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 1gki_1_D DATA FIRST_RESID 76 DATA SEQUENCE QGEFGGAPFK RFLRGTRIVS GGKLKRMTRE KAKQVTVAGV PMPRDAEPRH DATA SEQUENCE LLVNGATGTG KSVLLRELAY TGLLRGDRMV IVDPNGDMLS KFGRDKDIIL DATA SEQUENCE NPYDQRTKGW SFFNEIRNDY DWQRYALSVV PRGKTDEAEE WASYGRLLLR DATA SEQUENCE ETAKKLALIG TPSMRELFHW TTIATFDDLR GFLEGTLAES LFAGSNEASK DATA SEQUENCE ALTSARFVLS DKLPEHVTMP DGDFSIRSWL EDPNGGNLFI TWREDMGPAL DATA SEQUENCE RPLISAWVDV VCTSILSLPE EPKRRLWLFI DELASLEKLA SLADALTKGR DATA SEQUENCE KAGLRVVAGL QSTSQLDDVY GVKEAQTLRA SFRSLVVLGG SRTDPKTNED DATA SEQUENCE MSLSLGEHEV ERDRXXXXXX XXXXXXXXLE RVRERVVMPA EIANLPDLTA DATA SEQUENCE YVGFAGNRPI AKVPLEIKQF ANRQPAFVEG 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 76 Q HA 0.000 nan 4.340 nan 0.000 0.214 76 Q C 0.000 176.032 176.000 0.053 0.000 1.003 76 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 76 Q CB 0.000 28.845 28.738 0.177 0.000 1.108 77 G N 0.409 109.246 108.800 0.061 0.000 2.234 77 G HA2 -0.325 3.635 3.960 0.000 0.000 0.235 77 G HA3 -0.325 3.635 3.960 0.000 0.000 0.235 77 G C 0.649 175.592 174.900 0.072 0.000 0.997 77 G CA 0.733 45.862 45.100 0.048 0.000 0.623 77 G HN 0.471 nan 8.290 nan 0.000 0.514 78 E N -1.313 118.964 120.200 0.128 0.000 2.475 78 E HA 0.319 4.669 4.350 0.000 0.000 0.205 78 E C 0.541 177.306 176.600 0.275 0.000 0.822 78 E CA -0.442 56.059 56.400 0.169 0.000 1.240 78 E CB 0.321 30.121 29.700 0.166 0.000 1.222 78 E HN 0.526 nan 8.360 nan 0.000 0.581 79 F N 3.047 123.094 119.950 0.162 0.000 2.420 79 F HA 0.541 5.068 4.527 0.000 0.000 0.352 79 F C 1.260 177.158 175.800 0.163 0.000 1.108 79 F CA -0.521 57.606 58.000 0.212 0.000 1.162 79 F CB 1.662 40.887 39.000 0.375 0.000 1.118 79 F HN 0.025 nan 8.300 nan 0.000 0.510 80 G N 4.328 112.890 108.800 -0.397 0.000 2.471 80 G HA2 0.067 4.027 3.960 0.000 0.000 0.219 80 G HA3 0.067 4.027 3.960 0.000 0.000 0.219 80 G C 0.855 175.354 174.900 -0.668 0.000 1.125 80 G CA 0.456 45.309 45.100 -0.412 0.000 0.775 80 G HN 0.968 nan 8.290 nan 0.000 0.548 81 G N -0.183 107.673 108.800 -1.573 0.000 2.508 81 G HA2 0.502 4.462 3.960 0.000 0.000 0.278 81 G HA3 0.502 4.462 3.960 0.000 0.000 0.278 81 G C 0.286 175.000 174.900 -0.309 0.000 1.389 81 G CA 0.060 44.624 45.100 -0.894 0.000 1.050 81 G HN 0.551 nan 8.290 nan 0.000 0.522 82 A N 0.208 123.082 122.820 0.090 0.000 2.477 82 A HA 0.542 4.862 4.320 0.000 0.000 0.246 82 A C -1.991 175.845 177.584 0.419 0.000 1.078 82 A CA -0.724 51.434 52.037 0.201 0.000 0.770 82 A CB -0.152 18.959 19.000 0.185 0.000 1.011 82 A HN 0.411 nan 8.150 nan 0.000 0.494 83 P HA 0.311 nan 4.420 nan 0.000 0.268 83 P C -0.680 176.801 177.300 0.302 0.000 1.208 83 P CA 0.396 63.645 63.100 0.249 0.000 0.777 83 P CB 0.225 31.971 31.700 0.078 0.000 0.875 84 F N -0.733 119.304 119.950 0.144 0.000 2.620 84 F HA 0.618 5.145 4.527 0.000 0.000 0.320 84 F C 1.191 177.018 175.800 0.045 0.000 1.069 84 F CA -1.211 56.832 58.000 0.071 0.000 0.953 84 F CB 1.164 40.170 39.000 0.011 0.000 1.322 84 F HN 0.140 nan 8.300 nan 0.000 0.479 85 K N 0.381 120.906 120.400 0.208 0.000 2.021 85 K HA 0.129 4.449 4.320 0.000 0.000 0.205 85 K C 0.168 176.862 176.600 0.155 0.000 1.047 85 K CA 0.829 57.181 56.287 0.108 0.000 0.943 85 K CB 0.207 32.760 32.500 0.089 0.000 0.725 85 K HN 0.747 nan 8.250 nan 0.000 0.439 86 R N 0.067 120.732 120.500 0.275 0.000 2.651 86 R HA 0.150 4.490 4.340 0.000 0.000 0.278 86 R C -1.831 174.650 176.300 0.301 0.000 1.010 86 R CA -0.617 55.639 56.100 0.260 0.000 0.896 86 R CB 1.166 31.538 30.300 0.119 0.000 1.211 86 R HN 0.031 nan 8.270 nan 0.000 0.456 87 F N 4.945 124.994 119.950 0.165 0.000 2.404 87 F HA 0.293 4.820 4.527 0.000 0.000 0.345 87 F C 0.085 175.834 175.800 -0.085 0.000 