 L HA -0.096 4.244 4.340 0.001 0.000 0.215 399 L C 2.131 178.965 176.870 -0.059 0.000 1.119 399 L CA 1.786 56.540 54.840 -0.144 0.000 0.790 399 L CB -0.554 41.450 42.059 -0.093 0.000 0.919 399 L HN 0.269 nan 8.230 nan 0.000 0.443 400 T N -3.067 111.470 114.554 -0.029 0.000 3.113 400 T HA -0.014 4.336 4.350 0.001 0.000 0.263 400 T C 0.564 175.256 174.700 -0.013 0.000 1.143 400 T CA 0.141 62.240 62.100 -0.002 0.000 1.090 400 T CB -0.305 68.568 68.868 0.009 0.000 0.922 400 T HN 0.085 nan 8.240 nan 0.000 0.521 401 L N 1.901 123.102 121.223 -0.036 0.000 2.316 401 L HA 0.617 4.958 4.340 0.001 0.000 0.280 401 L C -0.478 176.368 176.870 -0.040 0.000 1.006 401 L CA -0.555 54.266 54.840 -0.031 0.000 0.836 401 L CB 1.683 43.724 42.059 -0.030 0.000 1.221 401 L HN 0.010 nan 8.230 nan 0.000 0.418 402 S N 2.531 118.219 115.700 -0.021 0.000 2.645 402 S HA 0.336 4.806 4.470 0.001 0.000 0.266 402 S C -0.137 174.460 174.600 -0.005 0.000 1.258 402 S CA -0.608 57.587 58.200 -0.010 0.000 0.990 402 S CB 0.654 63.853 63.200 -0.001 0.000 0.967 402 S HN 0.788 nan 8.310 nan 0.000 0.556 403 C N 4.200 123.504 119.300 0.007 0.000 2.538 403 C HA 0.072 4.532 4.460 0.001 0.000 0.408 403 C C -0.232 174.757 174.990 -0.001 0.000 1.421 403 C CA -0.967 58.054 59.018 0.006 0.000 1.642 403 C CB -0.586 27.160 27.740 0.011 0.000 2.553 403 C HN 0.693 nan 8.230 nan 0.000 0.604 404 P HA -0.126 nan 4.420 nan 0.000 0.219 404 P C 0.581 177.877 177.300 -0.007 0.000 1.146 404 P CA 1.598 64.695 63.100 -0.005 0.000 0.808 404 P CB 0.137 31.833 31.700 -0.006 0.000 0.779 405 L N -0.904 120.313 121.223 -0.008 0.000 2.965 405 L HA 0.218 4.558 4.340 0.001 0.000 0.254 405 L C 1.109 177.972 176.870 -0.012 0.000 1.220 405 L CA -0.730 54.103 54.840 -0.011 0.000 1.023 405 L CB -0.109 41.941 42.059 -0.016 0.000 1.355 405 L HN -0.047 nan 8.230 nan 0.000 0.545 406 C N 1.461 120.757 119.300 -0.008 0.000 2.611 406 C HA 0.142 4.603 4.460 0.001 0.000 0.416 406 C C 1.704 176.688 174.990 -0.009 0.000 1.366 406 C CA 0.084 59.098 59.018 -0.007 0.000 1.761 406 C CB 0.160 27.899 27.740 -0.001 0.000 2.619 406 C HN 0.443 nan 8.230 nan 0.000 0.606 407 V N 3.323 123.230 119.914 -0.011 0.000 3.199 407 V HA 0.358 4.478 4.120 0.001 0.000 0.331 407 V C 0.174 176.262 176.094 -0.008 0.000 1.446 407 V CA -0.083 62.211 62.300 -0.010 0.000 1.120 407 V CB -0.824 30.991 31.823 -0.012 0.000 1.051 407 V HN 0.845 nan 8.190 nan 0.000 0.495 408 N N 2.990 121.685 118.700 -0.008 0.000 2.444 408 N HA 0.467 5.207 4.740 0.001 0.000 0.262 408 N C -1.254 174.251 175.510 -0.009 0.000 0.974 408 N CA -1.915 51.131 53.050 -0.006 0.000 0.933 408 N CB 2.540 41.023 38.487 -0.006 0.000 1.137 408 N HN 0.138 nan 8.380 nan 0.000 0.498 409 P HA -0.096 nan 4.420 nan 0.000 0.222 409 P C 1.223 178.502 177.300 -0.036 0.000 1.147 409 P CA 0.609 63.702 63.100 -0.012 0.000 0.790 409 P CB 0.631 32.333 31.700 0.003 0.000 0.780 410 V N 0.654 120.548 119.914 -0.033 0.000 2.295 410 V HA -0.256 3.864 4.120 0.001 0.000 0.246 410 V C 2.933 178.933 176.094 -0.157 0.000 1.049 410 V CA 2.021 64.271 62.300 -0.084 0.000 1.024 410 V CB -1.672 30.149 31.823 -0.003 0.000 0.648 410 V HN 0.180 nan 8.190 nan 0.000 0.447 411 C N -0.283 118.975 119.300 -0.070 0.000 2.375 411 C HA -0.266 4.194 4.460 0.001 0.000 0.274 411 C C 2.892 177.840 174.990 -0.069 0.000 1.190 411 C CA 1.495 60.487 59.018 -0.043 0.000 1.775 411 C CB -1.320 26.419 27.740 -0.002 0.000 2.067 