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 2po5_1_B DATA FIRST_RESID 65 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE LTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSACS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIET 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 0.000 176.287 176.300 -0.021 0.000 0.893 65 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 65 R CB 0.000 30.291 30.300 -0.014 0.000 0.687 66 K N 3.693 124.081 120.400 -0.020 0.000 2.412 66 K HA 0.491 4.857 4.320 0.076 0.000 0.281 66 K C -2.053 174.532 176.600 -0.025 0.000 1.027 66 K CA -0.842 55.434 56.287 -0.018 0.000 0.989 66 K CB -0.409 32.082 32.500 -0.015 0.000 0.935 66 K HN 0.567 nan 8.250 nan 0.000 0.475 67 P HA 0.045 nan 4.420 nan 0.000 0.264 67 P C -0.346 176.936 177.300 -0.030 0.000 1.193 67 P CA 0.184 63.273 63.100 -0.019 0.000 0.763 67 P CB 1.205 32.916 31.700 0.018 0.000 0.810 68 K N 1.947 122.304 120.400 -0.072 0.000 2.286 68 K HA 0.098 4.464 4.320 0.076 0.000 0.203 68 K C 0.124 176.666 176.600 -0.097 0.000 1.078 68 K CA 0.624 56.856 56.287 -0.091 0.000 0.957 68 K CB 0.428 32.852 32.500 -0.127 0.000 1.018 68 K HN 0.365 nan 8.250 nan 0.000 0.484 69 T N 0.700 115.172 114.554 -0.135 0.000 2.770 69 T HA 0.473 4.869 4.350 0.076 0.000 0.283 69 T C -0.489 174.240 174.700 0.049 0.000 0.988 69 T CA -0.771 61.284 62.100 -0.075 0.000 0.957 69 T CB 1.593 70.392 68.868 -0.116 0.000 0.930 69 T HN 0.304 nan 8.240 nan 0.000 0.443 70 G N 2.103 110.941 108.800 0.063 0.000 2.379 70 G HA2 0.642 4.648 3.960 0.076 0.000 0.327 70 G HA3 0.642 4.648 3.960 0.076 0.000 0.327 70 G C -0.866 174.140 174.900 0.177 0.000 1.145 70 G CA -0.588 44.638 45.100 0.211 0.000 0.905 70 G HN 0.625 nan 8.290 nan 0.000 0.466 71 I N 2.053 122.805 120.570 0.304 0.000 2.390 71 I HA 0.198 4.413 4.170 0.076 0.000 0.283 71 I C -0.396 175.929 176.117 0.348 0.000 1.016 71 I CA -0.608 60.860 61.300 0.279 0.000 1.151 71 I CB 1.819 39.984 38.000 0.274 0.000 1.293 71 I HN 0.268 nan 8.210 nan 0.000 0.458 72 L N 7.731 129.138 121.223 0.307 0.000 2.295 72 L HA 0.442 4.827 4.340 0.076 0.000 0.288 72 L C -0.232 176.810 176.870 0.286 0.000 1.079 72 L CA 0.179 55.204 54.840 0.308 0.000 0.830 72 L CB 0.123 42.386 42.059 0.340 0.000 1.200 72 L HN 0.493 nan 8.230 nan 0.000 0.438 73 M N 6.732 126.461 119.600 0.215 0.000 2.108 73 M HA 0.299 4.825 4.480 0.076 0.000 0.347 73 M C -0.761 175.607 176.300 0.113 0.000 1.326 73 M CA -0.014 55.354 55.300 0.113 0.000 1.126 73 M CB 0.471 33.092 32.600 0.035 0.000 1.606 73 M HN 0.428 nan 8.290 nan 0.000 0.462 74 L N 4.214 125.528 121.223 0.151 0.000 2.289 74 L HA 0.537 4.923 4.340 0.076 0.000 0.285 74 L C 0.161 177.128 176.870 0.162 0.000 1.049 74 L CA -0.324 54.627 54.840 0.185 0.000 0.804 74 L CB 0.728 42.929 42.059 0.237 0.000 1.195 74 L HN 0.728 nan 8.230 nan 0.000 0.428 75 N N 2.508 121.356 118.700 0.246 0.000 2.710 75 N HA 0.188 4.974 4.740 0.076 0.000 0.257 75 N C 0.244 175.941 175.510 0.312 0.000 1.327 75 N CA -0.587 52.564 53.050 0.169 0.000 0.861 75 N CB 1.949 40.550 38.487 0.191 0.000 1.532 75 N HN 0.669 nan 8.380 nan 0.000 0.499 76 M N 1.535 121.329 119.600 0.323 0.000 2.117 76 M HA 0.040 4.565 4.480 0.076 0.000 0.262 76 M C 0.810 177.205 176.300 0.159 0.000 1.065 76 M CA 2.438 57.926 55.300 0.313 0.000 1.114 76 M CB -0.536 32.343 32.600 0.466 0.000 1.361 76 M HN 0.826 nan 8.290 nan 0.000 0.408 77 G N -0.981 107.714 108.800 -0.176 0.000 2.712 77 G HA2 0.133 4.139 3.960 0.076 0.000 0.683 77 G HA3 0.133 4.139 3.960 0.076 0.000 0.683 77 G C -0.429 174.193 174.900 -0.463 0.000 1.320 77 G CA -0.578 44.011 45.100 -0.851 0.000 0.847 77 G HN 0.926 nan 8.290 nan 0.000 0.553 78 G N -0.345 108.071 108.800 -0.641 0.000 2.718 78 G HA2 0.883 4.889 3.960 0.076 0.000 0.295 78 G HA3 0.883 4.889 3.960 0.076 0.000 0.295 78 G C -3.017 171.481 174.900 -0.670 0.000 1.421 78 G CA -0.263 44.413 45.100 -0.707 0.000 0.902 78 G HN 0.798 nan 8.290 nan 0.000 0.501 79 P HA 0.137 nan 4.420 nan 0.000 0.267 79 P C 0.303 177.342 177.300 -0.435 0.000 1.209 79 P CA 0.223 62.961 63.100 -0.604 0.000 0.763 79 P CB 1.815 33.067 31.700 -0.745 0.000 0.816 80 E N 1.290 121.356 120.200 -0.224 0.000 2.152 80 E HA -0.038 4.357 4.350 0.076 0.000 0.192 80 E C 0.833 177.358 176.600 -0.126 0.000 0.983 80 E CA 1.094 57.414 56.400 -0.133 0.000 0.818 80 E CB 0.120 29.791 29.700 -0.048 0.000 0.758 80 E HN 0.634 nan 8.360 nan 0.000 0.467 81 T N -3.376 111.095 114.554 -0.138 0.000 2.887 81 T HA 0.353 4.748 4.350 0.076 0.000 0.292 81 T C 0.962 175.577 174.700 -0.141 0.000 1.087 81 T CA -0.802 61.236 62.100 -0.103 0.000 1.009 81 T CB 1.087 69.924 68.868 -0.053 0.000 1.203 81 T HN -0.110 nan 8.240 nan 0.000 0.518 82 L N 0.503 121.673 121.223 -0.088 0.000 2.191 82 L HA 0.107 4.492 4.340 0.076 0.000 0.212 82 L C 2.833 179.675 176.870 -0.048 0.000 1.103 82 L CA 1.572 56.368 54.840 -0.074 0.000 0.769 82 L CB -0.944 41.104 42.059 -0.019 0.000 0.908 82 L HN 1.002 nan 8.230 nan 0.000 0.438 83 G N -0.641 108.140 108.800 -0.031 0.000 2.471 83 G HA2 -0.188 3.818 3.960 0.076 0.000 0.219 83 G HA3 -0.188 3.818 3.960 0.076 0.000 0.219 83 G C 1.112 176.022 174.900 0.017 0.000 1.125 83 G CA 0.426 45.525 45.100 -0.002 0.000 0.775 83 G HN 0.333 nan 8.290 nan 0.000 0.548 84 D N 0.204 120.594 120.400 -0.018 0.000 2.347 84 D HA 0.008 4.694 4.640 0.076 0.000 0.213 84 D C 2.560 178.878 176.300 0.028 0.000 0.985 84 D CA 0.054 54.059 54.000 0.008 0.000 0.879 84 D CB 0.447 41.222 40.800 -0.042 0.000 0.919 84 D HN 0.181 nan 8.370 nan 0.000 0.526 85 V N 1.369 121.274 119.914 -0.015 0.000 2.287 85 V HA -0.276 3.889 4.120 0.076 0.000 0.248 85 V C 2.471 178.664 176.094 0.165 0.000 1.053 85 V CA 1.638 63.967 62.300 0.048 0.000 1.027 85 V CB -0.634 31.195 31.823 0.011 0.000 0.646 85 V HN 0.390 nan 8.190 nan 0.000 0.447 86 H N 0.397 119.507 119.070 0.066 0.000 2.319 86 H HA -0.183 4.419 4.556 0.077 0.000 0.299 86 H C 2.094 177.467 175.328 0.075 0.000 1.092 86 H CA 2.206 58.289 56.048 0.059 0.000 1.302 86 H CB -0.147 29.634 29.762 0.032 0.000 1.373 86 H HN 0.421 nan 8.280 nan 0.000 0.497 87 D N -0.033 120.518 120.400 0.251 0.000 2.219 87 D HA -0.122 4.564 4.640 0.076 0.000 0.205 87 D C 2.087 178.462 176.300 0.125 0.000 0.970 87 D CA 0.429 54.542 54.000 0.189 0.000 0.851 87 D CB -0.654 40.263 40.800 0.194 0.000 0.943 87 D HN 0.325 nan 8.370 nan 0.000 0.488 88 F N 1.720 121.663 119.950 -0.012 0.000 2.075 88 F HA -0.146 4.426 4.527 0.074 0.000 0.297 88 F C 2.031 177.780 175.800 -0.085 0.000 1.113 88 F CA 1.252 59.232 58.000 -0.032 0.000 1.218 88 F CB -0.591 38.367 39.000 -0.070 0.000 0.984 88 F HN -0.136 nan 8.300 nan 0.000 0.472 89 L N -0.332 120.716 121.223 -0.291 0.000 2.046 89 L HA -0.198 4.187 4.340 0.076 0.000 0.208 89 L C 2.484 179.250 176.870 -0.173 0.000 1.077 89 L CA 1.056 55.686 54.840 -0.351 0.000 0.747 89 L CB -0.925 41.078 42.059 -0.094 0.000 0.896 89 L HN 0.315 nan 8.230 nan 0.000 0.432 90 L N 0.151 121.281 121.223 -0.155 0.000 1.989 90 L HA -0.211 4.174 4.340 0.076 0.000 0.211 90 L C 2.740 179.591 176.870 -0.032 0.000 1.071 90 L CA 1.791 56.590 54.840 -0.068 0.000 0.749 90 L CB -0.528 41.500 42.059 -0.053 0.000 0.890 90 L HN 0.094 nan 8.230 nan 0.000 0.431 91 R N -0.783 119.691 120.500 -0.043 0.000 2.120 91 R HA -0.138 4.248 4.340 0.076 0.000 0.234 91 R C 2.330 178.580 176.300 -0.083 0.000 1.123 91 R CA 1.614 57.735 56.100 0.035 0.000 0.975 91 R CB -0.591 29.811 30.300 0.171 0.000 0.866 91 R HN 0.431 nan 8.270 nan 0.000 0.446 92 L N -0.147 120.760 121.223 -0.527 0.000 2.093 92 L HA -0.079 4.306 4.340 0.076 0.000 0.208 92 L C 1.484 177.931 176.870 -0.705 0.000 1.085 92 L CA 1.367 55.546 54.840 -1.102 0.000 0.755 92 L CB -0.033 41.114 42.059 -1.521 0.000 0.904 92 L HN 0.043 nan 8.230 nan 0.000 0.435 93 F N -0.929 118.838 119.950 -0.304 0.000 2.780 93 F HA 0.007 4.581 4.527 0.077 0.000 0.299 93 F C 1.794 177.537 175.800 -0.095 0.000 1.146 93 F CA 0.390 58.283 58.000 -0.179 0.000 1.428 93 F CB 0.090 38.997 39.000 -0.155 0.000 1.115 93 F HN 0.007 nan 8.300 nan 0.000 0.583 94 L N -0.873 120.380 121.223 0.050 0.000 2.567 94 L HA 0.040 4.426 4.340 0.076 0.000 0.225 94 L C 0.338 177.242 176.870 0.056 0.000 1.119 94 L CA 0.038 54.916 54.840 0.063 0.000 0.871 94 L CB -0.121 41.976 42.059 0.064 0.000 1.036 94 L HN -0.118 nan 8.230 nan 0.000 0.459 95 D N 0.554 120.981 120.400 0.045 0.000 2.338 95 D HA 0.013 4.699 4.640 0.076 0.000 0.255 95 D C 1.179 177.504 176.300 0.041 0.000 1.237 95 D CA -0.019 54.028 54.000 0.078 0.000 0.883 95 D CB 0.897 41.798 40.800 0.168 0.000 1.087 95 D HN -0.078 nan 8.370 nan 0.000 0.485 96 R N 3.105 123.632 120.500 0.044 0.000 2.115 96 R HA -0.076 4.310 4.340 0.076 0.000 0.230 96 R C 0.869 177.183 176.300 0.023 0.000 1.111 96 R CA 0.694 56.813 56.100 0.032 0.000 0.976 96 R CB -0.285 30.036 30.300 0.035 0.000 0.870 96 R HN 0.516 nan 8.270 nan 0.000 0.445 97 D N 0.747 121.166 120.400 0.031 0.000 2.263 97 D HA -0.114 4.572 4.640 0.076 0.000 0.208 97 D C 1.772 178.070 176.300 -0.003 0.000 0.971 97 D CA 0.682 54.694 54.000 0.020 0.000 0.867 97 D CB 0.050 40.869 40.800 0.032 0.000 0.929 97 D HN 0.084 nan 8.370 nan 0.000 0.492 98 L N -0.491 120.731 121.223 -0.002 0.000 2.357 98 L HA 0.232 4.618 4.340 0.076 0.000 0.211 98 L C 0.412 177.246 176.870 -0.060 0.000 1.075 98 L CA 0.702 55.517 54.840 -0.041 0.000 0.830 98 L CB 0.127 42.154 42.059 -0.053 0.000 0.996 98 L HN -0.027 nan 8.230 nan 0.000 0.467 99 M N -1.287 118.293 119.600 -0.033 0.000 2.366 99 M HA 0.356 4.882 4.480 0.076 0.000 0.287 99 M C -1.023 175.284 176.300 0.012 0.000 1.083 99 M CA -0.546 54.744 55.300 -0.017 0.000 0.934 99 M CB 0.849 33.444 32.600 -0.008 0.000 1.852 99 M HN -0.072 nan 8.290 nan 0.000 0.502 100 T N 2.097 116.657 114.554 0.011 0.000 2.845 100 T HA 0.830 5.226 4.350 0.076 0.000 0.288 100 T C -0.482 174.236 174.700 0.029 0.000 0.980 100 T CA -0.590 61.522 62.100 0.020 0.000 1.071 100 T CB 1.260 70.134 68.868 0.011 0.000 0.941 100 T HN 0.728 nan 8.240 nan 0.000 0.487 101 L N 2.613 123.858 121.223 0.036 0.000 2.434 101 L HA 0.517 4.903 4.340 0.076 0.000 0.260 101 L C -2.643 174.244 176.870 0.027 0.000 0.983 101 L CA -2.710 52.152 54.840 0.038 0.000 0.820 101 L CB 2.540 44.634 42.059 0.057 0.000 1.361 101 L HN 0.428 nan 8.230 nan 0.000 0.410 102 P HA 0.157 nan 4.420 nan 0.000 0.268 102 P C 0.269 177.576 177.300 0.012 0.000 1.205 102 P CA -0.191 62.916 63.100 0.012 0.000 0.771 102 P CB 0.258 31.962 31.700 0.006 0.000 0.858 103 I N -1.328 119.248 120.570 0.009 0.000 3.859 103 I HA -0.379 3.837 4.170 0.076 0.000 0.126 103 I C 1.035 177.163 176.117 0.018 0.000 1.065 103 I CA 0.570 61.876 61.300 0.009 0.000 2.735 103 I CB -1.476 36.523 38.000 -0.002 0.000 1.465 103 I HN 0.472 nan 8.210 nan 0.000 0.341 104 Q N 2.203 122.019 119.800 0.027 0.000 2.077 104 Q HA -0.224 4.161 4.340 0.076 0.000 0.206 104 Q C 1.836 177.863 176.000 0.044 0.000 0.989 104 Q CA 2.455 58.282 55.803 0.041 0.000 0.853 104 Q CB -0.019 28.747 28.738 0.047 0.000 0.907 104 Q HN 0.839 nan 8.270 nan 0.000 0.418 105 N N 0.218 118.941 118.700 0.038 0.000 2.348 105 N HA -0.153 4.632 4.740 0.076 0.000 0.185 105 N C 1.152 176.686 175.510 0.042 0.000 1.019 105 N CA 1.221 54.295 53.050 0.041 0.000 0.880 105 N CB 0.037 38.544 38.487 0.033 0.000 0.965 105 N HN 0.318 nan 8.380 nan 0.000 0.437 106 K N 0.023 120.443 120.400 0.034 0.000 2.244 106 K HA 0.214 4.580 4.320 0.076 0.000 0.200 106 K C 2.045 178.674 176.600 0.049 0.000 1.052 106 K CA 0.109 56.415 56.287 0.032 0.000 0.980 106 K CB 0.237 32.742 32.500 0.008 0.000 0.838 106 K HN 0.022 nan 8.250 nan 0.000 0.481 107 L N 0.927 122.176 121.223 0.044 0.000 2.109 107 L HA -0.047 4.338 4.340 0.076 0.000 0.207 107 L C 2.607 179.513 176.870 0.060 0.000 1.086 107 L CA 0.827 55.710 54.840 0.072 0.000 0.760 107 L CB -0.645 41.438 42.059 0.040 0.000 0.910 107 L HN 0.162 nan 8.230 nan 0.000 0.437 108 A N 1.365 124.204 122.820 0.032 0.000 1.869 108 A HA -0.186 4.180 4.320 0.076 0.000 0.218 108 A C 0.106 177.673 177.584 -0.028 0.000 1.203 108 A CA 2.292 54.335 52.037 0.010 0.000 0.638 108 A CB -2.048 17.002 19.000 0.082 0.000 0.831 108 A HN 0.310 nan 8.150 nan 0.000 0.450 109 P HA -0.179 nan 4.420 nan 0.000 0.216 109 P C 1.583 178.907 177.300 0.040 0.000 1.150 109 P CA 1.383 64.513 63.100 0.049 0.000 0.837 109 P CB -0.251 31.513 31.700 0.107 0.000 0.786 110 F N 1.254 121.167 119.950 -0.061 0.000 2.113 110 F HA -0.123 4.450 4.527 0.076 0.000 0.297 110 F C 2.261 