1.110 87 F CA -0.326 57.650 58.000 -0.039 0.000 1.130 87 F CB 0.851 39.900 39.000 0.082 0.000 1.129 87 F HN 0.536 nan 8.300 nan 0.000 0.500 88 L N 4.138 124.893 121.223 -0.779 0.000 2.379 88 L HA 0.341 4.681 4.340 0.000 0.000 0.190 88 L C -0.002 176.556 176.870 -0.520 0.000 1.111 88 L CA 0.044 54.598 54.840 -0.478 0.000 0.820 88 L CB -0.066 41.769 42.059 -0.375 0.000 1.046 88 L HN 0.626 nan 8.230 nan 0.000 0.485 89 R N -1.734 118.244 120.500 -0.870 0.000 2.741 89 R HA 0.699 5.039 4.340 0.000 0.000 0.274 89 R C -0.482 175.599 176.300 -0.364 0.000 1.029 89 R CA -0.328 55.535 56.100 -0.395 0.000 0.880 89 R CB 0.428 30.631 30.300 -0.161 0.000 1.264 89 R HN 0.152 nan 8.270 nan 0.000 0.465 90 G N -0.202 108.610 108.800 0.020 0.000 2.548 90 G HA2 -0.118 3.842 3.960 0.000 0.000 0.208 90 G HA3 -0.118 3.842 3.960 0.000 0.000 0.208 90 G C -0.952 174.105 174.900 0.263 0.000 1.308 90 G CA -0.444 44.710 45.100 0.091 0.000 0.924 90 G HN 0.705 nan 8.290 nan 0.000 0.540 91 T N 2.075 116.746 114.554 0.195 0.000 2.870 91 T HA 0.512 4.862 4.350 0.000 0.000 0.300 91 T C 0.775 175.650 174.700 0.292 0.000 0.989 91 T CA 0.467 62.677 62.100 0.183 0.000 1.139 91 T CB 0.241 69.157 68.868 0.081 0.000 0.920 91 T HN 0.722 nan 8.240 nan 0.000 0.537 92 R N 3.094 123.705 120.500 0.185 0.000 2.445 92 R HA 0.698 5.038 4.340 0.000 0.000 0.308 92 R C -0.800 175.557 176.300 0.095 0.000 0.961 92 R CA -0.846 55.306 56.100 0.086 0.000 0.862 92 R CB 1.342 31.500 30.300 -0.238 0.000 1.144 92 R HN 0.565 nan 8.270 nan 0.000 0.447 93 I N 2.948 123.610 120.570 0.153 0.000 2.460 93 I HA 0.465 4.635 4.170 0.000 0.000 0.298 93 I C -1.039 175.168 176.117 0.149 0.000 0.989 93 I CA -1.113 60.294 61.300 0.177 0.000 1.173 93 I CB 1.840 40.002 38.000 0.270 0.000 1.338 93 I HN 0.466 nan 8.210 nan 0.000 0.456 94 V N 5.317 125.305 119.914 0.122 0.000 3.102 94 V HA 0.443 4.563 4.120 0.000 0.000 0.312 94 V C -0.230 175.915 176.094 0.086 0.000 1.135 94 V CA -0.510 61.843 62.300 0.088 0.000 1.022 94 V CB 2.682 34.539 31.823 0.056 0.000 1.056 94 V HN 0.882 nan 8.190 nan 0.000 0.436 95 S N 1.583 117.321 115.700 0.064 0.000 2.585 95 S HA 0.288 4.758 4.470 0.000 0.000 0.273 95 S C 1.378 176.003 174.600 0.041 0.000 1.339 95 S CA 0.249 58.478 58.200 0.049 0.000 1.028 95 S CB 1.215 64.437 63.200 0.036 0.000 0.906 95 S HN 1.304 nan 8.310 nan 0.000 0.528 96 G N 2.056 110.872 108.800 0.026 0.000 2.553 96 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 96 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 96 G C 1.420 176.342 174.900 0.037 0.000 1.195 96 G CA 0.796 45.910 45.100 0.024 0.000 0.779 96 G HN 1.100 nan 8.290 nan 0.000 0.577 97 G N 0.479 109.297 108.800 0.029 0.000 2.440 97 G HA2 -0.253 3.708 3.960 0.000 0.000 0.218 97 G HA3 -0.253 3.708 3.960 0.000 0.000 0.218 97 G C 1.741 176.662 174.900 0.035 0.000 1.154 97 G CA 1.454 46.572 45.100 0.030 0.000 0.767 97 G HN 0.569 nan 8.290 nan 0.000 0.552 98 K N -0.381 120.040 120.400 0.035 0.000 2.097 98 K HA -0.001 4.319 4.320 0.000 0.000 0.206 98 K C 2.320 178.948 176.600 0.047 0.000 1.049 98 K CA 1.015 57.323 56.287 0.034 0.000 0.933 98 K CB -0.297 32.221 32.500 0.030 0.000 0.717 98 K HN 0.251 nan 8.250 nan 0.000 0.442 99 L N 1.381 122.642 121.223 0.063 0.000 2.056 99 L HA -0.091 4.249 4.340 0.000 0.000 0.207 99 L C 1.674 178.603 176.870 0.100 0.000 1.078 99 L CA 1.776 56.671 54.840 0.092 0.000 0.749 99 L CB -0.338 41.791 42.059 0.115 0.000 0.901 99 L HN 0.069 nan 8.230 nan 0.000 0.433 100 K N -0.802 119.650 120.400 0.086 0.000 2.103 100 K HA -0.186 4.134 4.320 0.000 0.000 0.207 100 K C 2.206 178.839 176.600 0.055 0.000 1.048 100 K CA 1.696 58.031 56.287 0.079 0.000 0.930 100 K CB -0.172 32.366 32.500 0.063 0.000 0.716 100 K HN 0.350 