411 C HN 0.497 nan 8.230 nan 0.000 0.463 412 R N 0.392 120.846 120.500 -0.076 0.000 2.091 412 R HA -0.122 4.218 4.340 0.001 0.000 0.238 412 R C 2.244 178.475 176.300 -0.116 0.000 1.136 412 R CA 1.349 57.410 56.100 -0.065 0.000 0.959 412 R CB -0.230 30.042 30.300 -0.046 0.000 0.856 412 R HN 0.603 nan 8.270 nan 0.000 0.437 413 E N -0.427 119.616 120.200 -0.262 0.000 2.150 413 E HA -0.104 4.246 4.350 0.001 0.000 0.193 413 E C 1.933 178.209 176.600 -0.539 0.000 0.985 413 E CA 1.305 57.430 56.400 -0.458 0.000 0.814 413 E CB -0.260 28.942 29.700 -0.830 0.000 0.752 413 E HN 0.311 nan 8.360 nan 0.000 0.466 414 T N 2.059 116.323 114.554 -0.484 0.000 2.777 414 T HA -0.155 4.196 4.350 0.001 0.000 0.266 414 T C 1.912 176.765 174.700 0.256 0.000 1.040 414 T CA 1.849 63.896 62.100 -0.088 0.000 1.141 414 T CB -0.087 68.797 68.868 0.027 0.000 0.868 414 T HN 0.349 nan 8.240 nan 0.000 0.444 415 K N 1.253 121.741 120.400 0.146 0.000 2.057 415 K HA 0.026 4.346 4.320 0.001 0.000 0.207 415 K C 2.404 179.133 176.600 0.214 0.000 1.049 415 K CA 1.597 58.004 56.287 0.200 0.000 0.931 415 K CB -0.420 32.134 32.500 0.091 0.000 0.714 415 K HN 0.049 nan 8.250 nan 0.000 0.440 416 S N 0.515 116.293 115.700 0.131 0.000 2.399 416 S HA -0.091 4.379 4.470 0.001 0.000 0.231 416 S C 1.438 176.115 174.600 0.129 0.000 1.022 416 S CA 1.001 59.265 58.200 0.107 0.000 0.983 416 S CB -0.473 62.768 63.200 0.068 0.000 0.803 416 S HN 0.403 nan 8.310 nan 0.000 0.480 417 F N 1.407 121.374 119.950 0.028 0.000 2.126 417 F HA -0.134 4.393 4.527 0.001 0.000 0.299 417 F C 1.476 177.146 175.800 -0.216 0.000 1.096 417 F CA 1.467 59.408 58.000 -0.098 0.000 1.255 417 F CB -0.297 38.621 39.000 -0.137 0.000 0.997 417 F HN 0.181 nan 8.300 nan 0.000 0.479 418 F N -0.347 119.668 119.950 0.108 0.000 2.446 418 F HA 0.004 4.531 4.527 0.001 0.000 0.292 418 F C 2.601 178.418 175.800 0.029 0.000 1.096 418 F CA 1.141 59.176 58.000 0.058 0.000 1.438 418 F CB -1.129 37.992 39.000 0.202 0.000 1.107 418 F HN -0.043 nan 8.300 nan 0.000 0.546 419 T N -3.447 111.228 114.554 0.202 0.000 3.072 419 T HA -0.011 4.340 4.350 0.001 0.000 0.266 419 T C 0.918 175.644 174.700 0.044 0.000 1.127 419 T CA 0.525 62.694 62.100 0.116 0.000 1.107 419 T CB -0.413 68.513 68.868 0.096 0.000 0.910 419 T HN -0.013 nan 8.240 nan 0.000 0.513 420 S N 2.322 118.017 115.700 -0.008 0.000 2.790 420 S HA 0.455 4.925 4.470 0.001 0.000 0.202 420 S C -0.447 174.093 174.600 -0.099 0.000 1.383 420 S CA -0.761 57.409 58.200 -0.051 0.000 1.026 420 S CB 0.218 63.381 63.200 -0.062 0.000 1.253 420 S HN 0.376 nan 8.310 nan 0.000 0.489 421 Q N 1.492 121.261 119.800 -0.053 0.000 2.590 421 Q HA 0.364 4.705 4.340 0.001 0.000 0.295 421 Q C -0.401 175.582 176.000 -0.028 0.000 0.973 421 Q CA -0.746 55.025 55.803 -0.054 0.000 0.768 421 Q CB 1.763 30.482 28.738 -0.032 0.000 1.479 421 Q HN 0.670 nan 8.270 nan 0.000 0.419 422 Q N -0.111 119.670 119.800 -0.031 0.000 3.083 422 Q HA 0.676 5.016 4.340 0.001 0.000 0.197 422 Q C -0.083 175.901 176.000 -0.027 0.000 1.107 422 Q CA -0.777 55.010 55.803 -0.026 0.000 0.675 422 Q CB 1.041 29.762 28.738 -0.028 0.000 3.807 422 Q HN 0.368 nan 8.270 nan 0.000 0.357 423 L N 0.000 121.206 121.223 -0.029 0.000 2.949 423 L HA 0.000 4.340 4.340 0.001 0.000 0.249 423 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 423 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 423 L HN 0.000 nan 8.230 nan 0.000 0.502