177.978 175.800 -0.138 0.000 1.103 110 F CA 1.256 59.214 58.000 -0.070 0.000 1.248 110 F CB -1.033 37.926 39.000 -0.069 0.000 0.999 110 F HN -0.300 nan 8.300 nan 0.000 0.475 111 I N 0.486 120.793 120.570 -0.438 0.000 2.286 111 I HA -0.305 3.910 4.170 0.076 0.000 0.248 111 I C 2.687 178.437 176.117 -0.612 0.000 1.115 111 I CA 1.185 62.079 61.300 -0.676 0.000 1.392 111 I CB -1.091 36.399 38.000 -0.849 0.000 1.065 111 I HN 0.272 nan 8.210 nan 0.000 0.418 112 A N 1.234 123.779 122.820 -0.457 0.000 1.902 112 A HA -0.249 4.117 4.320 0.076 0.000 0.217 112 A C 2.645 180.040 177.584 -0.316 0.000 1.181 112 A CA 2.496 54.322 52.037 -0.353 0.000 0.623 112 A CB -0.856 17.896 19.000 -0.413 0.000 0.818 112 A HN 0.397 nan 8.150 nan 0.000 0.443 113 K N 0.697 120.950 120.400 -0.244 0.000 2.097 113 K HA -0.183 4.183 4.320 0.076 0.000 0.206 113 K C 2.049 178.552 176.600 -0.161 0.000 1.049 113 K CA 1.792 58.038 56.287 -0.069 0.000 0.933 113 K CB -0.780 31.718 32.500 -0.002 0.000 0.717 113 K HN 0.865 nan 8.250 nan 0.000 0.442 114 R N 0.090 120.379 120.500 -0.352 0.000 2.153 114 R HA 0.219 4.604 4.340 0.076 0.000 0.218 114 R C 2.155 178.344 176.300 -0.184 0.000 1.072 114 R CA 1.096 57.020 56.100 -0.293 0.000 0.990 114 R CB -0.339 29.692 30.300 -0.448 0.000 0.889 114 R HN 0.330 nan 8.270 nan 0.000 0.452 115 L N 0.792 121.903 121.223 -0.186 0.000 2.341 115 L HA 0.052 4.438 4.340 0.076 0.000 0.214 115 L C 1.774 178.624 176.870 -0.034 0.000 1.115 115 L CA 0.797 55.581 54.840 -0.093 0.000 0.820 115 L CB -0.371 41.648 42.059 -0.067 0.000 0.944 115 L HN 0.247 nan 8.230 nan 0.000 0.452 116 T N 0.799 115.334 114.554 -0.032 0.000 2.624 116 T HA -0.169 4.227 4.350 0.076 0.000 0.268 116 T C -0.470 174.248 174.700 0.030 0.000 1.041 116 T CA 1.863 63.979 62.100 0.025 0.000 1.159 116 T CB -1.066 67.847 68.868 0.076 0.000 0.863 116 T HN 0.222 nan 8.240 nan 0.000 0.434 117 P HA -0.056 nan 4.420 nan 0.000 0.215 117 P C 1.652 178.954 177.300 0.003 0.000 1.153 117 P CA 2.119 65.224 63.100 0.008 0.000 0.853 117 P CB -0.163 31.536 31.700 -0.002 0.000 0.788 118 K N -0.196 120.200 120.400 -0.006 0.000 2.097 118 K HA -0.111 4.254 4.320 0.076 0.000 0.205 118 K C 1.853 178.436 176.600 -0.028 0.000 1.050 118 K CA 1.629 57.905 56.287 -0.018 0.000 0.938 118 K CB -1.687 30.801 32.500 -0.019 0.000 0.718 118 K HN 0.043 nan 8.250 nan 0.000 0.442 119 I N 1.577 122.156 120.570 0.016 0.000 2.353 119 I HA -0.178 4.038 4.170 0.076 0.000 0.248 119 I C 2.570 178.770 176.117 0.138 0.000 1.119 119 I CA 1.201 62.543 61.300 0.070 0.000 1.417 119 I CB -1.149 36.949 38.000 0.163 0.000 1.078 119 I HN 0.470 nan 8.210 nan 0.000 0.421 120 Q N 0.415 120.273 119.800 0.097 0.000 2.124 120 Q HA -0.259 4.126 4.340 0.076 0.000 0.202 120 Q C 2.111 178.145 176.000 0.056 0.000 0.977 120 Q CA 1.710 57.568 55.803 0.091 0.000 0.850 120 Q CB -0.107 28.657 28.738 0.043 0.000 0.901 120 Q HN 0.382 nan 8.270 nan 0.000 0.429 121 E N 1.091 121.290 120.200 -0.001 0.000 2.110 121 E HA -0.206 4.189 4.350 0.076 0.000 0.193 121 E C 1.773 178.300 176.600 -0.122 0.000 0.988 121 E CA 1.471 57.849 56.400 -0.037 0.000 0.804 121 E CB 0.025 29.705 29.700 -0.034 0.000 0.745 121 E HN 0.315 nan 8.360 nan 0.000 0.458 122 Q N -1.215 118.427 119.800 -0.263 0.000 2.079 122 Q HA -0.155 4.230 4.340 0.076 0.000 0.200 122 Q C 1.913 177.611 176.000 -0.503 0.000 0.974 122 Q CA 1.596 56.987 55.803 -0.687 0.000 0.840 122 Q CB -0.222 27.946 28.738 -0.950 0.000 0.898 122 Q HN 0.447 nan 8.270 nan 0.000 0.430 123 Y N 0.121 120.283 120.300 -0.230 0.000 2.293 123 Y HA -0.155 4.440 4.550 0.076 0.000 0.291 123 Y C 2.462 178.313 175.900 -0.082 0.000 1.137 123 Y CA 1.104 59.120 58.100 -0.139 0.000 1.202 123 Y CB -0.031 38.358 38.460 -0.119 0.000 0.990 123 Y HN 0.034 nan 8.280 nan 0.000 0.537 124 R N 0.447 120.982 120.500 0.058 0.000 2.096 124 R HA -0.139 4.246 4.340 0.076 0.000 0.235 124 R C 1.987 178.303 176.300 0.026 0.000 1.127 124 R CA 1.057 57.179 56.100 0.037 0.000 0.968 124 R CB 0.028 30.341 30.300 0.022 0.000 0.861 124 R HN 0.089 nan 8.270 nan 0.000 0.440 125 R N 0.885 121.392 120.500 0.011 0.000 2.241 125 R HA -0.103 4.283 4.340 0.076 0.000 0.224 125 R C 1.927 178.269 176.300 0.069 0.000 1.101 125 R CA 1.127 57.263 56.100 0.060 0.000 0.995 125 R CB -0.399 29.993 30.300 0.154 0.000 0.870 125 R HN 0.549 nan 8.270 nan 0.000 0.463 126 I N -4.840 115.755 120.570 0.042 0.000 3.976 126 I HA 0.429 4.644 4.170 0.076 0.000 0.337 126 I C 0.819 176.961 176.117 0.043 0.000 1.359 126 I CA 0.472 61.798 61.300 0.044 0.000 1.098 126 I CB 0.877 38.892 38.000 0.024 0.000 1.027 126 I HN 0.071 nan 8.210 nan 0.000 0.394 127 G N 0.832 109.657 108.800 0.042 0.000 2.260 127 G HA2 -0.014 3.992 3.960 0.076 0.000 0.179 127 G HA3 -0.014 3.992 3.960 0.076 0.000 0.179 127 G C 0.949 175.872 174.900 0.037 0.000 1.002 127 G CA -0.431 44.691 45.100 0.035 0.000 0.677 127 G HN 1.243 nan 8.290 nan 0.000 0.486 128 G N -1.270 107.566 108.800 0.060 0.000 2.179 128 G HA2 0.508 4.514 3.960 0.076 0.000 0.220 128 G HA3 0.508 4.514 3.960 0.076 0.000 0.220 128 G C 1.259 176.187 174.900 0.046 0.000 0.990 128 G CA 0.877 46.007 45.100 0.050 0.000 0.646 128 G HN 2.552 nan 8.290 nan 0.000 0.517 129 G N -1.404 107.456 108.800 0.100 0.000 2.328 129 G HA2 0.622 4.627 3.960 0.076 0.000 0.295 129 G HA3 0.622 4.627 3.960 0.076 0.000 0.295 129 G C -0.770 174.213 174.900 0.138 0.000 1.413 129 G CA 0.648 45.775 45.100 0.044 0.000 0.817 129 G HN 1.418 nan 8.290 nan 0.000 0.546 130 S N 0.113 115.834 115.700 0.035 0.000 2.554 130 S HA 0.691 5.207 4.470 0.076 0.000 0.278 130 S C -1.270 173.336 174.600 0.009 0.000 1.242 130 S CA -1.207 57.038 58.200 0.075 0.000 1.051 130 S CB 1.647 64.843 63.200 -0.007 0.000 0.986 130 S HN 0.463 nan 8.310 nan 0.000 0.502 131 P HA 0.134 nan 4.420 nan 0.000 0.261 131 P C 1.295 178.622 177.300 0.045 0.000 1.268 131 P CA 0.034 63.130 63.100 -0.006 0.000 0.833 131 P CB -0.284 31.449 31.700 0.054 0.000 1.231 132 I N -0.300 120.310 120.570 0.068 0.000 2.194 132 I HA -0.226 3.990 4.170 0.076 0.000 0.246 132 I C 2.291 178.524 176.117 0.195 0.000 1.093 132 I CA 1.798 63.151 61.300 0.089 0.000 1.355 132 I CB -1.437 36.498 38.000 -0.108 0.000 1.046 132 I HN -0.186 nan 8.210 nan 0.000 0.413 133 K N 1.097 121.612 120.400 0.192 0.000 2.097 133 K HA -0.043 4.323 4.320 0.076 0.000 0.205 133 K C 2.137 178.824 176.600 0.145 0.000 1.050 133 K CA 1.523 58.015 56.287 0.341 0.000 0.938 133 K CB -0.181 32.515 32.500 0.327 0.000 0.718 133 K HN 0.467 nan 8.250 nan 0.000 0.442 134 I N -0.454 120.112 120.570 -0.007 0.000 2.179 134 I HA -0.268 3.947 4.170 0.076 0.000 0.242 134 I C 1.943 177.974 176.117 -0.143 0.000 1.088 134 I CA 1.468 62.668 61.300 -0.167 0.000 1.357 134 I CB -0.333 37.427 38.000 -0.401 0.000 1.051 134 I HN 0.330 nan 8.210 nan 0.000 0.409 135 W N 0.784 122.100 121.300 0.027 0.000 2.388 135 W HA -0.158 4.549 4.660 0.078 0.000 0.294 135 W C 2.758 179.285 176.519 0.014 0.000 1.212 135 W CA 0.897 58.247 57.345 0.008 0.000 1.271 135 W CB -0.536 28.914 29.460 -0.016 0.000 1.126 135 W HN -0.011 nan 8.180 nan 0.000 0.535 136 T N -0.500 114.215 114.554 0.269 0.000 2.746 136 T HA -0.193 4.202 4.350 0.076 0.000 0.267 136 T C 1.810 176.504 174.700 -0.010 0.000 1.039 136 T CA 1.738 63.934 62.100 0.160 0.000 1.142 136 T CB -0.541 68.470 68.868 0.239 0.000 0.866 136 T HN -0.004 nan 8.240 nan 0.000 0.444 137 S N 1.077 116.783 115.700 0.009 0.000 2.356 137 S HA -0.086 4.430 4.470 0.076 0.000 0.223 137 S C 2.089 176.579 174.600 -0.183 0.000 1.032 137 S CA 1.120 59.268 58.200 -0.087 0.000 1.005 137 S CB -0.172 63.060 63.200 0.055 0.000 0.867 137 S HN 0.519 nan 8.310 nan 0.000 0.449 138 K N 0.904 121.284 120.400 -0.035 0.000 2.097 138 K HA -0.086 4.280 4.320 0.076 0.000 0.206 138 K C 2.417 179.004 176.600 -0.021 0.000 1.049 138 K CA 1.154 57.446 56.287 0.007 0.000 0.933 138 K CB -0.161 32.418 32.500 0.131 0.000 0.717 138 K HN 0.426 nan 8.250 nan 0.000 0.442 139 Q N -0.210 119.592 119.800 0.004 0.000 2.083 139 Q HA -0.075 4.311 4.340 0.076 0.000 0.198 139 Q C 2.326 178.200 176.000 -0.210 0.000 0.969 139 Q CA 1.329 57.122 55.803 -0.016 0.000 0.838 139 Q CB -0.168 28.647 28.738 0.128 0.000 0.900 139 Q HN 0.448 nan 8.270 nan 0.000 0.436 140 G N 1.166 109.708 108.800 -0.431 0.000 2.418 140 G HA2 -0.272 3.734 3.960 0.076 0.000 0.217 140 G HA3 -0.272 3.734 3.960 0.076 0.000 0.217 140 G C 1.086 175.635 174.900 -0.585 0.000 1.158 140 G CA 0.749 45.405 45.100 -0.740 0.000 0.771 140 G HN 0.301 nan 8.290 nan 0.000 0.545 141 E N 0.074 119.963 120.200 -0.518 0.000 2.077 141 E HA -0.048 4.348 4.350 0.076 0.000 0.193 141 E C 2.758 179.317 176.600 -0.068 0.000 0.989 141 E CA 0.699 57.031 56.400 -0.112 0.000 0.800 141 E CB -0.329 29.359 29.700 -0.021 0.000 0.746 141 E HN 0.385 nan 8.360 nan 0.000 0.452 142 G N 1.299 110.045 108.800 -0.091 0.000 2.418 142 G HA2 -0.300 3.706 3.960 0.076 0.000 0.217 142 G HA3 -0.300 3.706 3.960 0.076 0.000 0.217 142 G C 1.537 176.385 174.900 -0.088 0.000 1.158 142 G CA 0.854 45.916 45.100 -0.063 0.000 0.771 142 G HN 0.150 nan 8.290 nan 0.000 0.545 143 M N 0.338 119.862 119.600 -0.127 0.000 2.065 143 M HA -0.092 4.434 4.480 0.076 0.000 0.259 143 M C 2.541 178.776 176.300 -0.107 0.000 1.069 143 M CA 1.590 56.808 55.300 -0.136 0.000 1.110 143 M CB -0.239 32.273 32.600 -0.147 0.000 1.328 143 M HN 0.087 nan 8.290 nan 0.000 0.405 144 V N 1.134 121.018 119.914 -0.049 0.000 2.287 144 V HA -0.328 3.837 4.120 0.076 0.000 0.248 144 V C 2.438 178.513 176.094 -0.031 0.000 1.053 144 V CA 2.390 64.688 62.300 -0.004 0.000 1.027 144 V CB -0.975 30.917 31.823 0.116 0.000 0.646 144 V HN 0.582 nan 8.190 nan 0.000 0.447 145 K N -0.237 120.150 120.400 -0.023 0.000 2.113 145 K HA -0.197 4.169 4.320 0.076 0.000 0.208 145 K C 2.060 178.627 176.600 -0.054 0.000 1.047 145 K CA 1.710 57.983 56.287 -0.023 0.000 0.928 145 K CB -0.185 32.305 32.500 -0.017 0.000 0.716 145 K HN 0.433 nan 8.250 nan 0.000 0.446 146 L N 0.585 121.756 121.223 -0.087 0.000 2.095 146 L HA -0.111 4.275 4.340 0.076 0.000 0.204 146 L C 2.406 179.172 176.870 -0.174 0.000 1.080 146 L CA 0.638 55.410 54.840 -0.113 0.000 0.759 146 L CB -0.318 41.670 42.059 -0.117 0.000 0.914 146 L HN 0.189 nan 8.230 nan 0.000 0.439 147 L N -0.229 120.843 121.223 -0.252 0.000 2.083 147 L HA -0.238 4.147 4.340 0.076 0.000 0.209 147 L C 2.113 178.779 176.870 -0.340 0.000 1.083 147 L CA 1.027 55.594 54.840 -0.455 0.000 0.752 147 L CB -0.601 40.967 42.059 -0.820 0.000 0.899 147 L HN 0.287 nan 8.230 nan 0.000 0.433 148 D N -0.289 120.042 120.400 -0.115 0.000 2.221 148 D HA -0.161 4.525 4.640 0.076 0.000 0.204 148 D C 2.091 178.399 176.300 0.013 0.000 0.982 148 D CA 0.972 55.020 54.000 0.081 0.000 0.857 148 D CB 0.066 40.917 40.800 0.085 0.000 0.934 148 D HN 0.369 nan 8.370 nan 0.000 0.475 149 E N -0.359 119.809 120.200 -0.054 0.000 2.251 149 E HA 0.096 4.492 4.350 0.076 0.000 0.194 149 E C 2.426 178.967 176.600 -0.099 0.000 0.964 149 E CA -0.044 56.323 56.400 -0.055 0.000 0.868 149 E CB 0.007 29.676 29.700 -0.052 0.000 0.828 149 E HN 0.310 nan 8.360 nan 0.000 0.481 150 L N 0.306 121.415 121.223 -0.191 0.000 2.072 150 L HA 0.031 4.417 4.340 0.076 0.000 0.205 150 L C 1.342 177.979 176.870 -0.389 0.000 1.079 150 L CA 0.792 55.418 54.840 -0.356 0.000 0.752 150 L CB 0.152 41.876 42.059 -0.559 0.000 0.906 150 L HN -0.101 nan 8.230 nan 0.000 0.436 151 S N -1.027 114.540 115.700 -0.220 0.000 2.130 151 S HA 0.317 4.833 4.470 0.076 0.000 0.165 151 S C -1.931 172.742 174.600 0.123 0.000 1.677 151 S CA -1.325 56.868 58.200 -0.010 0.000 1.227 151 S CB 0.612 63.862 63.200 0.083 0.000 1.115 151 S HN -0.126 nan 8.310 nan 0.000 0.452 152 P HA -0.038 nan 4.420 nan 0.000 0.220 152 P C 1.173 178.497 177.300 0.039 0.000 1.148 152 P CA 0.776 63.908 63.100 0.053 0.000 0.803 152 P CB 0.121 31.837 31.700 0.027 0.000 0.782 153 N N -1.041 117.687 118.700 0.048 0.000 2.309 153 N HA -0.074 4.711 4.740 0.076 0.000 0.182 153 N C 1.348 176.858 175.510 0.001 0.000 1.018 153 N CA 1.892 54.959 53.050 0.027 0.000 0.876 153 N CB -0.623 37.889 38.487 0.041 0.000 0.972 153 N HN 0.306 nan 8.380 nan 0.000 0.434 154 T N -2.854 111.705 114.554 0.008 0.000 3.092 154 T HA 0.519 4.915 4.350 0.076 0.000 0.258 154 T C 0.567 174.994 174.700 -0.456 0.000 1.031 154 T CA -0.531 61.501 62.100 -0.113 0.000 0.925 154 T CB 0.338 69.224 68.868 0.030 0.000 1.036 154 T HN 0.112 nan 8.240 nan 0.000 0.544 155 A N 2.481 125.129 122.820 -0.287 0.000 2.304 155 A HA 