nan 8.250 nan 0.000 0.444 101 R N 0.287 120.813 120.500 0.043 0.000 2.062 101 R HA -0.013 4.327 4.340 0.000 0.000 0.231 101 R C 2.440 178.755 176.300 0.026 0.000 1.136 101 R CA 1.498 57.616 56.100 0.029 0.000 0.948 101 R CB -0.266 30.048 30.300 0.023 0.000 0.845 101 R HN 0.196 nan 8.270 nan 0.000 0.430 102 M N 0.292 119.912 119.600 0.034 0.000 2.082 102 M HA -0.158 4.322 4.480 0.000 0.000 0.258 102 M C 2.332 178.645 176.300 0.022 0.000 1.069 102 M CA 2.329 57.647 55.300 0.030 0.000 1.102 102 M CB -0.666 31.959 32.600 0.042 0.000 1.336 102 M HN 0.268 nan 8.290 nan 0.000 0.404 103 T N -2.109 112.465 114.554 0.032 0.000 3.113 103 T HA 0.038 4.388 4.350 0.000 0.000 0.256 103 T C 0.864 175.545 174.700 -0.032 0.000 1.131 103 T CA -0.158 61.933 62.100 -0.015 0.000 1.074 103 T CB -0.243 68.610 68.868 -0.026 0.000 0.944 103 T HN 0.269 nan 8.240 nan 0.000 0.516 104 R N 1.358 121.856 120.500 -0.003 0.000 2.570 104 R HA 0.224 4.564 4.340 0.000 0.000 0.277 104 R C -0.371 175.919 176.300 -0.017 0.000 1.039 104 R CA 0.381 56.477 56.100 -0.006 0.000 1.065 104 R CB 0.311 30.616 30.300 0.007 0.000 0.964 104 R HN 0.476 nan 8.270 nan 0.000 0.428 105 E N 1.847 122.035 120.200 -0.020 0.000 2.392 105 E HA 0.155 4.505 4.350 0.000 0.000 0.269 105 E C 0.094 176.685 176.600 -0.014 0.000 0.924 105 E CA -0.951 55.436 56.400 -0.022 0.000 0.784 105 E CB 1.782 31.462 29.700 -0.034 0.000 1.292 105 E HN 0.555 nan 8.360 nan 0.000 0.447 106 K N 0.161 120.553 120.400 -0.014 0.000 1.985 106 K HA -0.023 4.297 4.320 0.000 0.000 0.210 106 K C 1.056 177.650 176.600 -0.010 0.000 1.047 106 K CA 0.943 57.224 56.287 -0.010 0.000 0.932 106 K CB -0.549 31.944 32.500 -0.011 0.000 0.716 106 K HN 0.405 nan 8.250 nan 0.000 0.439 107 A N 2.204 125.017 122.820 -0.012 0.000 2.387 107 A HA 0.077 4.397 4.320 0.000 0.000 0.251 107 A C -0.054 177.526 177.584 -0.006 0.000 1.113 107 A CA -0.173 51.858 52.037 -0.010 0.000 0.794 107 A CB 0.045 19.038 19.000 -0.012 0.000 1.069 107 A HN 0.237 nan 8.150 nan 0.000 0.506 108 K N 0.568 120.967 120.400 -0.002 0.000 2.350 108 K HA 0.244 4.564 4.320 0.000 0.000 0.279 108 K C -0.196 176.409 176.600 0.009 0.000 1.027 108 K CA 0.364 56.651 56.287 0.000 0.000 0.969 108 K CB 0.464 32.964 32.500 -0.001 0.000 0.954 108 K HN 0.710 nan 8.250 nan 0.000 0.474 109 Q N 0.584 120.389 119.800 0.009 0.000 2.496 109 Q HA 0.480 4.820 4.340 0.000 0.000 0.286 109 Q C -0.700 175.316 176.000 0.028 0.000 1.103 109 Q CA -1.136 54.680 55.803 0.022 0.000 0.813 109 Q CB 2.099 30.838 28.738 0.002 0.000 1.444 109 Q HN 0.433 nan 8.270 nan 0.000 0.443 110 V N -2.139 117.808 119.914 0.056 0.000 2.975 110 V HA 0.821 4.941 4.120 0.000 0.000 0.318 110 V C -0.178 175.954 176.094 0.062 0.000 1.077 110 V CA -0.724 61.597 62.300 0.034 0.000 1.000 110 V CB 1.449 33.289 31.823 0.028 0.000 1.066 110 V HN 0.926 nan 8.190 nan 0.000 0.452 111 T N -0.562 114.032 114.554 0.066 0.000 2.885 111 T HA 0.763 5.113 4.350 0.000 0.000 0.285 111 T C -0.689 174.104 174.700 0.155 0.000 1.019 111 T CA -0.703 61.469 62.100 0.121 0.000 1.010 111 T CB 1.598 70.531 68.868 0.108 0.000 1.022 111 T HN 0.794 nan 8.240 nan 0.000 0.466 112 V N 2.405 122.452 119.914 0.223 0.000 2.326 112 V HA 0.648 4.768 4.120 0.000 0.000 0.281 112 V C 0.801 176.976 176.094 0.134 0.000 1.015 112 V CA -0.240 62.181 62.300 0.201 0.000 0.823 112 V CB -0.004 31.987 31.823 0.279 0.000 1.009 112 V HN 1.590 nan 8.190 nan 0.000 0.436 113 A N 4.015 126.894 122.820 0.098 0.000 2.791 113 A HA 0.030 4.350 4.320 0.000 0.000 0.292 113 A C 1.733 179.360 177.584 0.071 0.000 1.487 113 A CA 1.276 53.352 52.037 0.066 0.000 0.760 113 A CB -1.531 17.487 19.000 0.030 0.000 1.031 113 A HN 2.559 nan 8.150 nan 0.000 0.503 114 G N -3.617 105.238 108.800 0.092 0.000 2.184 114 G HA2 -0.022 3.938 3.960 0.000 0.000 0.264 114 G HA3 -0.022 3.938 3.960 0.000 0.000 0.264 114 G C 0.328 175.289 174.900 0.103 0.000 0.975 114 G CA 0.574 45.726 45.100 0.086 0.000 0.642 114 G HN 1.897 nan 8.290 nan 0.000 0.536 115 V N 3.026 123.028 119.914 0.146 0.000 2.370 115 V HA 0.454 4.574 4.120 0.000 0.000 0.279 115 V C -1.499 174.730 176.094 0.226 0.000 1.029 115 V CA -1.698 60.722 62.300 0.199 0.000 0.870 115 V CB 1.690 33.679 31.823 0.277 0.000 0.984 115 V HN 0.201 nan 8.190 nan 0.000 0.451 116 P HA 0.029 nan 4.420 nan 0.000 0.262 116 P C -0.365 176.909 177.300 -0.044 0.000 1.199 116 P CA -0.018 63.117 63.100 0.059 0.000 0.763 116 P CB 0.628 32.343 31.700 0.025 0.000 0.790 117 M N 6.383 125.929 119.600 -0.089 0.000 2.162 117 M HA 0.305 4.785 4.480 0.000 0.000 0.356 117 M C -2.376 173.693 176.300 -0.384 0.000 1.303 117 M CA -2.196 52.843 55.300 -0.434 0.000 1.116 117 M CB 0.715 33.265 32.600 -0.084 0.000 1.632 117 M HN 0.081 nan 8.290 nan 0.000 0.469 118 P HA -0.009 nan 4.420 nan 0.000 0.262 118 P C -0.049 177.141 177.300 -0.183 0.000 1.182 118 P CA 0.012 62.930 63.100 -0.304 0.000 0.761 118 P CB 0.415 31.926 31.700 -0.316 0.000 0.795 119 R N 3.432 123.865 120.500 -0.111 0.000 2.096 119 R HA -0.199 4.141 4.340 0.000 0.000 0.240 119 R C 1.437 177.683 176.300 -0.091 0.000 1.139 119 R CA 2.465 58.520 56.100 -0.075 0.000 0.952 119 R CB -1.304 28.962 30.300 -0.057 0.000 0.854 119 R HN 0.675 nan 8.270 nan 0.000 0.436 120 D N -0.125 120.219 120.400 -0.093 0.000 2.309 120 D HA -0.088 4.552 4.640 0.000 0.000 0.212 120 D C 1.421 177.659 176.300 -0.103 0.000 0.968 120 D CA 1.157 55.101 54.000 -0.093 0.000 0.882 120 D CB -0.027 40.729 40.800 -0.073 0.000 0.918 120 D HN 0.207 nan 8.370 nan 0.000 0.503 121 A N 0.094 122.854 122.820 -0.101 0.000 2.169 121 A HA -0.003 4.317 4.320 0.000 0.000 0.212 121 A C 1.959 179.498 177.584 -0.076 0.000 1.153 121 A CA 0.388 52.383 52.037 -0.069 0.000 0.756 121 A CB -0.363 18.610 19.000 -0.045 0.000 0.813 121 A HN 0.193 nan 8.150 nan 0.000 0.471 122 E N 0.373 120.510 120.200 -0.104 0.000 2.023 122 E HA -0.143 4.207 4.350 0.000 0.000 0.196 122 E C -0.807 175.589 176.600 -0.339 0.000 1.003 122 E CA 1.509 57.817 56.400 -0.153 0.000 0.809 122 E CB -0.685 28.903 29.700 -0.186 0.000 0.755 122 E HN 0.509 nan 8.360 nan 0.000 0.449 123 P HA -0.020 nan 4.420 nan 0.000 0.249 123 P C 0.314 177.157 177.300 -0.763 0.000 1.241 123 P CA 0.659 63.463 63.100 -0.494 0.000 0.781 123 P CB 0.292 31.792 31.700 -0.333 0.000 1.088 124 R N -0.945 119.209 120.500 -0.577 0.000 2.334 124 R HA 0.117 4.457 4.340 0.000 0.000 0.216 124 R C 0.294 176.305 176.300 -0.481 0.000 0.905 124 R CA -0.188 55.617 56.100 -0.493 0.000 1.064 124 R CB -0.807 29.391 30.300 -0.171 0.000 1.046 124 R HN 0.372 nan 8.270 nan 0.000 0.508 125 H N -0.888 118.143 119.070 -0.066 0.000 4.747 125 H HA -0.203 4.353 4.556 0.000 0.000 0.260 125 H C -0.784 174.663 175.328 0.199 0.000 0.537 125 H CA 0.303 56.344 56.048 -0.012 0.000 0.689 125 H CB -0.801 28.782 29.762 -0.299 0.000 0.913 125 H HN 0.090 nan 8.280 nan 0.000 0.306 126 L N 1.570 123.078 121.223 0.475 0.000 2.410 126 L HA 0.548 4.888 4.340 0.000 0.000 0.270 126 L C -1.343 175.776 176.870 0.414 0.000 0.983 126 L CA -0.766 54.321 54.840 0.412 0.000 0.822 126 L CB 1.637 43.897 42.059 0.334 0.000 1.285 126 L HN 0.506 nan 8.230 nan 0.000 0.409 127 L N 6.115 127.466 121.223 0.212 0.000 2.298 127 L HA 0.622 4.962 4.340 0.000 0.000 0.284 127 L C -1.141 175.715 176.870 -0.024 0.000 1.013 127 L CA -0.253 54.531 54.840 -0.093 0.000 0.824 127 L CB 1.682 43.545 42.059 -0.328 0.000 1.221 127 L HN 0.408 nan 8.230 nan 0.000 0.418 128 V N 5.142 125.049 119.914 -0.011 0.000 2.304 128 V HA 