0.697 5.062 4.320 0.076 0.000 0.271 155 A C -2.553 174.915 177.584 -0.193 0.000 1.091 155 A CA -1.596 50.252 52.037 -0.315 0.000 0.812 155 A CB -0.024 18.982 19.000 0.010 0.000 1.056 155 A HN 0.276 nan 8.150 nan 0.000 0.489 156 P HA 0.418 nan 4.420 nan 0.000 0.277 156 P C -0.984 176.196 177.300 -0.201 0.000 1.240 156 P CA 0.106 63.147 63.100 -0.098 0.000 0.798 156 P CB 0.497 32.174 31.700 -0.038 0.000 0.979 157 H N -0.045 119.025 119.070 0.001 0.000 2.499 157 H HA 0.594 5.195 4.556 0.076 0.000 0.340 157 H C 0.024 175.355 175.328 0.006 0.000 1.148 157 H CA -0.482 55.576 56.048 0.017 0.000 1.215 157 H CB 1.393 31.168 29.762 0.022 0.000 1.529 157 H HN 0.226 nan 8.280 nan 0.000 0.510 158 K N 2.150 122.623 120.400 0.121 0.000 2.468 158 K HA 0.265 4.631 4.320 0.076 0.000 0.252 158 K C -1.483 175.093 176.600 -0.040 0.000 0.932 158 K CA -0.956 55.296 56.287 -0.058 0.000 0.794 158 K CB 1.372 33.748 32.500 -0.205 0.000 1.241 158 K HN 0.645 nan 8.250 nan 0.000 0.428 159 Y N 1.381 121.574 120.300 -0.177 0.000 2.387 159 Y HA 0.576 5.171 4.550 0.076 0.000 0.330 159 Y C -1.607 174.130 175.900 -0.271 0.000 1.133 159 Y CA -0.783 57.267 58.100 -0.083 0.000 1.152 159 Y CB 0.781 39.215 38.460 -0.044 0.000 1.215 159 Y HN 0.372 nan 8.280 nan 0.000 0.466 160 Y N 3.553 123.896 120.300 0.070 0.000 2.442 160 Y HA 0.549 5.144 4.550 0.075 0.000 0.344 160 Y C -0.591 175.342 175.900 0.055 0.000 0.976 160 Y CA -1.426 56.652 58.100 -0.036 0.000 1.040 160 Y CB 1.833 40.272 38.460 -0.034 0.000 1.228 160 Y HN 0.587 nan 8.280 nan 0.000 0.451 161 I N 2.454 123.082 120.570 0.096 0.000 2.331 161 I HA 0.475 4.691 4.170 0.076 0.000 0.292 161 I C 0.462 176.461 176.117 -0.197 0.000 0.998 161 I CA -0.342 60.884 61.300 -0.123 0.000 1.267 161 I CB 1.235 39.020 38.000 -0.357 0.000 1.386 161 I HN 0.889 nan 8.210 nan 0.000 0.476 162 G N 7.064 115.769 108.800 -0.159 0.000 3.302 162 G HA2 0.468 4.473 3.960 0.076 0.000 0.338 162 G HA3 0.468 4.473 3.960 0.076 0.000 0.338 162 G C -0.600 174.311 174.900 0.018 0.000 1.405 162 G CA -0.307 44.758 45.100 -0.058 0.000 1.090 162 G HN 0.415 nan 8.290 nan 0.000 0.482 163 F N 0.691 120.671 119.950 0.049 0.000 2.399 163 F HA 0.299 4.871 4.527 0.075 0.000 0.342 163 F C 1.744 177.509 175.800 -0.058 0.000 1.106 163 F CA -1.148 56.866 58.000 0.023 0.000 1.196 163 F CB 1.953 40.983 39.000 0.049 0.000 1.163 163 F HN 0.391 nan 8.300 nan 0.000 0.547 164 R N 1.681 122.208 120.500 0.044 0.000 2.090 164 R HA -0.080 4.305 4.340 0.076 0.000 0.228 164 R C 0.607 176.596 176.300 -0.518 0.000 1.110 164 R CA 1.759 57.633 56.100 -0.377 0.000 0.973 164 R CB -0.227 29.616 30.300 -0.763 0.000 0.869 164 R HN 0.722 nan 8.270 nan 0.000 0.440 165 Y N -1.223 119.183 120.300 0.176 0.000 2.500 165 Y HA 0.301 4.895 4.550 0.074 0.000 0.246 165 Y C -0.225 175.778 175.900 0.172 0.000 1.146 165 Y CA -0.600 57.585 58.100 0.141 0.000 1.230 165 Y CB 1.089 39.617 38.460 0.113 0.000 1.214 165 Y HN -0.137 nan 8.280 nan 0.000 0.526 166 V N -4.271 115.788 119.914 0.240 0.000 3.159 166 V HA 0.473 4.639 4.120 0.076 0.000 0.308 166 V C -0.547 175.626 176.094 0.132 0.000 1.190 166 V CA -1.354 61.028 62.300 0.136 0.000 1.037 166 V CB 1.562 33.455 31.823 0.118 0.000 1.060 166 V HN -0.031 nan 8.190 nan 0.000 0.437 167 H N 2.591 121.786 119.070 0.208 0.000 2.815 167 H HA 0.354 4.956 4.556 0.077 0.000 0.350 167 H C -2.325 173.140 175.328 0.227 0.000 1.080 167 H CA -0.957 55.192 56.048 0.168 0.000 1.433 167 H CB 1.315 31.141 29.762 0.107 0.000 1.432 167 H HN 0.587 nan 8.280 nan 0.000 0.592 168 P HA 0.139 nan 4.420 nan 0.000 0.287 168 P C 0.028 177.391 177.300 0.106 0.000 1.294 168 P CA -0.315 62.882 63.100 0.162 0.000 0.776 168 P CB 0.849 32.569 31.700 0.032 0.000 0.889 169 L N 2.622 123.920 121.223 0.125 0.000 2.467 169 L HA 0.055 4.440 4.340 0.076 0.000 0.270 169 L C 2.112 178.990 176.870 0.013 0.000 1.205 169 L CA -0.052 54.820 54.840 0.054 0.000 0.828 169 L CB -0.254 41.819 42.059 0.023 0.000 1.101 169 L HN 0.381 nan 8.230 nan 0.000 0.479 170 T N -0.056 114.494 114.554 -0.006 0.000 2.699 170 T HA -0.202 4.194 4.350 0.076 0.000 0.268 170 T C 1.540 176.168 174.700 -0.119 0.000 1.036 170 T CA 1.730 63.810 62.100 -0.034 0.000 1.147 170 T CB -0.142 68.710 68.868 -0.026 0.000 0.862 170 T HN 0.569 nan 8.240 nan 0.000 0.446 171 E N 1.336 121.464 120.200 -0.121 0.000 2.051 171 E HA -0.112 4.284 4.350 0.076 0.000 0.192 171 E C 2.285 178.743 176.600 -0.237 0.000 0.991 171 E CA 1.179 57.438 56.400 -0.234 0.000 0.799 171 E CB -0.312 29.390 29.700 0.004 0.000 0.748 171 E HN 0.632 nan 8.360 nan 0.000 0.449 172 E N 0.433 120.592 120.200 -0.067 0.000 2.110 172 E HA -0.169 4.227 4.350 0.076 0.000 0.193 172 E C 2.055 178.619 176.600 -0.059 0.000 0.988 172 E CA 0.994 57.381 56.400 -0.021 0.000 0.804 172 E CB -0.205 29.535 29.700 0.067 0.000 0.745 172 E HN 0.284 nan 8.360 nan 0.000 0.458 173 A N 1.403 124.183 122.820 -0.066 0.000 1.877 173 A HA -0.161 4.204 4.320 0.076 0.000 0.216 173 A C 2.212 179.693 177.584 -0.171 0.000 1.186 173 A CA 1.067 53.073 52.037 -0.052 0.000 0.620 173 A CB -0.581 18.417 19.000 -0.003 0.000 0.822 173 A HN 0.126 nan 8.150 nan 0.000 0.443 174 I N -0.634 119.787 120.570 -0.249 0.000 2.226 174 I HA -0.264 3.951 4.170 0.076 0.000 0.245 174 I C 2.558 178.505 176.117 -0.283 0.000 1.100 174 I CA 1.820 62.946 61.300 -0.291 0.000 1.374 174 I CB -0.388 37.224 38.000 -0.647 0.000 1.057 174 I HN 0.537 nan 8.210 nan 0.000 0.413 175 E N 1.084 121.094 120.200 -0.318 0.000 2.118 175 E HA -0.293 4.103 4.350 0.076 0.000 0.195 175 E C 2.140 178.716 176.600 -0.041 0.000 0.992 175 E CA 1.427 57.771 56.400 -0.093 0.000 0.804 175 E CB 0.008 29.697 29.700 -0.019 0.000 0.741 175 E HN 0.438 nan 8.360 nan 0.000 0.458 176 E N -0.211 119.953 120.200 -0.059 0.000 2.107 176 E HA -0.173 4.222 4.350 0.076 0.000 0.191 176 E C 2.113 178.678 176.600 -0.057 0.000 0.982 176 E CA 0.934 57.333 56.400 -0.001 0.000 0.809 176 E CB 0.004 29.757 29.700 0.088 0.000 0.756 176 E HN 0.347 nan 8.360 nan 0.000 0.459 177 M N 0.510 119.932 119.600 -0.297 0.000 2.117 177 M HA -0.161 4.365 4.480 0.076 0.000 0.262 177 M C 2.093 178.302 176.300 -0.152 0.000 1.065 177 M CA 1.319 56.343 55.300 -0.460 0.000 1.114 177 M CB -0.088 32.121 32.600 -0.653 0.000 1.361 177 M HN 0.022 nan 8.290 nan 0.000 0.408 178 E N 0.228 120.399 120.200 -0.048 0.000 2.072 178 E HA -0.150 4.246 4.350 0.076 0.000 0.191 178 E C 2.077 178.698 176.600 0.034 0.000 0.985 178 E CA 1.042 57.468 56.400 0.042 0.000 0.801 178 E CB -0.222 29.560 29.700 0.137 0.000 0.750 178 E HN 0.540 nan 8.360 nan 0.000 0.452 179 R N 0.839 121.357 120.500 0.030 0.000 2.152 179 R HA -0.103 4.282 4.340 0.076 0.000 0.232 179 R C 1.420 177.739 176.300 0.032 0.000 1.117 179 R CA 0.958 57.079 56.100 0.035 0.000 0.981 179 R CB -0.090 30.231 30.300 0.036 0.000 0.870 179 R HN 0.136 nan 8.270 nan 0.000 0.451 180 D N -0.126 120.295 120.400 0.036 0.000 2.363 180 D HA 0.013 4.698 4.640 0.076 0.000 0.226 180 D C 0.733 177.048 176.300 0.024 0.000 1.020 180 D CA 0.695 54.723 54.000 0.048 0.000 0.892 180 D CB 0.089 40.957 40.800 0.114 0.000 0.900 180 D HN 0.351 nan 8.370 nan 0.000 0.531 181 G N 1.683 110.490 108.800 0.012 0.000 2.372 181 G HA2 -0.289 3.717 3.960 0.076 0.000 0.297 181 G HA3 -0.289 3.717 3.960 0.076 0.000 0.297 181 G C 0.217 175.108 174.900 -0.015 0.000 1.005 181 G CA 0.045 45.146 45.100 0.002 0.000 1.173 181 G HN 0.292 nan 8.290 nan 0.000 0.511 182 L N -0.960 120.241 121.223 -0.036 0.000 2.439 182 L HA 0.392 4.777 4.340 0.076 0.000 0.261 182 L C 1.582 178.407 176.870 -0.075 0.000 1.153 182 L CA -0.535 54.270 54.840 -0.059 0.000 0.808 182 L CB 0.610 42.611 42.059 -0.096 0.000 1.126 182 L HN 0.340 nan 8.230 nan 0.000 0.460 183 E N 0.237 120.391 120.200 -0.077 0.000 2.201 183 E HA 0.112 4.507 4.350 0.076 0.000 0.193 183 E C 0.390 176.929 176.600 -0.101 0.000 0.957 183 E CA 0.304 56.660 56.400 -0.073 0.000 0.858 183 E CB 0.554 30.220 29.700 -0.057 0.000 0.816 183 E HN 0.357 nan 8.360 nan 0.000 0.475 184 R N 0.501 120.933 120.500 -0.114 0.000 2.534 184 R HA 0.584 4.970 4.340 0.076 0.000 0.301 184 R C -1.663 174.510 176.300 -0.210 0.000 0.961 184 R CA -0.324 55.701 56.100 -0.126 0.000 0.871 184 R CB 1.852 32.120 30.300 -0.054 0.000 1.170 184 R HN -0.002 nan 8.270 nan 0.000 0.446 185 A N 5.760 128.367 122.820 -0.356 0.000 2.335 185 A HA 0.539 4.905 4.320 0.076 0.000 0.304 185 A C -0.742 176.672 177.584 -0.284 0.000 1.118 185 A CA -0.660 51.011 52.037 -0.610 0.000 0.757 185 A CB 0.738 18.772 19.000 -1.611 0.000 1.188 185 A HN 0.692 nan 8.150 nan 0.000 0.460 186 I N 2.557 123.097 120.570 -0.050 0.000 2.382 186 I HA 0.421 4.637 4.170 0.076 0.000 0.286 186 I C 0.674 176.969 176.117 0.298 0.000 1.002 186 I CA -0.444 60.943 61.300 0.145 0.000 1.135 186 I CB 1.956 39.971 38.000 0.024 0.000 1.288 186 I HN 0.719 nan 8.210 nan 0.000 0.448 187 A N 7.643 130.758 122.820 0.492 0.000 2.437 187 A HA 0.258 4.624 4.320 0.076 0.000 0.303 187 A C -0.476 177.305 177.584 0.328 0.000 1.324 187 A CA 0.006 52.336 52.037 0.489 0.000 0.983 187 A CB -0.347 18.947 19.000 0.490 0.000 1.142 187 A HN 0.739 nan 8.150 nan 0.000 0.541 188 F N 4.001 124.035 119.950 0.139 0.000 2.303 188 F HA 0.225 4.796 4.527 0.073 0.000 0.368 188 F C 0.893 176.796 175.800 0.171 0.000 1.105 188 F CA -0.689 57.354 58.000 0.072 0.000 1.153 188 F CB 0.604 39.596 39.000 -0.012 0.000 1.362 188 F HN 0.518 nan 8.300 nan 0.000 0.511 189 T N 3.980 118.879 114.554 0.575 0.000 2.940 189 T HA -0.018 4.378 4.350 0.076 0.000 0.309 189 T C 0.863 175.803 174.700 0.400 0.000 1.056 189 T CA -0.204 62.167 62.100 0.451 0.000 1.137 189 T CB 0.922 70.098 68.868 0.512 0.000 0.976 189 T HN 0.652 nan 8.240 nan 0.000 0.547 190 Q N 3.277 123.174 119.800 0.162 0.000 2.246 190 Q HA 0.112 4.498 4.340 0.076 0.000 0.202 190 Q C -0.873 175.156 176.000 0.048 0.000 0.883 190 Q CA 0.287 56.154 55.803 0.107 0.000 0.952 190 Q CB 0.179 28.891 28.738 -0.042 0.000 1.078 190 Q HN 0.745 nan 8.270 nan 0.000 0.493 191 Y N 0.353 120.793 120.300 0.233 0.000 2.385 191 Y HA 0.219 4.815 4.550 0.077 0.000 0.341 191 Y C -1.451 174.368 175.900 -0.134 0.000 0.965 191 Y CA -2.288 55.872 58.100 0.101 0.000 1.180 191 Y CB 1.287 39.821 38.460 0.124 0.000 1.139 191 Y HN 0.008 nan 8.280 nan 0.000 0.502 192 P HA -0.132 nan 4.420 nan 0.000 0.218 192 P C -0.509 176.630 177.300 -0.269 0.000 1.149 192 P CA 1.317 63.845 63.100 -0.953 0.000 0.817 192 P CB 0.325 31.482 31.700 -0.905 0.000 0.785 193 Q N -1.178 118.629 119.800 0.012 0.000 2.314 193 Q HA 0.287 4.673 4.340 0.076 0.000 0.259 193 Q C -0.809 175.377 176.000 0.310 0.000 0.951 193 Q CA -0.637 55.263 55.803 0.161 0.000 0.909 193 Q CB 0.462 29.272 28.738 0.120 0.000 1.236 193 Q HN 0.131 nan 8.270 nan 0.000 0.444 194 Y N 1.625 122.032 120.300 0.178 0.000 2.526 194 Y HA 0.255 4.844 4.550 0.066 0.000 0.330 194 Y C -0.163 175.829 175.900 0.154 0.000 1.156 194 Y CA 0.630 58.822 58.100 0.154 0.000 1.419 194 Y CB 0.690 39.225 38.460 0.124 0.000 1.250 194 Y HN 0.582 nan 8.280 nan 0.000 0.540 195 S N 4.422 119.853 115.700 -0.448 0.000 2.547 195 S HA 0.272 4.788 4.470 0.076 0.000 0.281 195 S C 0.170 174.397 174.600 -0.622 0.000 1.118 195 S CA -0.946 57.039 58.200 -0.358 0.000 0.947 195 S CB 0.600 63.501 63.200 -0.498 0.000 1.053 195 S HN 0.956 nan 8.310 nan 0.000 0.482 196 C N 2.766 121.901 119.300 -0.276 0.000 2.419 196 C HA -0.004 4.502 4.460 0.076 0.000 0.283 196 C C 2.732 177.598 174.990 -0.206 0.000 1.373 196 C CA 1.081 59.994 59.018 -0.175 0.000 1.781 196 C CB -1.762 25.987 27.740 0.016 0.000 1.886 196 C HN 0.935 nan 8.230 nan 0.000 0.520 197 S N 0.676 116.226 115.700 -0.250 0.000 2.496 197 S HA -0.064 4.452 4.470 0.076 0.000 0.224 197 S C 1.377 175.826 174.600 -0.252 0.000 0.996 197 S CA 1.372 59.446 58.200 -0.211 0.000 0.927 197 S CB -0.534 62.538 63.200 -0.213 0.000 0.774 197 S HN 0.766 nan 8.310 nan 0.000 0.524 198 T N -0.928 113.369 114.554 -0.429 0.000 3.587 198 T HA 0.137 4.533 4.350 0.076 0.000 0.221 198 T C 1.838 176.298 174.700 -0.400 0.000 0.921 198 T CA 0.922 62.667 62.100 -0.591 0.000 1.426 198 T CB -1.212 66.873 68.868 -1.306 0.000 1.340 198 T HN 0.151 nan 8.240 nan 0.000 0.423 199 T N 1.688 115.962 114.554 -0.466 0.000 2.746 199 T HA 0.066 4.462 4.350 0.076 0.000 0.267 199 T C 2.220 176.813 174.700 -0.177 0.000 1.039 199 T CA 1.562 63.555 62.100 -0.179 0.000 1.142 199 T CB -1.192 67.558 68.868 -0.195 0.000 0.866 199 T HN 0.610 nan 8.240 nan 0.000 0.444 200 G N 0.689 109.240 