0.373 4.493 4.120 0.000 0.000 0.269 128 V C 0.016 176.108 176.094 -0.004 0.000 1.036 128 V CA -0.590 61.722 62.300 0.020 0.000 0.840 128 V CB 0.728 32.590 31.823 0.065 0.000 1.036 128 V HN 0.809 nan 8.190 nan 0.000 0.466 129 N N 3.370 122.064 118.700 -0.010 0.000 2.438 129 N HA 0.739 5.479 4.740 0.000 0.000 0.282 129 N C -0.128 175.390 175.510 0.013 0.000 1.037 129 N CA 0.256 53.299 53.050 -0.011 0.000 0.942 129 N CB 1.611 40.085 38.487 -0.023 0.000 1.136 129 N HN 0.854 nan 8.380 nan 0.000 0.481 130 G N 0.723 109.532 108.800 0.015 0.000 2.655 130 G HA2 0.558 4.518 3.960 0.000 0.000 0.296 130 G HA3 0.558 4.518 3.960 0.000 0.000 0.296 130 G C -1.144 173.769 174.900 0.022 0.000 1.485 130 G CA -0.359 44.756 45.100 0.024 0.000 0.869 130 G HN 0.726 nan 8.290 nan 0.000 0.540 131 A N 0.695 123.528 122.820 0.022 0.000 2.475 131 A HA 0.616 4.936 4.320 0.000 0.000 0.239 131 A C 1.147 178.743 177.584 0.021 0.000 1.087 131 A CA 0.895 52.944 52.037 0.020 0.000 0.779 131 A CB 0.219 19.230 19.000 0.019 0.000 1.036 131 A HN 1.771 nan 8.150 nan 0.000 0.506 132 T N -0.110 114.456 114.554 0.019 0.000 2.867 132 T HA 0.425 4.775 4.350 0.000 0.000 0.297 132 T C 1.283 175.993 174.700 0.016 0.000 0.989 132 T CA 1.486 63.598 62.100 0.020 0.000 1.159 132 T CB -0.421 68.458 68.868 0.018 0.000 0.928 132 T HN 2.378 nan 8.240 nan 0.000 0.538 133 G N 3.272 112.081 108.800 0.016 0.000 2.136 133 G HA2 -0.291 3.669 3.960 0.000 0.000 0.242 133 G HA3 -0.291 3.669 3.960 0.000 0.000 0.242 133 G C 0.775 175.683 174.900 0.014 0.000 0.989 133 G CA 0.965 46.073 45.100 0.013 0.000 0.682 133 G HN 1.256 nan 8.290 nan 0.000 0.522 134 T N -3.420 111.145 114.554 0.018 0.000 3.037 134 T HA 0.484 4.834 4.350 0.000 0.000 0.251 134 T C 1.987 176.699 174.700 0.020 0.000 1.079 134 T CA 1.596 63.707 62.100 0.018 0.000 1.067 134 T CB 0.740 69.621 68.868 0.022 0.000 0.948 134 T HN 2.035 nan 8.240 nan 0.000 0.496 135 G N 1.032 109.847 108.800 0.025 0.000 2.321 135 G HA2 -0.139 3.821 3.960 0.000 0.000 0.174 135 G HA3 -0.139 3.821 3.960 0.000 0.000 0.174 135 G C 0.761 175.686 174.900 0.041 0.000 1.008 135 G CA 0.113 45.231 45.100 0.030 0.000 0.739 135 G HN 0.408 nan 8.290 nan 0.000 0.502 136 K N 0.844 121.270 120.400 0.043 0.000 2.044 136 K HA -0.099 4.221 4.320 0.000 0.000 0.210 136 K C 2.590 179.229 176.600 0.066 0.000 1.049 136 K CA 1.878 58.199 56.287 0.057 0.000 0.927 136 K CB -0.231 32.302 32.500 0.056 0.000 0.713 136 K HN 0.309 nan 8.250 nan 0.000 0.443 137 S N 0.702 116.434 115.700 0.053 0.000 2.368 137 S HA -0.110 4.360 4.470 0.000 0.000 0.225 137 S C 2.153 176.783 174.600 0.049 0.000 1.030 137 S CA 1.128 59.355 58.200 0.045 0.000 0.999 137 S CB -0.228 62.988 63.200 0.026 0.000 0.844 137 S HN 0.051 nan 8.310 nan 0.000 0.459 138 V N 2.116 122.063 119.914 0.055 0.000 2.255 138 V HA -0.176 3.944 4.120 0.000 0.000 0.247 138 V C 2.213 178.359 176.094 0.087 0.000 1.051 138 V CA 1.757 64.103 62.300 0.077 0.000 1.018 138 V CB -0.617 31.244 31.823 0.065 0.000 0.641 138 V HN 0.425 nan 8.190 nan 0.000 0.445 139 L N -0.949 120.321 121.223 0.077 0.000 2.012 139 L HA -0.225 4.115 4.340 0.000 0.000 0.210 139 L C 2.336 179.263 176.870 0.096 0.000 1.073 139 L CA 1.771 56.663 54.840 0.088 0.000 0.748 139 L CB -0.193 41.916 42.059 0.083 0.000 0.891 139 L HN 0.241 nan 8.230 nan 0.000 0.431 140 L N -0.273 121.008 121.223 0.097 0.000 2.131 140 L HA -0.185 4.155 4.340 0.000 0.000 0.210 140 L C 2.698 179.519 176.870 -0.081 0.000 1.092 140 L CA 1.551 56.450 54.840 0.099 0.000 0.759 140 L CB -0.683 41.465 42.059 0.149 0.000 0.903 140 L HN 0.205 nan 8.230 nan 0.000 0.435 141 R N -0.497 119.983 120.500 -0.034 0.000 2.075 141 R HA -0.194 4.146 4.340 0.000 0.000 0.232 141 R C 2.274 178.538 176.300 -0.061 0.000 1.126 141 R CA 1.557 57.626 56.100 -0.051 0.000 0.963 141 R CB -0.091 30.223 30.300 0.023 0.000 0.858 141 R HN 0.497 nan 8.270 nan 0.000 0.435 142 E N 0.491 120.733 120.200 0.069 0.000 2.077 142 E HA -0.212 4.138 4.350 0.000 0.000 0.193 142 E C 2.042 178.674 176.600 0.053 0.000 0.989 142 E CA 0.918 57.414 56.400 0.160 0.000 0.800 142 E CB -0.119 29.690 29.700 0.182 0.000 0.746 142 E HN 0.354 nan 8.360 nan 0.000 0.452 143 L N 0.478 121.697 121.223 -0.007 0.000 2.017 143 L HA -0.188 4.152 4.340 0.000 0.000 0.208 143 L C 2.650 179.373 176.870 -0.245 0.000 1.073 143 L CA 1.425 56.231 54.840 -0.055 0.000 0.745 143 L CB -0.458 41.658 42.059 0.096 0.000 0.894 143 L HN 0.304 nan 8.230 nan 0.000 0.432 144 A N -0.856 121.686 122.820 -0.463 0.000 1.883 144 A HA -0.332 3.988 4.320 0.000 0.000 0.217 144 A C 2.117 179.330 177.584 -0.618 0.000 1.186 144 A CA 1.982 53.566 52.037 -0.755 0.000 0.624 144 A CB -1.107 17.265 19.000 -1.046 0.000 0.822 144 A HN 0.585 nan 8.150 nan 0.000 0.444 145 Y N 1.909 121.733 120.300 -0.794 0.000 2.070 145 Y HA -0.277 4.273 4.550 0.000 0.000 0.280 145 Y C 2.907 178.575 175.900 -0.387 0.000 1.148 145 Y CA 2.882 60.493 58.100 -0.816 0.000 1.125 145 Y CB -1.080 37.039 38.460 -0.567 0.000 0.975 145 Y HN 0.437 nan 8.280 nan 0.000 0.492 146 T N -2.358 111.948 114.554 -0.413 0.000 2.881 146 T HA -0.089 4.261 4.350 0.000 0.000 0.270 146 T C 2.151 176.662 174.700 -0.317 0.000 1.068 146 T CA 1.205 63.065 62.100 -0.400 0.000 1.131 146 T CB -1.295 67.484 68.868 -0.148 0.000 0.871 146 T HN 0.444 nan 8.240 nan 0.000 0.479 147 G N 1.340 109.940 108.800 -0.333 0.000 2.403 147 G HA2 0.045 4.005 3.960 0.000 0.000 0.216 147 G HA3 0.045 4.005 3.960 0.000 0.000 0.216 147 G C 1.507 176.300 174.900 -0.179 0.000 1.154 147 G CA 0.490 45.432 45.100 -0.263 0.000 0.784 147 G HN 0.524 nan 8.290 nan 0.000 0.538 148 L N 0.045 121.102 121.223 -0.276 0.000 2.093 148 L HA 0.050 4.390 4.340 0.000 0.000 0.208 148 L C 2.821 179.585 176.870 -0.177 0.000 1.085 148 L CA 0.403 55.127 54.840 -0.193 0.000 0.755 148 L CB -0.329 41.583 42.059 -0.245 0.000 0.904 148 L HN 0.172 nan 8.230 nan 0.000 0.435 149 L N -0.485 120.557 121.223 -0.301 0.000 2.131 149 L HA -0.210 4.130 4.340 0.000 0.000 0.210 149 L C 2.616 179.412 176.870 -0.124 0.000 1.092 149 L CA 1.135 55.830 54.840 -0.242 0.000 0.759 149 L CB -0.452 41.387 42.059 -0.367 0.000 0.903 149 L HN 0.252 nan 8.230 nan 0.000 0.435 150 R N 0.188 120.628 120.500 -0.099 0.000 2.299 150 R HA 0.005 4.345 4.340 0.000 0.000 0.197 150 R C 1.121 177.421 176.300 -0.000 0.000 0.971 150 R CA 0.654 56.736 56.100 -0.030 0.000 1.030 150 R CB 0.128 30.433 30.300 0.008 0.000 0.932 150 R HN 0.396 nan 8.270 nan 0.000 0.477 151 G N 1.313 110.108 108.800 -0.007 0.000 2.137 151 G HA2 -0.209 3.752 3.960 0.000 0.000 0.237 151 G HA3 -0.209 3.752 3.960 0.000 0.000 0.237 151 G C -0.731 174.201 174.900 0.054 0.000 1.002 151 G CA 0.238 45.350 45.100 0.019 0.000 0.702 151 G HN 0.400 nan 8.290 nan 0.000 0.515 152 D N -0.023 120.436 120.400 0.099 0.000 2.313 152 D HA 0.441 5.081 4.640 0.000 0.000 0.247 152 D C 1.067 177.477 176.300 0.182 0.000 1.094 152 D CA -0.100 54.008 54.000 0.180 0.000 0.925 152 D CB 0.811 41.852 40.800 0.401 0.000 1.188 152 D HN 0.385 nan 8.370 nan 0.000 0.430 153 R N 0.439 121.041 120.500 0.170 0.000 2.532 153 R HA 0.691 5.031 4.340 0.000 0.000 0.272 153 R C 0.238 176.704 176.300 0.276 0.000 1.032 153 R CA -0.535 55.658 56.100 0.155 0.000 1.089 153 R CB 1.089 31.399 30.300 0.017 0.000 1.098 153 R HN 0.506 nan 8.270 nan 0.000 0.526 154 M N -1.445 118.328 119.600 0.288 0.000 2.603 154 M HA 0.402 4.882 4.480 0.000 0.000 0.275 154 M C -1.573 174.907 176.300 0.301 0.000 1.226 154 M CA -1.157 54.354 55.300 