108.800 -0.414 0.000 2.476 200 G HA2 -0.257 3.748 3.960 0.076 0.000 0.218 200 G HA3 -0.257 3.748 3.960 0.076 0.000 0.218 200 G C 1.865 176.765 174.900 -0.001 0.000 1.164 200 G CA 1.359 46.402 45.100 -0.094 0.000 0.768 200 G HN 0.531 nan 8.290 nan 0.000 0.560 201 S N 0.046 115.715 115.700 -0.051 0.000 2.382 201 S HA -0.100 4.415 4.470 0.076 0.000 0.228 201 S C 2.643 177.254 174.600 0.020 0.000 1.027 201 S CA 1.912 60.110 58.200 -0.004 0.000 0.991 201 S CB -0.365 62.828 63.200 -0.012 0.000 0.823 201 S HN 0.299 nan 8.310 nan 0.000 0.469 202 S N 1.242 116.961 115.700 0.032 0.000 2.368 202 S HA 0.118 4.634 4.470 0.076 0.000 0.224 202 S C 1.755 176.421 174.600 0.109 0.000 1.029 202 S CA 1.154 59.397 58.200 0.072 0.000 0.988 202 S CB -0.382 62.902 63.200 0.141 0.000 0.838 202 S HN 0.484 nan 8.310 nan 0.000 0.462 203 L N 1.636 122.945 121.223 0.144 0.000 2.093 203 L HA -0.092 4.293 4.340 0.076 0.000 0.208 203 L C 2.064 179.067 176.870 0.221 0.000 1.085 203 L CA 0.790 55.767 54.840 0.229 0.000 0.755 203 L CB -0.707 41.494 42.059 0.237 0.000 0.904 203 L HN 0.253 nan 8.230 nan 0.000 0.435 204 N N 0.634 119.428 118.700 0.157 0.000 2.223 204 N HA -0.146 4.640 4.740 0.076 0.000 0.185 204 N C 1.882 177.459 175.510 0.112 0.000 1.016 204 N CA 1.495 54.633 53.050 0.147 0.000 0.863 204 N CB -0.230 38.323 38.487 0.110 0.000 0.983 204 N HN 0.308 nan 8.380 nan 0.000 0.429 205 A N 0.969 123.826 122.820 0.061 0.000 1.969 205 A HA -0.024 4.342 4.320 0.076 0.000 0.218 205 A C 2.284 179.854 177.584 -0.024 0.000 1.169 205 A CA 0.702 52.749 52.037 0.017 0.000 0.635 205 A CB -0.484 18.514 19.000 -0.002 0.000 0.810 205 A HN 0.202 nan 8.150 nan 0.000 0.445 206 I N -1.979 118.565 120.570 -0.043 0.000 2.202 206 I HA -0.231 3.984 4.170 0.076 0.000 0.242 206 I C 2.483 178.422 176.117 -0.296 0.000 1.091 206 I CA 1.704 62.895 61.300 -0.182 0.000 1.368 206 I CB -0.496 37.366 38.000 -0.230 0.000 1.058 206 I HN 0.538 nan 8.210 nan 0.000 0.410 207 Y N 2.157 122.186 120.300 -0.451 0.000 2.145 207 Y HA -0.206 4.390 4.550 0.077 0.000 0.286 207 Y C 2.708 178.443 175.900 -0.274 0.000 1.145 207 Y CA 1.502 59.235 58.100 -0.612 0.000 1.148 207 Y CB -0.330 37.879 38.460 -0.418 0.000 0.981 207 Y HN -0.061 nan 8.280 nan 0.000 0.507 208 R N -1.025 119.287 120.500 -0.314 0.000 2.120 208 R HA -0.228 4.158 4.340 0.076 0.000 0.234 208 R C 2.138 178.267 176.300 -0.285 0.000 1.123 208 R CA 1.636 57.547 56.100 -0.315 0.000 0.975 208 R CB -0.906 29.351 30.300 -0.072 0.000 0.866 208 R HN 0.540 nan 8.270 nan 0.000 0.446 209 Y N 0.374 120.469 120.300 -0.341 0.000 2.145 209 Y HA -0.281 4.315 4.550 0.076 0.000 0.286 209 Y C 1.753 177.411 175.900 -0.403 0.000 1.145 209 Y CA 1.521 59.404 58.100 -0.362 0.000 1.148 209 Y CB -0.540 37.652 38.460 -0.446 0.000 0.981 209 Y HN -0.023 nan 8.280 nan 0.000 0.507 210 Y N 0.113 120.205 120.300 -0.346 0.000 2.242 210 Y HA -0.209 4.387 4.550 0.075 0.000 0.291 210 Y C 2.719 178.384 175.900 -0.391 0.000 1.137 210 Y CA 1.527 59.413 58.100 -0.357 0.000 1.181 210 Y CB -0.468 37.871 38.460 -0.201 0.000 0.989 210 Y HN 0.262 nan 8.280 nan 0.000 0.527 211 N N 0.767 119.245 118.700 -0.370 0.000 2.270 211 N HA -0.191 4.595 4.740 0.076 0.000 0.181 211 N C 1.770 177.124 175.510 -0.261 0.000 1.016 211 N CA 1.441 54.275 53.050 -0.359 0.000 0.870 211 N CB 0.047 38.162 38.487 -0.621 0.000 0.979 211 N HN 0.634 nan 8.380 nan 0.000 0.431 212 Q N -0.159 119.462 119.800 -0.299 0.000 2.187 212 Q HA 0.023 4.409 4.340 0.076 0.000 0.199 212 Q C 1.853 177.702 176.000 -0.251 0.000 0.957 212 Q CA 0.898 56.560 55.803 -0.235 0.000 0.857 212 Q CB -0.335 28.275 28.738 -0.214 0.000 0.929 212 Q HN 0.017 nan 8.270 nan 0.000 0.453 213 V N 1.029 120.713 119.914 -0.382 0.000 3.217 213 V HA 0.135 4.301 4.120 0.076 0.000 0.264 213 V C 1.109 177.092 176.094 -0.185 0.000 1.135 213 V CA 1.395 63.487 62.300 -0.347 0.000 1.142 213 V CB -0.734 30.733 31.823 -0.595 0.000 0.754 213 V HN 0.738 nan 8.190 nan 0.000 0.484 214 G N 1.218 109.929 108.800 -0.149 0.000 2.249 214 G HA2 -0.292 3.714 3.960 0.076 0.000 0.273 214 G HA3 -0.292 3.714 3.960 0.076 0.000 0.273 214 G C 0.155 175.036 174.900 -0.031 0.000 1.036 214 G CA 0.687 45.742 45.100 -0.076 0.000 0.824 214 G HN 0.608 nan 8.290 nan 0.000 0.504 215 R N -1.295 119.204 120.500 -0.002 0.000 2.698 215 R HA 0.565 4.950 4.340 0.076 0.000 0.275 215 R C -0.300 176.087 176.300 0.146 0.000 1.001 215 R CA -1.166 54.974 56.100 0.066 0.000 0.896 215 R CB 1.411 31.756 30.300 0.076 0.000 1.218 215 R HN 0.072 nan 8.270 nan 0.000 0.462 216 K N 1.820 122.281 120.400 0.101 0.000 2.154 216 K HA 0.312 4.677 4.320 0.076 0.000 0.264 216 K C -2.397 174.233 176.600 0.050 0.000 1.008 216 K CA -1.712 54.607 56.287 0.053 0.000 0.937 216 K CB 0.553 33.068 32.500 0.024 0.000 1.002 216 K HN 0.179 nan 8.250 nan 0.000 0.469 217 P HA 0.049 nan 4.420 nan 0.000 0.271 217 P C -0.287 177.055 177.300 0.070 0.000 1.218 217 P CA -0.078 62.942 63.100 -0.133 0.000 0.780 217 P CB 0.762 32.283 31.700 -0.298 0.000 0.901 218 T N -2.032 112.613 114.554 0.152 0.000 3.086 218 T HA 0.292 4.687 4.350 0.076 0.000 0.250 218 T C 0.552 175.270 174.700 0.030 0.000 1.074 218 T CA 0.089 62.239 62.100 0.083 0.000 0.988 218 T CB -0.389 68.536 68.868 0.094 0.000 0.988 218 T HN 0.246 nan 8.240 nan 0.000 0.530 219 M N 0.614 120.221 119.600 0.012 0.000 2.602 219 M HA 0.547 5.072 4.480 0.076 0.000 0.312 219 M C -0.964 175.265 176.300 -0.117 0.000 1.181 219 M CA -1.078 54.160 55.300 -0.103 0.000 0.910 219 M CB 2.244 34.699 32.600 -0.242 0.000 1.723 219 M HN -0.303 nan 8.290 nan 0.000 0.459 220 K N 1.389 121.719 120.400 -0.117 0.000 2.349 220 K HA 0.250 4.615 4.320 0.076 0.000 0.289 220 K C -1.448 175.117 176.600 -0.059 0.000 1.064 220 K CA 0.107 56.361 56.287 -0.055 0.000 0.947 220 K CB 0.493 32.972 32.500 -0.034 0.000 1.007 220 K HN 0.448 nan 8.250 nan 0.000 0.478 221 W N 1.317 122.606 121.300 -0.019 0.000 2.332 221 W HA 0.281 4.986 4.660 0.075 0.000 0.351 221 W C 0.511 177.152 176.519 0.203 0.000 1.195 221 W CA 0.211 57.619 57.345 0.106 0.000 1.334 221 W CB 1.463 30.968 29.460 0.076 0.000 1.206 221 W HN 0.649 nan 8.180 nan 0.000 0.637 222 S N 0.020 116.172 115.700 0.753 0.000 2.611 222 S HA 0.639 5.154 4.470 0.076 0.000 0.270 222 S C -1.170 173.753 174.600 0.538 0.000 1.131 222 S CA -0.948 57.633 58.200 0.635 0.000 0.826 222 S CB 1.706 65.199 63.200 0.487 0.000 1.095 222 S HN 0.509 nan 8.310 nan 0.000 0.461 223 T N 0.523 115.238 114.554 0.269 0.000 2.916 223 T HA 0.640 5.035 4.350 0.076 0.000 0.305 223 T C -1.567 173.093 174.700 -0.066 0.000 1.119 223 T CA -0.713 61.376 62.100 -0.020 0.000 1.008 223 T CB 0.998 69.613 68.868 -0.422 0.000 1.129 223 T HN 0.681 nan 8.240 nan 0.000 0.480 224 I N 5.043 125.517 120.570 -0.160 0.000 2.361 224 I HA 0.258 4.474 4.170 0.076 0.000 0.282 224 I C 1.029 177.259 176.117 0.188 0.000 1.075 224 I CA -0.524 60.707 61.300 -0.114 0.000 1.205 224 I CB 0.975 38.670 38.000 -0.509 0.000 1.406 224 I HN 0.736 nan 8.210 nan 0.000 0.481 225 D N 6.433 126.953 120.400 0.199 0.000 2.355 225 D HA -0.037 4.649 4.640 0.076 0.000 0.218 225 D C 0.568 177.148 176.300 0.467 0.000 1.004 225 D CA 0.161 54.346 54.000 0.309 0.000 0.880 225 D CB 0.567 41.478 40.800 0.185 0.000 0.911 225 D HN 0.551 nan 8.370 nan 0.000 0.528 226 R N -1.007 119.783 120.500 0.484 0.000 2.753 226 R HA 0.316 4.702 4.340 0.076 0.000 0.272 226 R C -1.746 174.927 176.300 0.622 0.000 1.034 226 R CA -1.025 55.370 56.100 0.492 0.000 0.869 226 R CB 0.184 30.681 30.300 0.329 0.000 1.264 226 R HN 0.151 nan 8.270 nan 0.000 0.481 227 W N 0.713 122.160 121.300 0.245 0.000 0.818 227 W HA 0.234 4.947 4.660 0.089 0.000 0.322 227 W C -2.625 174.036 176.519 0.236 0.000 0.895 227 W CA -1.471 56.014 57.345 0.233 0.000 1.174 227 W CB -0.319 29.290 29.460 0.249 0.000 1.212 227 W HN 0.512 nan 8.180 nan 0.000 0.497 228 P HA -0.158 nan 4.420 nan 0.000 0.219 228 P C 1.196 178.563 177.300 0.111 0.000 1.146 228 P CA 2.473 65.602 63.100 0.048 0.000 0.808 228 P CB 0.010 31.738 31.700 0.047 0.000 0.779 229 T N -5.687 108.978 114.554 0.185 0.000 3.252 229 T HA 0.060 4.455 4.350 0.076 0.000 0.286 229 T C 0.593 175.432 174.700 0.232 0.000 1.013 229 T CA -0.551 61.649 62.100 0.168 0.000 0.914 229 T CB -1.123 67.805 68.868 0.099 0.000 1.131 229 T HN 0.108 nan 8.240 nan 0.000 0.529 230 H N 3.233 122.478 119.070 0.292 0.000 3.125 230 H HA -0.056 4.544 4.556 0.074 0.000 0.310 230 H C 1.787 177.249 175.328 0.224 0.000 0.980 230 H CA 0.923 57.152 56.048 0.301 0.000 1.422 230 H CB 0.660 30.645 29.762 0.372 0.000 1.432 230 H HN 0.554 nan 8.280 nan 0.000 0.577 231 H N 5.117 123.993 119.070 -0.322 0.000 2.426 231 H HA -0.150 4.451 4.556 0.074 0.000 0.298 231 H C 1.504 176.843 175.328 0.018 0.000 1.107 231 H CA 1.466 57.434 56.048 -0.134 0.000 1.298 231 H CB -0.118 29.538 29.762 -0.177 0.000 1.377 231 H HN 0.601 nan 8.280 nan 0.000 0.519 232 L N -0.088 120.846 121.223 -0.480 0.000 2.270 232 L HA -0.046 4.340 4.340 0.076 0.000 0.210 232 L C 2.778 179.682 176.870 0.056 0.000 1.104 232 L CA 0.442 55.163 54.840 -0.198 0.000 0.804 232 L CB -0.197 41.772 42.059 -0.150 0.000 0.937 232 L HN 0.187 nan 8.230 nan 0.000 0.450 233 L N -0.003 121.365 121.223 0.242 0.000 2.027 233 L HA -0.184 4.202 4.340 0.076 0.000 0.206 233 L C 2.365 179.289 176.870 0.090 0.000 1.074 233 L CA 1.747 56.718 54.840 0.219 0.000 0.745 233 L CB -0.326 41.993 42.059 0.433 0.000 0.898 233 L HN 0.041 nan 8.230 nan 0.000 0.433 234 I N -0.134 120.537 120.570 0.169 0.000 2.226 234 I HA -0.299 3.917 4.170 0.076 0.000 0.245 234 I C 2.572 178.756 176.117 0.112 0.000 1.100 234 I CA 1.632 63.040 61.300 0.180 0.000 1.374 234 I CB -1.384 36.689 38.000 0.122 0.000 1.057 234 I HN 0.580 nan 8.210 nan 0.000 0.413 235 Q N 0.105 119.934 119.800 0.048 0.000 2.124 235 Q HA -0.201 4.185 4.340 0.076 0.000 0.202 235 Q C 2.583 178.575 176.000 -0.013 0.000 0.977 235 Q CA 1.940 57.757 55.803 0.023 0.000 0.850 235 Q CB 0.034 28.776 28.738 0.007 0.000 0.901 235 Q HN 0.494 nan 8.270 nan 0.000 0.429 236 C N -0.160 119.087 119.300 -0.089 0.000 2.432 236 C HA -0.108 4.397 4.460 0.076 0.000 0.277 236 C C 2.276 177.082 174.990 -0.306 0.000 1.249 236 C CA 0.624 59.486 59.018 -0.261 0.000 1.725 236 C CB -1.209 26.306 27.740 -0.374 0.000 2.028 236 C HN 0.587 nan 8.230 nan 0.000 0.477 237 F N 1.300 121.169 119.950 -0.135 0.000 2.102 237 F HA -0.164 4.413 4.527 0.084 0.000 0.298 237 F C 2.616 178.409 175.800 -0.012 0.000 1.105 237 F CA 1.208 59.160 58.000 -0.080 0.000 1.239 237 F CB -0.543 38.450 39.000 -0.012 0.000 0.991 237 F HN 0.173 nan 8.300 nan 0.000 0.474 238 A N 0.159 123.097 122.820 0.196 0.000 1.883 238 A HA -0.246 4.120 4.320 0.076 0.000 0.217 238 A C 1.832 179.476 177.584 0.100 0.000 1.186 238 A CA 2.256 54.362 52.037 0.115 0.000 0.624 238 A CB -0.904 18.135 19.000 0.066 0.000 0.822 238 A HN 0.292 nan 8.150 nan 0.000 0.444 239 D N -0.895 119.558 120.400 0.088 0.000 2.104 239 D HA -0.145 4.541 4.640 0.076 0.000 0.194 239 D C 1.746 178.167 176.300 0.202 0.000 0.994 239 D CA 1.547 55.616 54.000 0.114 0.000 0.830 239 D CB -0.636 40.227 40.800 0.105 0.000 0.959 239 D HN 0.745 nan 8.370 nan 0.000 0.452 240 H N -0.316 118.780 119.070 0.044 0.000 2.423 240 H HA 0.016 4.618 4.556 0.077 0.000 0.297 240 H C 2.247 177.607 175.328 0.054 0.000 1.075 240 H CA 0.266 56.340 56.048 0.044 0.000 1.342 240 H CB 0.282 30.071 29.762 0.046 0.000 1.395 240 H HN 0.137 nan 8.280 nan 0.000 0.530 241 I N 0.652 121.334 120.570 0.186 0.000 2.202 241 I HA -0.266 3.950 4.170 0.076 0.000 0.242 241 I C 2.217 178.374 176.117 0.066 0.000 1.091 241 I CA 0.926 62.282 61.300 0.093 0.000 1.368 241 I CB -0.133 37.897 38.000 0.049 0.000 1.058 241 I HN 0.187 nan 8.210 nan 0.000 0.410 242 L N 1.050 122.309 121.223 0.059 0.000 2.017 242 L HA -0.235 4.150 4.340 0.076 0.000 0.208 242 L C 2.668 179.541 176.870 0.005 0.000 1.073 242 L CA 1.714 56.570 54.840 0.027 0.000 0.745 242 L CB -0.682 41.392 42.059 0.024 0.000 0.894 242 L HN 0.328 nan 8.230 nan 0.000 0.432 243 K N -0.195 120.208 120.400 0.005 0.000 2.211 243 K HA -0.216 4.150 4.320 0.076 0.000 0.203 243 K C 1.866 178.391 176.600 -0.125 0.000 1.050 243 K CA 1.497 57.737 56.287 -0.079 0.000 0.945 243 K CB -0.091 32.377 32.500 -0.054 0.000 0.732 243 K HN 0.074 nan 8.250 nan 0.000 0.451 244 E N 1.341 121.569 120.200 0.045 0.000 2.158 244 E HA 0.025 4.421 4.350 0.076 0.000 0.191 244 E C 1.863 178.615 176.600 0.254 0.000 0.982 244 E CA 0.640 57.150 56.400 0.184 0.000 0.823 244 E CB -0.104 29.707 29.700 0.185 0.000 0.766 244 E HN 0.357 nan 8.360 nan 0.000 0.468 245 L N 0.617 121.949 121.223 0.183 0.000 2.141 245 L HA -0.154 4.232 4.340 0.076 0.000 0.209 245 L C 1.436 178.419 176.870 0.188 0.000 1.094 245 L CA 1.047 56.013 54.840 0.210 0.000 0.763 245 L CB -0.259 41.809 42.059 0.016 0.000 0.908 245 L HN 0.098 nan 8.230 nan 0.000 0.437 246 D N -1.189 119.218 120.400 0.012 0.000 2.264 246 D HA -0.150 4.535 4.640 0.076 0.000 0.208 246 D C 1.942 178.204 176.300 -0.064 0.000 0.966 246 D CA 0.994 54.948 54.000 -0.076 0.000 0.864 246 D CB -0.091 40.584 40.800 -0.208 0.000 0.933 246 D HN 0.350 nan 8.370 nan 0.000 0.499 247 H N -1.090 118.038 119.070 0.096 0.000 2.551 247 H HA 0.085 4.686 4.556 0.075 0.000 0.266 247 H C 0.371 175.680 175.328 -0.031 0.000 0.977 247 H CA 0.034 56.082 56.048 0.000 0.000 1.163 247 H CB -0.140 29.573 29.762 -0.081 0.000 1.381 247 H HN 0.124 nan 8.280 nan 0.000 0.581 248 F N 1.206 121.201 119.950 0.074 0.000 2.380 248 F HA 0.259 4.832 4.527 0.076 0.000 0.325 248 F C -1.536 174.280 175.800 0.026 0.000 1.136 248 F CA -2.369 55.656 58.000 0.041 0.000 1.171 248 F CB 0.261 39.271 39.000 0.018 0.000 1.230 248 F HN -0.121 nan 8.300 nan 0.000 0.554 249 P HA 0.038 nan 4.420 nan 0.000 0.268 249 P C 0.368 177.739 177.300 0.118 0.000 1.204 249 P CA -0.046 63.128 63.100 0.124 0.000 0.768 249 P CB 0.509 32.267 31.700 0.097 0.000 0.842 250 L N 2.781 124.049 121.223 0.075 0.000 2.051 250 L HA -0.256 4.129 4.340 0.076 0.000 0.214 250 L C 1.856 178.749 176.870 0.039 0.000 1.076 250 L CA 2.023 56.893 54.840 0.051 0.000 0.758 250 L CB -1.573 40.507 42.059 0.034 0.000 0.890 250 L HN 0.408 nan 8.230 nan 0.000 0.433 251 E N 0.003 120.226 120.200 0.039 0.000 2.333 251 E HA -0.109 4.287 4.350 0.076 0.000 0.198 251 E C 2.103 178.717 176.600 0.023 0.000 1.007 251 E CA 1.440 57.856 56.400 0.027 0.000 0.845 251 E CB -0.452 29.264 29.700 0.026 0.000 0.766 251 E HN 0.599 nan 8.360 nan 0.000 0.507 252 K N 1.008 121.432 120.400 0.040 0.000 2.374 252 K HA 0.238 4.604 4.320 0.076 0.000 0.202 252 K C 1.661 178.230 176.600 -0.052 0.000 1.040 252 K CA 0.206 56.505 56.287 0.019 0.000 1.085 252 K CB -0.241 32.306 32.500 0.078 0.000 0.873 252 K HN 0.008 nan 8.250 nan 0.000 0.539 253 R N 0.659 121.134 120.500 -0.042 0.000 2.096 253 R HA -0.115 4.270 4.340 0.076 0.000 0.240 253 R C 1.723 177.938 176.300 -0.141 0.000 1.139 253 R CA 2.274 58.305 56.100 -0.115 0.000 0.952 253 R CB -0.323 29.952 30.300 -0.042 0.000 0.854 253 R HN 0.422 nan 8.270 nan 0.000 0.436 254 S N 0.259 115.912 115.700 -0.078 0.000 2.481 254 S HA -0.111 4.405 4.470 0.076 0.000 0.231 254 S C 1.440 175.996 174.600 -0.073 0.000 0.996 254 S CA 1.138 59.300 58.200 -0.063 0.000 0.942 254 S CB -0.008 63.172 63.200 -0.032 0.000 0.768 254 S HN 0.386 nan 8.310 nan 0.000 0.520 255 E N 1.455 121.605 120.200 -0.085 0.000 2.442 255 E HA 0.053 4.449 4.350 0.076 0.000 0.195 255 E C 0.104 176.634 176.600 -0.118 0.000 1.030 255 E CA 0.020 56.375 56.400 -0.076 0.000 0.869 255 E CB -0.047 29.625 29.700 -0.047 0.000 0.857 255 E HN 0.125 nan 8.360 nan 0.000 0.505 256 V N 2.187 121.972 119.914 -0.214 0.000 2.599 256 V HA 0.061 4.226 4.120 0.076 0.000 0.300 256 V C 0.394 176.376 176.094 -0.187 0.000 1.034 256 V CA 0.036 62.150 62.300 -0.310 0.000 1.115 256 V CB 0.847 32.270 31.823 -0.666 0.000 0.934 256 V HN 0.220 nan 8.190 nan 0.000 0.485 257 V N 4.373 124.205 119.914 -0.136 0.000 2.398 257 V HA 0.605 4.771 4.120 0.076 0.000 0.286 257 V C -0.269 175.773 176.094 -0.086 0.000 1.026 257 V CA -0.720 61.535 62.300 -0.076 0.000 0.868 257 V CB 1.315 33.109 31.823 -0.048 0.000 0.982 257 V HN 0.619 nan 8.190 nan 0.000 0.443 258 I N 5.679 126.209 120.570 -0.066 0.000 2.325 258 I HA 0.340 4.555 4.170 0.076 0.000 0.291 258 I C -0.196 175.831 176.117 -0.150 0.000 1.019 258 I CA -0.164 61.035 61.300 -0.168 0.000 1.302 258 I CB 1.131 38.977 38.000 -0.256 0.000 1.401 258 I HN 0.470 nan 8.210 nan 0.000 0.485 259 L N 7.247 128.348 121.223 -0.204 0.000 2.264 259 L HA 0.400 4.785 4.340 0.076 0.000 0.287 259 L C -0.647 176.076 176.870 -0.245 0.000 1.039 259 L CA -0.473 54.287 54.840 -0.133 0.000 0.829 259 L CB 0.561 42.569 42.059 -0.085 0.000 1.211 259 L HN 0.437 nan 8.230 nan 0.000 0.427 260 F N 1.882 121.758 119.950 -0.124 0.000 2.445 260 F HA 0.154 4.736 4.527 0.092 0.000 0.359 260 F C 0.899 176.531 175.800 -0.280 0.000 1.101 260 F CA 0.316 58.180 58.000 -0.225 0.000 1.177 260 F CB 1.348 40.177 39.000 -0.285 0.000 1.110 260 F HN 0.319 nan 8.300 nan 0.000 0.522 261 S N 3.408 119.041 115.700 -0.112 0.000 2.530 261 S HA 0.843 5.358 4.470 0.076 0.000 0.322 261 S C -0.524 173.973 174.600 -0.172 0.000 1.085 261 S CA -0.477 57.641 58.200 -0.137 0.000 1.096 261 S CB 0.465 63.654 63.200 -0.019 0.000 0.988 261 S HN 0.750 nan 8.310 nan 0.000 0.466 262 A N 3.318 125.986 122.820 -0.253 0.000 2.384 262 A HA 0.666 5.031 4.320 0.076 0.000 0.312 262 A C -0.191 177.503 177.584 0.183 0.000 1.113 262 A CA -0.615 51.331 52.037 -0.151 0.000 0.779 262 A CB 0.740 19.575 19.000 -0.275 0.000 1.307 262 A HN 0.841 nan 8.150 nan 0.000 0.436 263 C N 1.241 120.702 119.300 0.268 0.000 2.634 263 C HA 0.408 4.914 4.460 0.076 0.000 0.418 263 C C 1.546 176.923 174.990 0.646 0.000 1.373 263 C CA 0.274 59.540 59.018 0.413 0.000 1.756 263 C CB -0.518 27.436 27.740 0.357 0.000 2.589 263 C HN 0.893 nan 8.230 nan 0.000 0.602 264 S N 2.592 118.653 115.700 0.602 0.000 2.624 264 S HA 0.681 5.197 4.470 0.076 0.000 0.263 264 S C -0.606 174.301 174.600 0.510 0.000 1.287 264 S CA -0.314 58.255 58.200 0.615 0.000 0.990 264 S CB 0.317 63.876 63.200 0.599 0.000 0.950 264 S HN 0.592 nan 8.310 nan 0.000 0.561 265 L N 2.209 123.577 121.223 0.243 0.000 2.409 265 L HA 0.492 4.878 4.340 0.076 0.000 0.262 265 L C -2.529 174.048 176.870 -0.489 0.000 0.992 265 L CA -2.474 52.273 54.840 -0.155 0.000 0.817 265 L CB 2.416 44.374 42.059 -0.168 0.000 1.350 265 L HN 0.479 nan 8.230 nan 0.000 0.411 266 P HA 0.136 nan 4.420 nan 0.000 0.271 266 P C 0.512 177.515 177.300 -0.495 0.000 1.218 266 P CA -0.398 62.016 63.100 -1.144 0.000 0.780 266 P CB 0.518 31.559 31.700 -1.099 0.000 0.901 267 M N 1.549 120.956 119.600 -0.322 0.000 2.267 267 M HA -0.123 4.403 4.480 0.076 0.000 0.263 267 M C 1.752 177.951 176.300 -0.169 0.000 1.063 267 M CA 1.806 56.994 55.300 -0.187 0.000 1.090 267 M CB -1.835 30.702 32.600 -0.105 0.000 1.392 267 M HN 0.404 nan 8.290 nan 0.000 0.422 268 S N -0.644 114.941 115.700 -0.192 0.000 2.423 268 S HA -0.049 4.466 4.470 0.076 0.000 0.231 268 S C 1.948 176.464 174.600 -0.140 0.000 1.014 268 S CA 1.047 59.162 58.200 -0.142 0.000 0.965 268 S CB -0.793 62.326 63.200 -0.134 0.000 0.785 268 S HN 0.284 nan 8.310 nan 0.000 0.495 269 V N 1.359 121.159 119.914 -0.189 0.000 2.379 269 V HA -0.041 4.125 4.120 0.076 0.000 0.243 269 V C 2.637 178.660 176.094 -0.117 0.000 1.035 269 V CA 1.194 63.400 62.300 -0.157 0.000 1.035 269 V CB -0.622 31.075 31.823 -0.209 0.000 0.673 269 V HN 0.421 nan 8.190 nan 0.000 0.457 270 V N 1.015 120.846 119.914 -0.138 0.000 2.287 270 V HA -0.271 3.895 4.120 0.076 0.000 0.248 270 V C 2.223 178.273 176.094 -0.073 0.000 1.053 270 V CA 2.230 64.467 62.300 -0.104 0.000 1.027 270 V CB -0.859 30.880 31.823 -0.140 0.000 0.646 270 V HN 0.582 nan 8.190 nan 0.000 0.447 271 N N 0.553 119.206 118.700 -0.078 0.000 2.520 271 N HA -0.135 4.651 4.740 0.076 0.000 0.185 271 N C 1.774 177.259 175.510 -0.040 0.000 1.068 271 N CA 1.046 54.063 53.050 -0.055 0.000 0.911 271 N CB -0.327 38.127 38.487 -0.055 0.000 0.961 271 N HN 0.700 nan 8.380 nan 0.000 0.446 272 R N -0.765 119.710 120.500 -0.042 0.000 2.297 272 R HA 0.229 4.614 4.340 0.076 0.000 0.197 272 R C 0.829 177.122 176.300 -0.012 0.000 0.943 272 R CA 0.865 56.949 56.100 -0.027 0.000 1.038 272 R CB 0.202 30.484 30.300 -0.030 0.000 0.957 272 R HN -0.008 nan 8.270 nan 0.000 0.484 273 G N 0.685 109.480 108.800 -0.010 0.000 2.164 273 G HA2 -0.209 3.797 3.960 0.076 0.000 0.154 273 G HA3 -0.209 3.797 3.960 0.076 0.000 0.154 273 G C -0.706 174.212 174.900 0.031 0.000 1.014 273 G CA -0.149 44.956 45.100 0.008 0.000 0.683 273 G HN 0.405 nan 8.290 nan 0.000 0.500 274 D N 1.437 121.854 120.400 0.029 0.000 2.487 274 D HA 0.142 4.828 4.640 0.076 0.000 0.243 274 D C -0.252 176.114 176.300 0.110 0.000 1.154 274 D CA -0.255 53.789 54.000 0.073 0.000 0.876 274 D CB 1.457 42.279 40.800 0.037 0.000 1.161 274 D HN 0.209 nan 8.370 nan 0.000 0.478 275 P HA -0.144 nan 4.420 nan 0.000 0.233 275 P C 1.310 178.731 177.300 0.202 0.000 1.167 275 P CA 0.389 63.586 63.100 0.161 0.000 0.770 275 P CB 0.072 31.868 31.700 0.160 0.000 0.837 276 Y N 3.206 123.564 120.300 0.097 0.000 2.040 276 Y HA -0.204 4.415 4.550 0.115 0.000 0.275 276 Y C -0.704 175.266 175.900 0.116 0.000 1.171 276 Y CA 2.613 60.768 58.100 0.091 0.000 1.123 276 Y CB -2.099 36.386 38.460 0.043 0.000 0.963 276 Y HN 0.057 nan 8.280 nan 0.000 0.493 277 P HA -0.240 nan 4.420 nan 0.000 0.215 277 P C 1.596 178.912 177.300 0.027 0.000 1.157 277 P CA 2.366 65.445 63.100 -0.035 0.000 0.874 277 P CB -0.248 31.395 31.700 -0.096 0.000 0.790 278 Q N 0.272 120.086 119.800 0.024 0.000 2.124 278 Q HA -0.211 4.174 4.340 0.076 0.000 0.202 278 Q C 1.927 177.929 176.000 0.004 0.000 0.977 278 Q CA 1.770 57.588 55.803 0.025 0.000 0.850 278 Q CB -0.383 28.374 28.738 0.031 0.000 0.901 278 Q HN 0.383 nan 8.270 nan 0.000 0.429 279 E N -0.545 119.655 120.200 0.000 0.000 2.072 279 E HA -0.103 4.293 4.350 0.076 0.000 0.190 279 E C 2.169 178.719 176.600 -0.083 0.000 0.982 279 E CA 1.129 57.523 56.400 -0.009 0.000 0.803 279 E CB 0.117 29.850 29.700 0.054 0.000 0.755 279 E HN 0.144 nan 8.360 nan 0.000 0.453 280 V N 1.287 121.096 119.914 -0.176 0.000 2.332 280 V HA -0.267 3.899 4.120 0.076 0.000 0.248 280 V C 2.305 178.266 176.094 -0.221 0.000 1.055 280 V CA 1.871 64.018 62.300 -0.256 0.000 1.038 280 V CB -0.482 31.112 31.823 -0.382 0.000 0.651 280 V HN 0.197 nan 8.190 nan 0.000 0.450 281 S N 0.108 115.734 115.700 -0.124 0.000 2.383 281 S HA -0.216 4.300 4.470 0.076 0.000 0.229 281 S C 2.211 176.730 174.600 -0.135 0.000 1.030 281 S CA 1.493 59.630 58.200 -0.106 0.000 1.002 281 S CB -0.510 62.689 63.200 -0.002 0.000 0.829 281 S HN 0.675 nan 8.310 nan 0.000 0.467 282 A N 1.267 124.030 122.820 -0.095 0.000 1.902 282 A HA -0.114 4.252 4.320 0.076 0.000 0.217 282 A C 2.343 179.852 177.584 -0.125 0.000 1.181 282 A CA 2.053 54.044 52.037 -0.077 0.000 0.623 282 A CB -1.353 17.631 19.000 -0.028 0.000 0.818 282 A HN 0.489 nan 8.150 nan 0.000 0.443 283 T N -0.207 114.254 114.554 -0.155 0.000 2.708 283 T HA -0.135 4.260 4.350 0.076 0.000 0.266 283 T C 1.881 176.370 174.700 -0.352 0.000 1.037 283 T CA 1.596 63.587 62.100 -0.182 0.000 1.146 283 T CB -0.553 68.207 68.868 -0.179 0.000 0.865 283 T HN 0.146 nan 8.240 nan 0.000 0.435 284 V N 1.441 121.039 119.914 -0.527 0.000 2.287 284 V HA -0.234 3.931 4.120 0.076 0.000 0.248 284 V C 2.703 178.351 176.094 -0.743 0.000 1.053 284 V CA 1.927 63.661 62.300 -0.944 0.000 1.027 284 V CB -0.715 30.542 31.823 -0.943 0.000 0.646 284 V HN 0.361 nan 8.190 nan 0.000 0.447 285 Q N 0.067 119.617 119.800 -0.417 0.000 2.084 285 Q HA -0.182 4.204 4.340 0.076 0.000 0.202 285 Q C 2.252 178.110 176.000 -0.237 0.000 0.978 285 Q CA 1.726 57.374 55.803 -0.258 0.000 0.844 285 Q CB -0.240 28.442 28.738 -0.092 0.000 0.898 285 Q HN 0.464 nan 8.270 nan 0.000 0.426 286 K N -0.659 119.627 120.400 -0.190 0.000 2.057 286 K HA -0.081 4.285 4.320 0.076 0.000 0.207 286 K C 2.055 178.561 176.600 -0.157 0.000 1.049 286 K CA 1.318 57.531 56.287 -0.125 0.000 0.931 286 K CB -0.358 32.111 32.500 -0.052 0.000 0.714 286 K HN 0.146 nan 8.250 nan 0.000 0.440 287 V N 1.674 121.462 119.914 -0.209 0.000 2.295 287 V HA -0.260 3.905 4.120 0.076 0.000 0.246 287 V C 2.443 178.401 176.094 -0.226 0.000 1.049 287 V CA 1.486 63.693 62.300 -0.155 0.000 1.024 287 V CB -0.358 31.374 31.823 -0.152 0.000 0.648 287 V HN 0.281 nan 8.190 nan 0.000 0.447 288 M N -0.581 118.774 119.600 -0.407 0.000 2.213 288 M HA -0.148 4.378 4.480 0.076 0.000 0.263 288 M C 2.107 177.949 176.300 -0.764 0.000 1.062 288 M CA 1.450 56.430 55.300 -0.534 0.000 1.105 288 M CB -1.229 30.948 32.600 -0.706 0.000 1.385 288 M HN 0.459 nan 8.290 nan 0.000 0.417 289 E N -0.559 119.278 120.200 -0.605 0.000 2.106 289 E HA -0.180 4.215 4.350 0.076 0.000 0.192 289 E C 2.166 178.605 176.600 -0.269 0.000 0.984 289 E CA 0.760 56.863 56.400 -0.494 0.000 0.806 289 E CB -0.109 29.488 