0.351 0.000 0.870 154 M CB 1.917 34.763 32.600 0.409 0.000 1.716 154 M HN 0.188 nan 8.290 nan 0.000 0.482 155 V N 2.893 122.983 119.914 0.293 0.000 2.409 155 V HA 0.578 4.698 4.120 0.000 0.000 0.291 155 V C -0.569 175.612 176.094 0.146 0.000 1.020 155 V CA -0.407 61.990 62.300 0.162 0.000 0.848 155 V CB 1.737 33.678 31.823 0.196 0.000 0.990 155 V HN 0.723 nan 8.190 nan 0.000 0.430 156 I N 4.984 125.540 120.570 -0.022 0.000 2.382 156 I HA 0.333 4.503 4.170 0.000 0.000 0.286 156 I C -0.201 175.996 176.117 0.133 0.000 1.002 156 I CA -0.840 60.498 61.300 0.062 0.000 1.135 156 I CB 2.062 39.974 38.000 -0.148 0.000 1.288 156 I HN 0.267 nan 8.210 nan 0.000 0.448 157 V N 4.980 125.039 119.914 0.242 0.000 2.364 157 V HA 0.013 4.133 4.120 0.000 0.000 0.252 157 V C -0.070 176.220 176.094 0.327 0.000 1.075 157 V CA 0.230 62.741 62.300 0.352 0.000 1.033 157 V CB 0.164 32.201 31.823 0.357 0.000 1.116 157 V HN 0.627 nan 8.190 nan 0.000 0.488 158 D N 7.303 127.853 120.400 0.250 0.000 2.454 158 D HA 0.377 5.017 4.640 0.000 0.000 0.225 158 D C -2.677 173.382 176.300 -0.402 0.000 1.081 158 D CA -2.145 51.867 54.000 0.020 0.000 0.864 158 D CB 1.755 42.637 40.800 0.136 0.000 1.040 158 D HN 0.254 nan 8.370 nan 0.000 0.517 159 P HA 0.149 nan 4.420 nan 0.000 0.271 159 P C -0.165 176.741 177.300 -0.656 0.000 1.216 159 P CA -0.133 62.282 63.100 -1.141 0.000 0.771 159 P CB 0.461 31.791 31.700 -0.616 0.000 0.864 160 N N 2.322 120.604 118.700 -0.696 0.000 2.713 160 N HA -0.211 4.529 4.740 0.000 0.000 0.251 160 N C 0.861 176.221 175.510 -0.250 0.000 1.117 160 N CA 1.674 54.488 53.050 -0.393 0.000 0.770 160 N CB -1.843 36.469 38.487 -0.292 0.000 1.137 160 N HN 0.882 nan 8.380 nan 0.000 0.566 161 G N 0.410 109.070 108.800 -0.233 0.000 2.321 161 G HA2 -0.374 3.586 3.960 0.000 0.000 0.287 161 G HA3 -0.374 3.586 3.960 0.000 0.000 0.287 161 G C 0.633 175.450 174.900 -0.138 0.000 1.018 161 G CA 1.294 46.321 45.100 -0.121 0.000 0.855 161 G HN 0.644 nan 8.290 nan 0.000 0.507 162 D N -0.444 119.862 120.400 -0.156 0.000 2.084 162 D HA -0.102 4.538 4.640 0.000 0.000 0.194 162 D C 2.602 178.779 176.300 -0.205 0.000 0.990 162 D CA 1.623 55.524 54.000 -0.166 0.000 0.826 162 D CB -0.099 40.612 40.800 -0.150 0.000 0.971 162 D HN 0.335 nan 8.370 nan 0.000 0.453 163 M N -0.184 119.346 119.600 -0.117 0.000 2.159 163 M HA -0.085 4.395 4.480 0.000 0.000 0.263 163 M C 2.264 178.531 176.300 -0.054 0.000 1.063 163 M CA 0.712 55.971 55.300 -0.068 0.000 1.110 163 M CB -0.792 31.929 32.600 0.201 0.000 1.374 163 M HN 0.251 nan 8.290 nan 0.000 0.411 164 L N 0.895 122.045 121.223 -0.121 0.000 2.017 164 L HA -0.166 4.174 4.340 0.000 0.000 0.208 164 L C 2.614 179.191 176.870 -0.488 0.000 1.073 164 L CA 2.389 56.820 54.840 -0.682 0.000 0.745 164 L CB -0.853 40.898 42.059 -0.513 0.000 0.894 164 L HN 0.401 nan 8.230 nan 0.000 0.432 165 S N -1.774 113.732 115.700 -0.323 0.000 2.507 165 S HA -0.079 4.391 4.470 0.000 0.000 0.235 165 S C 1.744 176.167 174.600 -0.296 0.000 0.988 165 S CA 0.583 58.627 58.200 -0.260 0.000 0.944 165 S CB -0.379 62.709 63.200 -0.187 0.000 0.762 165 S HN 0.491 nan 8.310 nan 0.000 0.526 166 K N 0.275 120.393 120.400 -0.470 0.000 2.262 166 K HA 0.270 4.590 4.320 0.000 0.000 0.200 166 K C 0.565 176.837 176.600 -0.548 0.000 1.058 166 K CA 0.656 56.547 56.287 -0.660 0.000 0.974 166 K CB -0.258 31.481 32.500 -1.269 0.000 0.910 166 K HN 0.549 nan 8.250 nan 0.000 0.484 167 F N 0.897 120.818 119.950 -0.049 0.000 2.706 167 F HA 0.329 4.856 4.527 0.000 0.000 0.313 167 F C 1.123 176.957 175.800 0.056 0.000 1.096 167 F CA -1.163 56.865 58.000 0.046 0.000 1.219 167 F CB -0.287 38.777 39.000 0.106 0.000 1.051 167 F HN -0.172 nan 8.300 nan 0.000 0.568 168 G N 1.536 110.272 