29.700 -0.171 0.000 0.750 289 E HN 0.417 nan 8.360 nan 0.000 0.458 290 R N 0.700 121.090 120.500 -0.184 0.000 2.148 290 R HA -0.038 4.348 4.340 0.076 0.000 0.227 290 R C 1.812 178.059 176.300 -0.088 0.000 1.103 290 R CA 0.643 56.690 56.100 -0.090 0.000 0.983 290 R CB 0.072 30.348 30.300 -0.040 0.000 0.874 290 R HN 0.130 nan 8.270 nan 0.000 0.451 291 L N 0.914 122.055 121.223 -0.138 0.000 2.612 291 L HA 0.120 4.506 4.340 0.076 0.000 0.230 291 L C -0.096 176.717 176.870 -0.095 0.000 1.140 291 L CA 0.282 55.067 54.840 -0.092 0.000 0.896 291 L CB -0.080 41.933 42.059 -0.077 0.000 1.065 291 L HN 0.247 nan 8.230 nan 0.000 0.447 292 E N -0.793 119.319 120.200 -0.147 0.000 2.440 292 E HA -0.296 4.100 4.350 0.076 0.000 0.246 292 E C -0.663 175.994 176.600 0.095 0.000 1.165 292 E CA 0.361 56.743 56.400 -0.030 0.000 0.726 292 E CB -1.694 28.032 29.700 0.043 0.000 1.271 292 E HN 0.473 nan 8.360 nan 0.000 0.397 293 Y N -3.522 116.805 120.300 0.045 0.000 3.225 293 Y HA -0.384 4.207 4.550 0.068 0.000 0.211 293 Y C 2.111 178.048 175.900 0.063 0.000 1.223 293 Y CA 0.598 58.745 58.100 0.079 0.000 1.284 293 Y CB -2.835 35.677 38.460 0.086 0.000 1.367 293 Y HN 0.668 nan 8.280 nan 0.000 0.566 294 C N -2.553 116.812 119.300 0.108 0.000 2.422 294 C HA -0.001 4.505 4.460 0.076 0.000 0.279 294 C C 1.066 176.096 174.990 0.067 0.000 1.305 294 C CA 0.869 59.929 59.018 0.071 0.000 1.757 294 C CB -0.838 26.916 27.740 0.024 0.000 1.962 294 C HN 0.641 nan 8.230 nan 0.000 0.499 295 N N 0.345 119.099 118.700 0.090 0.000 2.262 295 N HA 0.618 5.404 4.740 0.076 0.000 0.295 295 N C -2.940 172.668 175.510 0.163 0.000 1.161 295 N CA -1.094 51.999 53.050 0.072 0.000 0.767 295 N CB 1.561 40.046 38.487 -0.003 0.000 1.499 295 N HN 0.173 nan 8.380 nan 0.000 0.476 296 P HA 0.163 nan 4.420 nan 0.000 0.274 296 P C -1.507 175.882 177.300 0.148 0.000 1.231 296 P CA 0.094 63.245 63.100 0.085 0.000 0.790 296 P CB 0.504 32.199 31.700 -0.007 0.000 0.951 297 Y N -1.317 119.026 120.300 0.071 0.000 2.689 297 Y HA 0.846 5.430 4.550 0.058 0.000 0.333 297 Y C -1.064 174.887 175.900 0.085 0.000 1.190 297 Y CA -1.470 56.687 58.100 0.096 0.000 1.063 297 Y CB 1.243 39.856 38.460 0.255 0.000 1.294 297 Y HN 0.339 nan 8.280 nan 0.000 0.466 298 R N 1.237 121.888 120.500 0.252 0.000 2.594 298 R HA 0.583 4.968 4.340 0.076 0.000 0.265 298 R C -2.526 173.906 176.300 0.220 0.000 1.070 298 R CA -0.740 55.432 56.100 0.119 0.000 0.909 298 R CB 1.883 32.188 30.300 0.007 0.000 1.243 298 R HN 0.927 nan 8.270 nan 0.000 0.455 299 L N 5.279 126.572 121.223 0.115 0.000 2.257 299 L HA 0.671 5.057 4.340 0.076 0.000 0.290 299 L C -0.875 175.824 176.870 -0.284 0.000 1.044 299 L CA -0.404 54.381 54.840 -0.093 0.000 0.810 299 L CB 1.201 43.151 42.059 -0.182 0.000 1.193 299 L HN 0.500 nan 8.230 nan 0.000 0.425 300 V N 1.762 121.432 119.914 -0.406 0.000 3.046 300 V HA 0.752 4.918 4.120 0.076 0.000 0.316 300 V C -1.245 174.456 176.094 -0.654 0.000 1.104 300 V CA -0.870 61.200 62.300 -0.383 0.000 1.006 300 V CB 1.629 33.389 31.823 -0.106 0.000 1.058 300 V HN 0.780 nan 8.190 nan 0.000 0.440 301 W N 1.093 122.436 121.300 0.072 0.000 2.702 301 W HA 0.779 5.420 4.660 -0.032 0.000 0.331 301 W C -0.101 176.483 176.519 0.108 0.000 1.049 301 W CA -0.414 56.996 57.345 0.108 0.000 1.230 301 W CB 1.451 30.999 29.460 0.146 0.000 1.408 301 W HN 0.907 nan 8.180 nan 0.000 0.492 302 Q N 0.001 119.992 119.800 0.319 0.000 2.418 302 Q HA 0.732 5.118 4.340 0.076 0.000 0.276 302 Q C 0.187 176.319 176.000 0.220 0.000 1.081 302 Q CA -0.783 55.180 55.803 0.267 0.000 0.864 302 Q CB 1.698 30.621 28.738 0.309 0.000 1.384 302 Q HN 0.480 nan 8.270 nan 0.000 0.467 303 S N -1.248 114.536 115.700 0.139 0.000 3.361 303 S HA -0.171 4.345 4.470 0.076 0.000 0.288 303 S C -0.063 174.371 174.600 -0.278 0.000 1.269 303 S CA 1.296 59.504 58.200 0.012 0.000 0.976 303 S CB -1.529 61.734 63.200 0.105 0.000 1.162 303 S HN 0.712 nan 8.310 nan 0.000 0.643 304 K N 1.274 121.419 120.400 -0.424 0.000 2.436 304 K HA 0.425 4.790 4.320 0.076 0.000 0.275 304 K C -0.259 175.789 176.600 -0.920 0.000 0.999 304 K CA 0.198 55.788 56.287 -1.162 0.000 0.980 304 K CB 0.801 32.839 32.500 -0.771 0.000 0.919 304 K HN 0.161 nan 8.250 nan 0.000 0.484 305 V N 3.389 122.601 119.914 -1.170 0.000 2.888 305 V HA 0.703 4.868 4.120 0.076 0.000 0.309 305 V C -0.443 175.583 176.094 -0.114 0.000 1.114 305 V CA 0.803 62.867 62.300 -0.394 0.000 0.940 305 V CB 1.237 32.970 31.823 -0.150 0.000 1.021 305 V HN 1.235 nan 8.190 nan 0.000 0.426 306 G N 6.473 115.266 108.800 -0.011 0.000 2.655 306 G HA2 -0.043 3.963 3.960 0.076 0.000 0.680 306 G HA3 -0.043 3.963 3.960 0.076 0.000 0.680 306 G C -2.061 172.896 174.900 0.096 0.000 1.302 306 G CA -0.018 45.144 45.100 0.104 0.000 0.872 306 G HN 0.886 nan 8.290 nan 0.000 0.540 307 P HA 0.216 nan 4.420 nan 0.000 0.252 307 P C 0.813 178.198 177.300 0.142 0.000 1.218 307 P CA 0.311 63.472 63.100 0.101 0.000 0.807 307 P CB 0.187 31.931 31.700 0.074 0.000 1.072 308 M N 0.964 120.692 119.600 0.213 0.000 2.198 308 M HA 0.282 4.807 4.480 0.076 0.000 0.315 308 M C -2.270 174.214 176.300 0.307 0.000 1.134 308 M CA -2.457 52.965 55.300 0.204 0.000 1.171 308 M CB -1.047 31.643 32.600 0.150 0.000 1.413 308 M HN -0.230 nan 8.290 nan 0.000 0.467 309 P HA 0.149 nan 4.420 nan 0.000 0.276 309 P C -1.309 176.112 177.300 0.201 0.000 1.235 309 P CA 0.081 63.291 63.100 0.183 0.000 0.772 309 P CB 0.357 32.098 31.700 0.067 0.000 0.871 310 W N 2.566 123.855 121.300 -0.018 0.000 2.820 310 W HA 0.470 5.172 4.660 0.069 0.000 0.350 310 W C -0.438 176.036 176.519 -0.074 0.000 1.116 310 W CA -0.798 56.525 57.345 -0.036 0.000 1.146 310 W CB 0.586 30.045 29.460 -0.001 0.000 1.433 310 W HN 0.153 nan 8.180 nan 0.000 0.561 311 L N 2.586 123.854 121.223 0.074 0.000 2.462 311 L HA 0.581 4.967 4.340 0.076 0.000 0.272 311 L C 0.249 177.064 176.870 -0.092 0.000 1.166 311 L CA 0.734 55.473 54.840 -0.167 0.000 0.880 311 L CB -0.451 41.285 42.059 -0.538 0.000 1.142 311 L HN 0.456 nan 8.230 nan 0.000 0.473 312 G N 4.892 113.694 108.800 0.003 0.000 3.016 312 G HA2 0.657 4.663 3.960 0.076 0.000 0.270 312 G HA3 0.657 4.663 3.960 0.076 0.000 0.270 312 G C -2.835 172.266 174.900 0.335 0.000 1.352 312 G CA -1.046 44.174 45.100 0.200 0.000 1.060 312 G HN 0.612 nan 8.290 nan 0.000 0.538 313 P HA 0.146 nan 4.420 nan 0.000 0.272 313 P C -0.753 176.695 177.300 0.246 0.000 1.223 313 P CA -0.023 63.205 63.100 0.213 0.000 0.784 313 P CB 0.973 32.750 31.700 0.129 0.000 0.923 314 Q N 0.255 120.138 119.800 0.138 0.000 2.340 314 Q HA 0.125 4.510 4.340 0.076 0.000 0.249 314 Q C 1.368 177.370 176.000 0.003 0.000 0.957 314 Q CA -0.101 55.761 55.803 0.098 0.000 0.882 314 Q CB 0.339 29.097 28.738 0.034 0.000 1.235 314 Q HN 0.418 nan 8.270 nan 0.000 0.439 315 T N 1.442 115.978 114.554 -0.031 0.000 2.708 315 T HA -0.188 4.208 4.350 0.076 0.000 0.266 315 T C 1.217 175.686 174.700 -0.386 0.000 1.037 315 T CA 1.771 63.779 62.100 -0.154 0.000 1.146 315 T CB -0.248 68.574 68.868 -0.076 0.000 0.865 315 T HN 0.782 nan 8.240 nan 0.000 0.435 316 D N 1.847 121.881 120.400 -0.610 0.000 2.097 316 D HA -0.153 4.532 4.640 0.076 0.000 0.195 316 D C 1.834 177.953 176.300 -0.302 0.000 0.989 316 D CA 1.252 54.829 54.000 -0.706 0.000 0.827 316 D CB -0.661 39.781 40.800 -0.597 0.000 0.966 316 D HN 0.443 nan 8.370 nan 0.000 0.456 317 E N 0.226 120.320 120.200 -0.176 0.000 2.150 317 E HA -0.068 4.328 4.350 0.076 0.000 0.193 317 E C 2.150 178.701 176.600 -0.082 0.000 0.985 317 E CA 0.983 57.326 56.400 -0.095 0.000 0.814 317 E CB -0.010 29.662 29.700 -0.047 0.000 0.752 317 E HN 0.230 nan 8.360 nan 0.000 0.466 318 S N 0.945 116.590 115.700 -0.091 0.000 2.368 318 S HA -0.087 4.429 4.470 0.076 0.000 0.224 318 S C 2.046 176.600 174.600 -0.077 0.000 1.029 318 S CA 0.651 58.811 58.200 -0.066 0.000 0.988 318 S CB -0.103 63.064 63.200 -0.055 0.000 0.838 318 S HN 0.197 nan 8.310 nan 0.000 0.462 319 I N 1.557 122.056 120.570 -0.118 0.000 2.179 319 I HA -0.229 3.987 4.170 0.076 0.000 0.242 319 I C 2.542 178.617 176.117 -0.070 0.000 1.088 319 I CA 1.306 62.547 61.300 -0.098 0.000 1.357 319 I CB -0.268 37.647 38.000 -0.141 0.000 1.051 319 I HN 0.248 nan 8.210 nan 0.000 0.409 320 K N 1.113 121.466 120.400 -0.080 0.000 2.097 320 K HA -0.127 4.238 4.320 0.076 0.000 0.205 320 K C 2.114 178.692 176.600 -0.038 0.000 1.050 320 K CA 1.502 57.757 56.287 -0.052 0.000 0.938 320 K CB -0.306 32.162 32.500 -0.054 0.000 0.718 320 K HN 0.355 nan 8.250 nan 0.000 0.442 321 G N 1.350 110.127 108.800 -0.040 0.000 2.402 321 G HA2 -0.204 3.801 3.960 0.076 0.000 0.216 321 G HA3 -0.204 3.801 3.960 0.076 0.000 0.216 321 G C 1.486 176.371 174.900 -0.025 0.000 1.162 321 G CA 0.624 45.707 45.100 -0.028 0.000 0.777 321 G HN 0.202 nan 8.290 nan 0.000 0.539 322 L N 0.074 121.280 121.223 -0.029 0.000 2.017 322 L HA -0.140 4.245 4.340 0.076 0.000 0.208 322 L C 3.083 179.942 176.870 -0.019 0.000 1.073 322 L CA 0.947 55.772 54.840 -0.025 0.000 0.745 322 L CB -0.540 41.502 42.059 -0.027 0.000 0.894 322 L HN 0.259 nan 8.230 nan 0.000 0.432 323 C N -0.160 119.129 119.300 -0.018 0.000 2.432 323 C HA -0.155 4.350 4.460 0.076 0.000 0.277 323 C C 2.609 177.592 174.990 -0.011 0.000 1.249 323 C CA 0.657 59.668 59.018 -0.011 0.000 1.725 323 C CB -0.800 26.933 27.740 -0.011 0.000 2.028 323 C HN 0.504 nan 8.230 nan 0.000 0.477 324 E N 0.014 120.206 120.200 -0.013 0.000 2.209 324 E HA -0.166 4.230 4.350 0.076 0.000 0.196 324 E C 1.717 178.311 176.600 -0.010 0.000 0.993 324 E CA 0.836 57.230 56.400 -0.011 0.000 0.819 324 E CB -0.083 29.610 29.700 -0.012 0.000 0.745 324 E HN 0.616 nan 8.360 nan 0.000 0.477 325 R N -0.729 119.764 120.500 -0.012 0.000 2.515 325 R HA 0.140 4.526 4.340 0.076 0.000 0.294 325 R C 0.803 177.096 176.300 -0.011 0.000 1.021 325 R CA 0.408 56.501 56.100 -0.012 0.000 1.081 325 R CB 0.782 31.073 30.300 -0.015 0.000 1.263 325 R HN 0.188 nan 8.270 nan 0.000 0.557 326 G N 1.440 110.235 108.800 -0.009 0.000 2.162 326 G HA2 -0.273 3.733 3.960 0.076 0.000 0.260 326 G HA3 -0.273 3.733 3.960 0.076 0.000 0.260 326 G C -0.056 174.840 174.900 -0.008 0.000 0.976 326 G CA -0.230 44.866 45.100 -0.007 0.000 0.655 326 G HN 0.138 nan 8.290 nan 0.000 0.533 327 R N 0.466 120.960 120.500 -0.010 0.000 2.522 327 R HA 0.409 4.794 4.340 0.076 0.000 0.290 327 R C 0.767 177.065 176.300 -0.003 0.000 1.216 327 R CA -0.430 55.663 56.100 -0.012 0.000 1.250 327 R CB 0.505 30.793 30.300 -0.020 0.000 1.143 327 R HN 0.416 nan 8.270 nan 0.000 0.553 328 K N 0.869 121.273 120.400 0.008 0.000 2.397 328 K HA 0.159 4.524 4.320 0.076 0.000 0.202 328 K C -0.408 176.224 176.600 0.054 0.000 1.022 328 K CA 0.029 56.329 56.287 0.023 0.000 1.141 328 K CB 0.376 32.889 32.500 0.021 0.000 0.857 328 K HN 0.266 nan 8.250 nan 0.000 0.514 329 N N 1.409 120.140 118.700 0.051 0.000 2.569 329 N HA 0.331 5.117 4.740 0.076 0.000 0.254 329 N C -1.293 174.253 175.510 0.060 0.000 1.004 329 N CA -0.285 52.833 53.050 0.113 0.000 0.904 329 N CB 1.216 39.739 38.487 0.060 0.000 1.165 329 N HN -0.019 nan 8.380 nan 0.000 0.513 330 I N 1.526 122.189 120.570 0.155 0.000 2.530 330 I HA 0.417 4.633 4.170 0.076 0.000 0.297 330 I C -1.073 175.176 176.117 0.219 0.000 1.011 330 I CA -1.122 60.234 61.300 0.094 0.000 1.107 330 I CB 1.873 39.903 38.000 0.050 0.000 1.285 330 I HN 0.205 nan 8.210 nan 0.000 0.436 331 L N 7.227 128.502 121.223 0.088 0.000 2.319 331 L HA 0.537 4.922 4.340 0.076 0.000 0.281 331 L C -1.069 175.779 176.870 -0.036 0.000 1.005 331 L CA -0.186 54.728 54.840 0.124 0.000 0.828 331 L CB 1.117 43.200 42.059 0.040 0.000 1.227 331 L HN 0.442 nan 8.230 nan 0.000 0.415 332 L N 5.667 126.884 121.223 -0.010 0.000 2.326 332 L HA 0.601 4.987 4.340 0.076 0.000 0.278 332 L C -0.661 176.144 176.870 -0.109 0.000 1.092 332 L CA -0.766 54.037 54.840 -0.062 0.000 0.810 332 L CB 1.602 43.667 42.059 0.010 0.000 1.153 332 L HN 0.341 nan 8.230 nan 0.000 0.439 333 V N 3.946 123.738 119.914 -0.203 0.000 2.447 333 V HA 0.264 4.429 4.120 0.076 0.000 0.292 333 V C -2.176 173.842 176.094 -0.128 0.000 1.021 333 V CA -1.261 60.911 62.300 -0.214 0.000 0.850 333 V CB 1.854 33.364 31.823 -0.523 0.000 1.005 333 V HN 0.611 nan 8.190 nan 0.000 0.426 334 P HA 0.159 nan 4.420 nan 0.000 0.252 334 P C 0.659 177.908 177.300 -0.085 0.000 1.727 334 P CA 0.027 63.140 63.100 0.022 0.000 1.134 334 P CB 0.776 32.603 31.700 0.212 0.000 1.876 335 I N 2.449 122.865 120.570 -0.256 0.000 3.176 335 I HA -0.060 4.156 4.170 0.076 0.000 0.275 335 I C 1.616 177.547 176.117 -0.310 0.000 1.298 335 I CA 0.746 61.745 61.300 -0.501 0.000 1.445 335 I CB -0.306 37.467 38.000 -0.378 0.000 1.075 335 I HN 0.230 nan 8.210 nan 0.000 0.482 336 A N -1.134 121.514 122.820 -0.287 0.000 2.470 336 A HA 0.400 4.765 4.320 0.076 0.000 0.251 336 A C 0.255 177.770 177.584 -0.116 0.000 1.245 336 A CA -0.304 51.610 52.037 -0.204 0.000 0.932 336 A CB -0.315 18.573 19.000 -0.187 0.000 1.037 336 A HN 0.227 nan 8.150 nan 0.000 0.522 337 F N -1.227 118.833 119.950 0.184 0.000 2.579 337 F HA 0.391 4.971 4.527 0.089 0.000 0.324 337 F C 1.500 177.283 175.800 -0.029 0.000 1.058 337 F CA -0.361 57.680 58.000 0.069 0.000 0.944 337 F CB 2.293 41.251 39.000 -0.069 0.000 1.245 337 F HN 0.053 nan 8.300 nan 0.000 0.477 338 T N -3.211 111.367 114.554 0.039 0.000 3.010 338 T HA 0.244 4.640 4.350 0.076 0.000 0.257 338 T C 0.149 174.579 174.700 -0.449 0.000 1.020 338 T CA 0.250 62.156 62.100 -0.322 0.000 0.938 338 T CB 0.049 68.767 68.868 -0.249 0.000 1.049 338 T HN 0.574 nan 8.240 nan 0.000 0.522 339 S N -0.151 115.367 115.700 -0.302 0.000 2.643 339 S HA 0.502 5.018 4.470 0.076 0.000 0.270 339 S C -2.060 172.298 174.600 -0.403 0.000 1.166 339 S CA -0.974 56.995 58.200 -0.386 0.000 0.815 339 S CB 1.299 64.357 63.200 -0.238 0.000 1.139 339 S HN 0.040 nan 8.310 nan 0.000 0.472 340 D N 1.582 121.794 120.400 -0.313 0.000 2.372 340 D HA 0.488 5.174 4.640 0.076 0.000 0.243 340 D C 0.237 176.446 176.300 -0.152 0.000 1.121 340 D CA 0.473 54.349 54.000 -0.206 0.000 0.898 340 D CB 0.434 41.236 40.800 0.003 0.000 1.202 340 D HN 0.771 nan 8.370 nan 0.000 0.428 341 H N -1.679 117.324 119.070 -0.112 0.000 2.917 341 H HA 0.193 4.793 4.556 0.073 0.000 0.269 341 H C 0.710 175.958 175.328 -0.134 0.000 1.488 341 H CA -0.863 55.101 56.048 -0.140 0.000 1.173 341 H CB 0.404 29.994 29.762 -0.286 0.000 1.868 341 H HN 0.195 nan 8.280 nan 0.000 0.600 342 I N 0.982 121.530 120.570 -0.037 0.000 2.335 342 I HA -0.219 3.997 4.170 0.076 0.000 0.251 342 I C 1.786 177.840 176.117 -0.106 0.000 1.129 342 I CA 1.580 62.751 61.300 -0.214 0.000 1.402 342 I CB -0.588 37.106 38.000 -0.511 0.000 1.069 342 I HN 0.566 nan 8.210 nan 0.000 0.424 343 E N -0.278 119.782 120.200 -0.234 0.000 2.153 343 E HA -0.175 4.220 4.350 0.076 0.000 0.194 343 E C 2.282 178.983 176.600 0.169 0.000 0.988 343 E CA 1.828 58.192 56.400 -0.060 0.000 0.811 343 E CB -0.531 29.091 29.700 -0.131 0.000 0.746 343 E HN 0.723 nan 8.360 nan 0.000 0.466 344 T N -2.111 112.623 114.554 0.299 0.000 2.953 344 T HA 0.095 4.491 4.350 0.076 0.000 0.247 344 T C 1.959 176.706 174.700 0.078 0.000 1.029 344 T CA 0.160 62.378 62.100 0.196 0.000 1.144 344 T CB -0.419 68.555 68.868 0.176 0.000 0.870 344 T HN 0.043 nan 8.240 nan 0.000 0.446 345 L N -0.999 120.270 121.223 0.077 0.000 2.141 345 L HA 0.109 4.495 4.340 0.076 0.000 0.209 345 L C 2.498 179.384 176.870 0.026 0.000 1.094 345 L CA 1.427 56.292 54.840 0.041 0.000 0.763 345 L CB -0.436 41.654 42.059 0.051 0.000 0.908 345 L HN 0.285 nan 8.230 nan 0.000 0.437 346 Y N 0.044 120.269 120.300 -0.124 0.000 2.333 346 Y HA -0.016 4.579 4.550 0.075 0.000 0.287 346 Y C 2.577 178.347 175.900 -0.216 0.000 1.149 346 Y CA 0.849 58.846 58.100 -0.171 0.000 1.193 346 Y CB 0.002 38.323 38.460 -0.232 0.000 1.175 346 Y HN -0.037 nan 8.280 nan 0.000 0.518 347 E N 0.339 120.394 120.200 -0.241 0.000 2.023 347 E HA -0.220 4.176 4.350 0.076 0.000 0.196 347 E C 2.119 178.280 176.600 -0.731 0.000 1.003 347 E CA 2.072 58.144 56.400 -0.546 0.000 0.809 347 E CB -0.327 29.182 29.700 -0.318 0.000 0.755 347 E HN 0.502 nan 8.360 nan 0.000 0.449 348 L N 0.598 121.634 121.223 -0.311 0.000 2.044 348 L HA -0.156 4.230 4.340 0.076 0.000 0.205 348 L C 2.143 178.963 176.870 -0.084 0.000 1.075 348 L CA 0.872 55.651 54.840 -0.102 0.000 0.747 348 L CB -0.289 41.809 42.059 0.064 0.000 0.903 348 L HN 0.109 nan 8.230 nan 0.000 0.435 349 D N -0.095 120.242 120.400 -0.106 0.000 2.137 349 D HA -0.041 4.644 4.640 0.076 0.000 0.202 349 D C 2.217 178.436 176.300 -0.134 0.000 0.970 349 D CA 1.225 55.172 54.000 -0.087 0.000 0.837 349 D CB 0.310 41.076 40.800 -0.058 0.000 0.981 349 D HN 0.296 nan 8.370 nan 0.000 0.475 350 I N 0.205 120.628 120.570 -0.246 0.000 2.726 350 I HA -0.041 4.175 4.170 0.076 0.000 0.243 350 I C 2.391 178.307 176.117 -0.335 0.000 1.082 350 I CA 0.126 61.255 61.300 -0.285 0.000 1.447 350 I CB -0.103 37.686 38.000 -0.352 0.000 1.250 350 I HN -0.144 nan 8.210 nan 0.000 0.453 351 E N 0.681 120.531 120.200 -0.583 0.000 2.049 351 E HA -0.253 4.143 4.350 0.076 0.000 0.198 351 E C 2.177 178.706 176.600 -0.117 0.000 1.007 351 E CA 2.053 58.176 56.400 -0.462 0.000 0.809 351 E CB 0.036 29.304 29.700 -0.719 0.000 0.749 351 E HN 0.386 nan 8.360 nan 0.000 0.450 352 Y N -0.370 119.841 120.300 -0.148 0.000 2.262 352 Y HA 0.117 4.711 4.550 0.075 0.000 0.295 352 Y C 2.653 178.510 175.900 -0.073 0.000 1.121 352 Y CA 0.588 58.635 58.100 -0.087 0.000 1.144 352 Y CB -0.649 37.774 38.460 -0.061 0.000 1.043 352 Y HN -0.020 nan 8.280 nan 0.000 0.528 353 S N -0.168 115.579 115.700 0.078 0.000 2.387 353 S HA -0.135 4.381 4.470 0.076 0.000 0.226 353 S C 1.816 176.409 174.600 -0.011 0.000 1.026 353 S CA 1.226 59.440 58.200 0.022 0.000 0.972 353 S CB -0.134 63.062 63.200 -0.006 0.000 0.814 353 S HN 0.504 nan 8.310 nan 0.000 0.477 354 Q N -0.048 119.730 119.800 -0.037 0.000 2.159 354 Q HA 0.095 4.480 4.340 0.076 0.000 0.194 354 Q C 2.247 178.230 176.000 -0.029 0.000 0.968 354 Q CA 0.793 56.571 55.803 -0.041 0.000 0.837 354 Q CB -0.182 28.520 28.738 -0.061 0.000 0.920 354 Q HN 0.309 nan 8.270 nan 0.000 0.485 355 V N 1.293 121.186 119.914 -0.035 0.000 2.239 355 V HA -0.215 3.950 4.120 0.076 0.000 0.236 355 V C 2.194 178.291 176.094 0.005 0.000 1.040 355 V CA 1.357 63.645 62.300 -0.019 0.000 0.996 355 V CB -0.785 31.020 31.823 -0.030 0.000 0.640 355 V HN 0.263 nan 8.190 nan 0.000 0.456 356 L N 1.064 122.306 121.223 0.032 0.000 2.021 356 L HA -0.233 4.153 4.340 0.076 0.000 0.215 356 L C 2.430 179.308 176.870 0.014 0.000 1.074 356 L CA 2.663 57.524 54.840 0.035 0.000 0.760 356 L CB -1.090 41.014 42.059 0.074 0.000 0.889 356 L HN 0.303 nan 8.230 nan 0.000 0.433 357 A N -0.702 122.129 122.820 0.018 0.000 1.908 357 A HA -0.242 4.123 4.320 0.076 0.000 0.218 357 A C 2.576 180.160 177.584 0.000 0.000 1.181 357 A CA 3.034 55.075 52.037 0.007 0.000 0.627 357 A CB -1.083 17.922 19.000 0.010 0.000 0.818 357 A HN 0.513 nan 8.150 nan 0.000 0.445 358 K N -1.186 119.212 120.400 -0.002 0.000 2.057 358 K HA -0.038 4.328 4.320 0.076 0.000 0.207 358 K C 2.099 178.697 176.600 -0.003 0.000 1.049 358 K CA 2.256 58.540 56.287 -0.005 0.000 0.931 358 K CB -1.670 30.825 32.500 -0.008 0.000 0.714 358 K HN 0.837 nan 8.250 nan 0.000 0.440 359 E N -0.380 119.818 120.200 -0.002 0.000 2.338 359 E HA -0.045 4.351 4.350 0.076 0.000 0.197 359 E C 1.965 178.562 176.600 -0.003 0.000 1.007 359 E CA 1.304 57.703 56.400 -0.002 0.000 0.849 359 E CB -1.134 28.566 29.700 -0.000 0.000 0.774 359 E HN 0.716 nan 8.360 nan 0.000 0.506 360 C N -0.981 118.317 119.300 -0.004 0.000 2.780 360 C HA 0.568 5.074 4.460 0.076 0.000 0.267 360 C C 1.966 176.954 174.990 -0.004 0.000 1.266 360 C CA 0.099 59.113 59.018 -0.007 0.000 1.709 360 C CB -0.291 27.442 27.740 -0.011 0.000 1.975 360 C HN 0.971 nan 8.230 nan 0.000 0.582 361 G N 1.763 110.562 108.800 -0.002 0.000 2.212 361 G HA2 -0.160 3.846 3.960 0.076 0.000 0.255 361 G HA3 -0.160 3.846 3.960 0.076 0.000 0.255 361 G C 0.056 174.958 174.900 0.004 0.000 1.062 361 G CA 0.363 45.463 45.100 0.000 0.000 0.815 361 G HN 1.028 nan 8.290 nan 0.000 0.497 362 V N -2.864 117.053 119.914 0.005 0.000 2.843 362 V HA 0.542 4.708 4.120 0.076 0.000 0.305 362 V C 1.239 177.344 176.094 0.018 0.000 1.065 362 V CA 0.818 63.127 62.300 0.014 0.000 1.116 362 V CB 1.278 33.111 31.823 0.017 0.000 0.968 362 V HN 0.412 nan 8.190 nan 0.000 0.487 363 E N 2.645 122.864 120.200 0.032 0.000 2.075 363 E HA 0.137 4.532 4.350 0.076 0.000 0.190 363 E C -0.094 176.530 176.600 0.040 0.000 0.969 363 E CA 1.012 57.433 56.400 0.035 0.000 0.815 363 E CB 0.196 29.924 29.700 0.047 0.000 0.776 363 E HN 0.908 nan 8.360 nan 0.000 0.457 364 N N 0.084 118.831 118.700 0.078 0.000 2.478 364 N HA 0.381 5.167 4.740 0.076 0.000 0.291 364 N C -1.650 173.933 175.510 0.121 0.000 1.090 364 N CA -0.246 52.842 53.050 0.064 0.000 0.911 364 N CB 2.694 41.257 38.487 0.126 0.000 1.546 364 N HN -0.039 nan 8.380 nan 0.000 0.500 365 I N 1.740 122.312 120.570 0.002 0.000 2.512 365 I HA 0.519 4.734 4.170 0.076 0.000 0.287 365 I C -1.223 174.855 176.117 -0.066 0.000 1.069 365 I CA -0.378 60.947 61.300 0.041 0.000 1.056 365 I CB 0.757 38.778 38.000 0.036 0.000 1.229 365 I HN 0.456 nan 8.210 nan 0.000 0.429 366 R N 5.619 126.099 120.500 -0.034 0.000 2.912 366 R HA 0.640 5.025 4.340 0.076 0.000 0.262 366 R C -1.124 175.187 176.300 0.019 0.000 1.057 366 R CA -1.105 54.934 56.100 -0.101 0.000 0.981 366 R CB 2.416 32.535 30.300 -0.301 0.000 1.201 366 R HN 0.518 nan 8.270 nan 0.000 0.484 367 R N 0.563 121.062 120.500 -0.002 0.000 2.561 367 R HA 0.507 4.892 4.340 0.076 0.000 0.297 367 R C -1.080 175.237 176.300 0.027 0.000 0.969 367 R CA -0.457 55.655 56.100 0.020 0.000 0.879 367 R CB 1.911 32.220 30.300 0.016 0.000 1.178 367 R HN 0.789 nan 8.270 nan 0.000 0.445 368 A N 3.253 126.099 122.820 0.043 0.000 2.540 368 A HA 0.029 4.395 4.320 0.076 0.000 0.239 368 A C 0.085 177.708 177.584 0.066 0.000 1.061 368 A CA -0.009 52.072 52.037 0.073 0.000 0.758 368 A CB 0.197 19.258 19.000 0.101 0.000 0.991 368 A HN 0.884 nan 8.150 nan 0.000 0.502 369 E N 2.331 122.538 120.200 0.011 0.000 2.413 369 E HA 0.170 4.566 4.350 0.076 0.000 0.263 369 E C -0.131 176.531 176.600 0.103 0.000 1.015 369 E CA -0.118 56.247 56.400 -0.057 0.000 0.916 369 E CB 0.409 29.932 29.700 -0.296 0.000 0.947 369 E HN 0.642 nan 8.360 nan 0.000 0.440 370 S N 3.802 119.493 115.700 -0.016 0.000 2.579 370 S HA 0.039 4.555 4.470 0.076 0.000 0.275 370 S C 1.509 176.037 174.600 -0.120 0.000 1.345 370 S CA -0.574 57.586 58.200 -0.067 0.000 1.031 370 S CB 0.611 63.684 63.200 -0.213 0.000 0.892 370 S HN 0.530 nan 8.310 nan 0.000 0.529 371 L N 1.749 122.787 121.223 -0.309 0.000 2.081 371 L HA -0.246 4.140 4.340 0.076 0.000 0.212 371 L C 1.554 178.132 176.870 -0.486 0.000 1.080 371 L CA 0.805 55.346 54.840 -0.498 0.000 0.754 371 L CB -1.015 40.458 42.059 -0.978 0.000 0.893 371 L HN 0.636 nan 8.230 nan 0.000 0.433 372 N N 0.179 118.457 118.700 -0.704 0.000 1.268 372 N HA -0.292 4.494 4.740 0.076 0.000 0.142 372 N C 1.214 176.394 175.510 -0.550 0.000 0.425 372 N CA 2.314 54.729 53.050 -1.059 0.000 1.060 372 N CB -1.481 35.844 38.487 -1.937 0.000 1.440 372 N HN 0.404 nan 8.380 nan 0.000 0.445 373 G N 0.730 109.231 108.800 -0.500 0.000 3.141 373 G HA2 0.012 4.017 3.960 0.076 0.000 0.218 373 G HA3 0.012 4.017 3.960 0.076 0.000 0.218 373 G C 0.347 175.280 174.900 0.055 0.000 1.170 373 G CA 0.107 45.232 45.100 0.042 0.000 0.769 373 G HN 0.653 nan 8.290 nan 0.000 0.546 374 N N 1.538 120.243 118.700 0.008 0.000 2.374 374 N HA 0.020 4.805 4.740 0.076 0.000 0.269 374 N C -0.627 174.937 175.510 0.090 0.000 1.310 374 N CA -0.920 52.171 53.050 0.068 0.000 0.877 374 N CB 1.454 39.977 38.487 0.060 0.000 1.096 374 N HN -0.027 nan 8.380 nan 0.000 0.484 375 P HA -0.190 nan 4.420 nan 0.000 0.219 375 P C 1.315 178.634 177.300 0.032 0.000 1.146 375 P CA 0.660 63.789 63.100 0.048 0.000 0.808 375 P CB 0.179 31.900 31.700 0.036 0.000 0.779 376 L N -1.143 120.104 121.223 0.040 0.000 2.201 376 L HA -0.008 4.378 4.340 0.076 0.000 0.212 376 L C 2.395 179.280 176.870 0.025 0.000 1.105 376 L CA 1.340 56.191 54.840 0.018 0.000 0.775 376 L CB -1.457 40.609 42.059 0.012 0.000 0.913 376 L HN -0.178 nan 8.230 nan 0.000 0.440 377 F N -0.912 118.977 119.950 -0.103 0.000 2.206 377 F HA -0.168 4.403 4.527 0.074 0.000 0.298 377 F C 2.383 178.119 175.800 -0.105 0.000 1.090 377 F CA 1.440 59.369 58.000 -0.117 0.000 1.323 377 F CB -0.036 38.879 39.000 -0.143 0.000 1.028 377 F HN 0.033 nan 8.300 nan 0.000 0.492 378 S N 0.329 115.933 115.700 -0.159 0.000 2.399 378 S HA -0.209 4.306 4.470 0.076 0.000 0.231 378 S C 1.972 176.423 174.600 -0.248 0.000 1.022 378 S CA 1.269 59.321 58.200 -0.246 0.000 0.983 378 S CB -0.332 62.809 63.200 -0.099 0.000 0.803 378 S HN 0.373 nan 8.310 nan 0.000 0.480 379 K N 1.359 121.660 120.400 -0.165 0.000 2.057 379 K HA -0.047 4.319 4.320 0.076 0.000 0.206 379 K C 2.215 178.701 176.600 -0.190 0.000 1.050 379 K CA 1.127 57.335 56.287 -0.132 0.000 0.935 379 K CB -0.327 32.133 32.500 -0.065 0.000 0.715 379 K HN 0.289 nan 8.250 nan 0.000 0.439 380 A N 1.573 124.237 122.820 -0.259 0.000 1.883 380 A HA -0.150 4.216 4.320 0.076 0.000 0.217 380 A C 2.136 179.386 177.584 -0.557 0.000 1.186 380 A CA 1.434 53.251 52.037 -0.368 0.000 0.624 380 A CB -0.685 18.140 19.000 -0.291 0.000 0.822 380 A HN 0.320 nan 8.150 nan 0.000 0.444 381 L N -0.853 120.009 121.223 -0.603 0.000 2.017 381 L HA -0.218 4.167 4.340 0.076 0.000 0.208 381 L C 3.109 179.832 176.870 -0.246 0.000 1.073 381 L CA 1.221 55.791 54.840 -0.449 0.000 0.745 381 L CB -0.648 41.116 42.059 -0.492 0.000 0.894 381 L HN 0.445 nan 8.230 nan 0.000 0.432 382 A N -0.250 122.430 122.820 -0.234 0.000 1.933 382 A HA -0.217 4.149 4.320 0.076 0.000 0.218 382 A C 1.901 179.404 177.584 -0.136 0.000 1.175 382 A CA 1.940 53.870 52.037 -0.178 0.000 0.628 382 A CB -0.485 18.413 19.000 -0.170 0.000 0.814 382 A HN 0.345 nan 8.150 nan 0.000 0.444 383 D N -0.101 120.222 120.400 -0.128 0.000 2.144 383 D HA -0.079 4.607 4.640 0.076 0.000 0.200 383 D C 1.903 178.165 176.300 -0.064 0.000 0.978 383 D CA 0.813 54.808 54.000 -0.008 0.000 0.833 383 D CB -0.282 40.570 40.800 0.086 0.000 0.961 383 D HN 0.430 nan 8.370 nan 0.000 0.470 384 L N 0.071 121.114 121.223 -0.299 0.000 2.017 384 L HA -0.148 4.237 4.340 0.076 0.000 0.208 384 L C 2.460 179.127 176.870 -0.340 0.000 1.073 384 L CA 0.670 55.285 54.840 -0.376 0.000 0.745 384 L CB -0.238 41.411 42.059 -0.682 0.000 0.894 384 L HN -0.048 nan 8.230 nan 0.000 0.432 385 V N -0.959 118.722 119.914 -0.387 0.000 2.407 385 V HA -0.347 3.818 4.120 0.076 0.000 0.248 385 V C 2.380 178.457 176.094 -0.028 0.000 1.055 385 V CA 1.946 64.069 62.300 -0.295 0.000 1.049 385 V CB -0.787 30.893 31.823 -0.239 0.000 0.662 385 V HN 0.551 nan 8.190 nan 0.000 0.455 386 H N 0.045 119.045 119.070 -0.118 0.000 2.293 386 H HA -0.150 4.452 4.556 0.076 0.000 0.300 386 H C 2.485 177.804 175.328 -0.015 0.000 1.082 386 H CA 1.619 57.636 56.048 -0.053 0.000 1.308 386 H CB 0.259 29.988 29.762 -0.055 0.000 1.375 386 H HN 0.437 nan 8.280 nan 0.000 0.495 387 S N -0.203 115.460 115.700 -0.062 0.000 2.382 387 S HA -0.195 4.321 4.470 0.076 0.000 0.228 387 S C 2.004 176.574 174.600 -0.050 0.000 1.027 387 S CA 1.067 59.203 58.200 -0.107 0.000 0.991 387 S CB -0.480 62.709 63.200 -0.017 0.000 0.823 387 S HN 0.585 nan 8.310 nan 0.000 0.469 388 H N 1.205 120.209 119.070 -0.110 0.000 2.353 388 H HA 0.045 4.647 4.556 0.075 0.000 0.300 388 H C 1.956 177.249 175.328 -0.059 0.000 1.090 388 H CA 1.418 57.410 56.048 -0.094 0.000 1.327 388 H CB -0.216 29.454 29.762 -0.153 0.000 1.383 388 H HN 0.370 nan 8.280 nan 0.000 0.508 389 I N 0.898 121.488 120.570 0.033 0.000 2.353 389 I HA -0.233 3.982 4.170 0.076 0.000 0.248 389 I C 2.577 178.661 176.117 -0.056 0.000 1.119 389 I CA 0.719 62.026 61.300 0.011 0.000 1.417 389 I CB -0.170 37.901 38.000 0.119 0.000 1.078 389 I HN 0.255 nan 8.210 nan 0.000 0.421 390 Q N 0.371 120.116 119.800 -0.093 0.000 2.167 390 Q HA -0.129 4.257 4.340 0.076 0.000 0.202 390 Q C 2.367 178.304 176.000 -0.105 0.000 0.970 390 Q CA 1.876 57.609 55.803 -0.116 0.000 0.855 390 Q CB -0.337 28.275 28.738 -0.210 0.000 0.911 390 Q HN 0.588 nan 8.270 nan 0.000 0.438 391 S N -0.478 115.148 115.700 -0.124 0.000 2.558 391 S HA -0.005 4.511 4.470 0.076 0.000 0.217 391 S C 0.481 175.005 174.600 -0.126 0.000 0.975 391 S CA 0.406 58.538 58.200 -0.112 0.000 0.912 391 S CB 0.004 63.142 63.200 -0.104 0.000 0.776 391 S HN 0.355 nan 8.310 nan 0.000 0.526 392 N N 1.398 120.001 118.700 -0.162 0.000 2.741 392 N HA -0.189 4.597 4.740 0.076 0.000 0.251 392 N C -0.282 175.117 175.510 -0.186 0.000 1.112 392 N CA 1.079 54.039 53.050 -0.151 0.000 0.750 392 N CB -1.417 37.020 38.487 -0.083 0.000 1.119 392 N HN 0.876 nan 8.380 nan 0.000 0.561 393 E N 0.594 120.614 120.200 -0.300 0.000 2.414 393 E HA -0.008 4.387 4.350 0.076 0.000 0.263 393 E C 0.725 177.198 176.600 -0.210 0.000 1.000 393 E CA 0.123 56.376 56.400 -0.246 0.000 0.914 393 E CB 0.432 29.984 29.700 -0.247 0.000 0.948 393 E HN 0.398 nan 8.360 nan 0.000 0.444 394 L N 3.533 124.755 121.223 -0.002 0.000 2.470 394 L HA 0.199 4.584 4.340 0.076 0.000 0.219 394 L C 0.460 177.463 176.870 0.221 0.000 1.071 394 L CA 0.156 55.076 54.840 0.134 0.000 0.850 394 L CB 0.404 42.535 42.059 0.120 0.000 1.040 394 L HN 0.784 nan 8.230 nan 0.000 0.475 395 C N -3.884 115.505 119.300 0.147 0.000 3.165 395 C HA 0.464 4.969 4.460 0.076 0.000 0.345 395 C C 0.134 175.172 174.990 0.081 0.000 1.367 395 C CA -1.122 57.964 59.018 0.113 0.000 1.205 395 C CB 0.784 28.569 27.740 0.074 0.000 1.447 395 C HN 0.227 nan 8.230 nan 0.000 0.451 396 S N 0.659 116.395 115.700 0.059 0.000 2.614 396 S HA 0.367 4.882 4.470 0.076 0.000 0.265 396 S C 0.865 175.475 174.600 0.017 0.000 1.303 396 S CA 0.495 58.723 58.200 0.046 0.000 1.000 396 S CB 1.223 64.450 63.200 0.046 0.000 0.935 396 S HN 1.186 nan 8.310 nan 0.000 0.551 397 K N 0.692 121.101 120.400 0.015 0.000 2.097 397 K HA -0.095 4.271 4.320 0.076 0.000 0.206 397 K C 2.154 178.744 176.600 -0.017 0.000 1.049 397 K CA 1.618 57.907 56.287 0.004 0.000 0.933 397 K CB -0.483 32.022 32.500 0.008 0.000 0.717 397 K HN 0.623 nan 8.250 nan 0.000 0.442 398 Q N 0.050 119.831 119.800 -0.032 0.000 2.181 398 Q HA -0.152 4.233 4.340 0.076 0.000 0.205 398 Q C 1.960 177.881 176.000 -0.131 0.000 0.980 398 Q CA 1.132 56.891 55.803 -0.075 0.000 0.862 398 Q CB -0.359 28.326 28.738 -0.089 0.000 0.905 398 Q HN 0.306 nan 8.270 nan 0.000 0.429 399 L N 1.051 122.193 121.223 -0.134 0.000 2.275 399 L HA -0.103 4.283 4.340 0.076 0.000 0.215 399 L C 2.113 178.950 176.870 -0.054 0.000 1.119 399 L CA 1.905 56.657 54.840 -0.147 0.000 0.790 399 L CB -0.633 41.371 42.059 -0.092 0.000 0.919 399 L HN 0.289 nan 8.230 nan 0.000 0.443 400 T N -3.070 111.469 114.554 -0.025 0.000 3.113 400 T HA 0.005 4.400 4.350 0.076 0.000 0.263 400 T C 0.515 175.210 174.700 -0.007 0.000 1.143 400 T CA 0.122 62.222 62.100 0.001 0.000 1.090 400 T CB -0.341 68.532 68.868 0.008 0.000 0.922 400 T HN 0.089 nan 8.240 nan 0.000 0.521 401 L N 1.721 122.929 121.223 -0.025 0.000 2.319 401 L HA 0.636 5.022 4.340 0.076 0.000 0.281 401 L C -0.498 176.360 176.870 -0.020 0.000 1.005 401 L CA -0.675 54.154 54.840 -0.018 0.000 0.828 401 L CB 1.789 43.837 42.059 -0.018 0.000 1.227 401 L HN -0.000 nan 8.230 nan 0.000 0.415 402 S N 2.637 118.336 115.700 -0.001 0.000 2.632 402 S HA 0.336 4.852 4.470 0.076 0.000 0.267 402 S C -0.095 174.514 174.600 0.015 0.000 1.276 402 S CA -0.584 57.623 58.200 0.012 0.000 0.998 402 S CB 0.595 63.806 63.200 0.018 0.000 0.953 402 S HN 0.811 nan 8.310 nan 0.000 0.547 403 C N 3.174 122.492 119.300 0.029 0.000 2.611 403 C HA 0.101 4.606 4.460 0.076 0.000 0.416 403 C C -0.718 174.280 174.990 0.013 0.000 1.366 403 C CA -0.835 58.198 59.018 0.025 0.000 1.761 403 C CB -0.606 27.153 27.740 0.031 0.000 2.619 403 C HN 0.713 nan 8.230 nan 0.000 0.606 404 P HA -0.091 nan 4.420 nan 0.000 0.218 404 P C 0.618 177.919 177.300 0.002 0.000 1.146 404 P CA 1.438 64.541 63.100 0.004 0.000 0.813 404 P CB 0.075 31.776 31.700 0.002 0.000 0.778 405 L N -2.173 119.050 121.223 0.000 0.000 3.110 405 L HA 0.214 4.600 4.340 0.076 0.000 0.266 405 L C 0.476 177.344 176.870 -0.002 0.000 1.257 405 L CA -0.726 54.112 54.840 -0.003 0.000 1.038 405 L CB -0.026 42.027 42.059 -0.009 0.000 1.395 405 L HN -0.039 nan 8.230 nan 0.000 0.566 406 C N 1.218 120.520 119.300 0.004 0.000 2.611 406 C HA 0.162 4.668 4.460 0.076 0.000 0.416 406 C C 1.822 176.814 174.990 0.003 0.000 1.366 406 C CA 0.063 59.085 59.018 0.007 0.000 1.761 406 C CB 0.312 28.061 27.740 0.016 0.000 2.619 406 C HN 0.450 nan 8.230 nan 0.000 0.606 407 V N 3.316 123.230 119.914 0.001 0.000 3.253 407 V HA 0.337 4.503 4.120 0.076 0.000 0.320 407 V C 0.426 176.524 176.094 0.005 0.000 1.442 407 V CA 0.088 62.389 62.300 0.002 0.000 1.097 407 V CB -0.851 30.970 31.823 -0.003 0.000 1.008 407 V HN 0.856 nan 8.190 nan 0.000 0.463 408 N N 3.109 121.814 118.700 0.009 0.000 2.457 408 N HA 0.418 5.203 4.740 0.076 0.000 0.250 408 N C -1.215 174.304 175.510 0.014 0.000 0.982 408 N CA -1.975 51.084 53.050 0.014 0.000 0.941 408 N CB 2.179 40.676 38.487 0.017 0.000 1.120 408 N HN 0.175 nan 8.380 nan 0.000 0.505 409 P HA -0.096 nan 4.420 nan 0.000 0.222 409 P C 1.010 178.308 177.300 -0.003 0.000 1.147 409 P CA 0.666 63.772 63.100 0.009 0.000 0.790 409 P CB 0.563 32.274 31.700 0.017 0.000 0.780 410 V N -0.300 119.620 119.914 0.010 0.000 2.809 410 V HA -0.159 4.006 4.120 0.076 0.000 0.256 410 V C 2.819 178.875 176.094 -0.063 0.000 1.080 410 V CA 1.268 63.561 62.300 -0.012 0.000 1.102 410 V CB -1.495 30.371 31.823 0.072 0.000 0.705 410 V HN 0.185 nan 8.190 nan 0.000 0.475 411 C N -0.137 119.156 119.300 -0.011 0.000 2.413 411 C HA -0.175 4.330 4.460 0.076 0.000 0.276 411 C C 2.912 177.894 174.990 -0.013 0.000 1.236 411 C CA 1.495 60.520 59.018 0.013 0.000 1.735 411 C CB -1.050 26.713 27.740 0.038 0.000 2.031 411 C HN 0.569 nan 8.230 nan 0.000 0.474 412 R N 0.966 121.447 120.500 -0.032 0.000 2.092 412 R HA -0.128 4.258 4.340 0.076 0.000 0.231 412 R C 2.041 178.287 176.300 -0.091 0.000 1.119 412 R CA 1.519 57.598 56.100 -0.036 0.000 0.970 412 R CB -0.224 30.061 30.300 -0.025 0.000 0.864 412 R HN 0.632 nan 8.270 nan 0.000 0.440 413 E N -0.811 119.268 120.200 -0.201 0.000 2.106 413 E HA -0.115 4.280 4.350 0.076 0.000 0.192 413 E C 1.801 178.064 176.600 -0.561 0.000 0.984 413 E CA 1.677 57.824 56.400 -0.422 0.000 0.806 413 E CB 0.029 29.333 29.700 -0.660 0.000 0.750 413 E HN 0.331 nan 8.360 nan 0.000 0.458 414 T N 1.261 115.561 114.554 -0.424 0.000 2.777 414 T HA -0.162 4.234 4.350 0.076 0.000 0.266 414 T C 1.811 176.625 174.700 0.191 0.000 1.040 414 T CA 1.312 63.336 62.100 -0.127 0.000 1.141 414 T CB -0.089 68.812 68.868 0.055 0.000 0.868 414 T HN 0.122 nan 8.240 nan 0.000 0.444 415 K N 0.991 121.470 120.400 0.132 0.000 2.009 415 K HA -0.126 4.239 4.320 0.076 0.000 0.210 415 K C 2.634 179.341 176.600 0.177 0.000 1.049 415 K CA 1.727 58.124 56.287 0.184 0.000 0.929 415 K CB -0.411 32.140 32.500 0.086 0.000 0.714 415 K HN 0.215 nan 8.250 nan 0.000 0.440 416 S N -0.195 115.551 115.700 0.077 0.000 2.400 416 S HA -0.182 4.333 4.470 0.076 0.000 0.232 416 S C 1.733 176.372 174.600 0.064 0.000 1.025 416 S CA 1.149 59.381 58.200 0.053 0.000 0.993 416 S CB -0.540 62.666 63.200 0.010 0.000 0.808 416 S HN 0.475 nan 8.310 nan 0.000 0.478 417 F N 1.118 121.012 119.950 -0.093 0.000 2.126 417 F HA -0.050 4.522 4.527 0.075 0.000 0.299 417 F C 1.505 177.154 175.800 -0.251 0.000 1.096 417 F CA 1.717 59.602 58.000 -0.191 0.000 1.255 417 F CB -0.528 38.298 39.000 -0.290 0.000 0.997 417 F HN 0.306 nan 8.300 nan 0.000 0.479 418 F N -0.005 119.994 119.950 0.081 0.000 2.270 418 F HA -0.069 4.505 4.527 0.079 0.000 0.295 418 F C 2.742 178.535 175.800 -0.012 0.000 1.087 418 F CA 1.432 59.442 58.000 0.017 0.000 1.365 418 F CB -1.179 37.917 39.000 0.160 0.000 1.056 418 F HN 0.005 nan 8.300 nan 0.000 0.506 419 T N -3.771 110.886 114.554 0.172 0.000 2.995 419 T HA -0.074 4.321 4.350 0.076 0.000 0.269 419 T C 1.719 176.434 174.700 0.024 0.000 1.091 419 T CA 1.342 63.498 62.100 0.093 0.000 1.128 419 T CB -0.449 68.466 68.868 0.078 0.000 0.891 419 T HN 0.073 nan 8.240 nan 0.000 0.492 420 S N 0.585 116.271 115.700 -0.024 0.000 2.575 420 S HA 0.229 4.744 4.470 0.076 0.000 0.215 420 S C 0.623 175.164 174.600 -0.098 0.000 0.966 420 S CA -0.407 57.760 58.200 -0.055 0.000 0.911 420 S CB -0.181 62.985 63.200 -0.057 0.000 0.780 420 S HN 0.474 nan 8.310 nan 0.000 0.514 421 Q N 2.687 122.408 119.800 -0.130 0.000 2.304 421 Q HA 0.030 4.415 4.340 0.076 0.000 0.301 421 Q C 0.215 176.173 176.000 -0.070 0.000 1.063 421 Q CA 0.538 56.255 55.803 -0.143 0.000 0.947 421 Q CB 0.237 28.919 28.738 -0.094 0.000 1.201 421 Q HN 0.425 nan 8.270 nan 0.000 0.389 422 Q N 3.622 123.380 119.800 -0.071 0.000 2.421 422 Q HA 0.270 4.655 4.340 0.076 0.000 0.255 422 Q C -0.343 175.640 176.000 -0.028 0.000 1.013 422 Q CA -0.458 55.319 55.803 -0.043 0.000 0.895 422 Q CB 0.416 29.129 28.738 -0.041 0.000 1.271 422 Q HN 0.751 nan 8.270 nan 0.000 0.460 423 L N 0.000 121.210 121.223 -0.022 0.000 2.949 423 L HA 0.000 4.386 4.340 0.076 0.000 0.249 423 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 423 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 423 L HN 0.000 nan 8.230 nan 0.000 0.502