108.800 -0.106 0.000 2.378 168 G HA2 0.461 4.421 3.960 0.000 0.000 0.255 168 G HA3 0.461 4.421 3.960 0.000 0.000 0.255 168 G C 0.165 175.022 174.900 -0.070 0.000 1.270 168 G CA -0.315 44.606 45.100 -0.299 0.000 0.876 168 G HN 0.173 nan 8.290 nan 0.000 0.521 169 R N 1.140 121.658 120.500 0.031 0.000 2.981 169 R HA 0.359 4.699 4.340 0.000 0.000 0.228 169 R C 0.290 176.606 176.300 0.026 0.000 1.421 169 R CA -0.841 55.288 56.100 0.049 0.000 1.073 169 R CB 0.805 31.166 30.300 0.102 0.000 1.568 169 R HN 0.410 nan 8.270 nan 0.000 0.514 170 D N 0.516 120.938 120.400 0.036 0.000 2.213 170 D HA -0.098 4.542 4.640 0.000 0.000 0.205 170 D C 1.162 177.496 176.300 0.057 0.000 0.961 170 D CA 1.169 55.186 54.000 0.028 0.000 0.853 170 D CB 0.103 40.917 40.800 0.024 0.000 0.967 170 D HN 0.422 nan 8.370 nan 0.000 0.496 171 K N 0.407 120.859 120.400 0.086 0.000 2.486 171 K HA 0.023 4.343 4.320 0.000 0.000 0.194 171 K C -0.131 176.570 176.600 0.168 0.000 1.033 171 K CA 0.268 56.625 56.287 0.117 0.000 1.004 171 K CB 0.191 32.760 32.500 0.116 0.000 0.798 171 K HN -0.063 nan 8.250 nan 0.000 0.495 172 D N 1.326 121.827 120.400 0.168 0.000 2.339 172 D HA 0.180 4.820 4.640 0.000 0.000 0.245 172 D C 0.123 176.516 176.300 0.155 0.000 1.115 172 D CA -0.292 53.853 54.000 0.240 0.000 0.917 172 D CB 0.890 41.883 40.800 0.321 0.000 1.192 172 D HN -0.044 nan 8.370 nan 0.000 0.428 173 I N 1.443 122.103 120.570 0.149 0.000 2.498 173 I HA 0.389 4.559 4.170 0.000 0.000 0.301 173 I C 0.371 176.424 176.117 -0.106 0.000 0.984 173 I CA -0.525 60.724 61.300 -0.086 0.000 1.204 173 I CB 1.053 38.857 38.000 -0.326 0.000 1.362 173 I HN 0.187 nan 8.210 nan 0.000 0.471 174 I N 5.856 126.284 120.570 -0.237 0.000 2.499 174 I HA 0.374 4.544 4.170 0.000 0.000 0.288 174 I C -0.847 175.061 176.117 -0.349 0.000 1.048 174 I CA -0.522 60.663 61.300 -0.192 0.000 1.062 174 I CB 2.368 40.297 38.000 -0.120 0.000 1.238 174 I HN 0.212 nan 8.210 nan 0.000 0.426 175 L N 6.531 127.518 121.223 -0.395 0.000 2.316 175 L HA 0.536 4.876 4.340 0.000 0.000 0.280 175 L C -0.674 176.060 176.870 -0.227 0.000 1.006 175 L CA -0.310 54.156 54.840 -0.623 0.000 0.836 175 L CB 1.229 42.454 42.059 -1.389 0.000 1.221 175 L HN 0.557 nan 8.230 nan 0.000 0.418 176 N N 5.346 124.063 118.700 0.030 0.000 2.839 176 N HA 0.163 4.903 4.740 0.000 0.000 0.258 176 N C -2.364 173.305 175.510 0.266 0.000 1.150 176 N CA -1.046 52.183 53.050 0.298 0.000 0.957 176 N CB 2.473 41.139 38.487 0.298 0.000 1.560 176 N HN 0.095 nan 8.380 nan 0.000 0.588 177 P HA -0.107 nan 4.420 nan 0.000 0.220 177 P C 0.298 177.448 177.300 -0.249 0.000 1.144 177 P CA 1.309 64.406 63.100 -0.005 0.000 0.800 177 P CB 0.119 31.752 31.700 -0.113 0.000 0.772 178 Y N -1.231 119.201 120.300 0.219 0.000 2.467 178 Y HA 0.274 4.824 4.550 0.000 0.000 0.250 178 Y C 0.976 176.976 175.900 0.166 0.000 1.155 178 Y CA -0.694 57.546 58.100 0.234 0.000 1.249 178 Y CB -0.003 38.661 38.460 0.340 0.000 1.146 178 Y HN -0.067 nan 8.280 nan 0.000 0.524 179 D N 0.797 121.315 120.400 0.197 0.000 2.193 179 D HA 0.031 4.671 4.640 0.000 0.000 0.244 179 D C 0.887 177.126 176.300 -0.103 0.000 1.064 179 D CA -0.075 53.885 54.000 -0.068 0.000 0.845 179 D CB 1.660 42.480 40.800 0.033 0.000 1.148 179 D HN 0.221 nan 8.370 nan 0.000 0.464 180 Q N 3.082 122.773 119.800 -0.181 0.000 2.248 180 Q HA -0.180 4.160 4.340 0.000 0.000 0.208 180 Q C 1.254 177.197 176.000 -0.095 0.000 0.984 180 Q CA 1.487 57.216 55.803 -0.124 0.000 0.875 180 Q CB 0.270 28.924 28.738 -0.141 0.000 0.910 180 Q HN 0.409 nan 8.270 nan 0.000 0.433 181 R N -0.307 120.129 120.500 -0.106 0.000 2.299 181 R HA 0.060 4.400 4.340 0.000 0.000 0.197 181 R C 0.804 177.045 176.300 -0.098 0.000 0.971 181 R CA 0.434 56.478 56.100 -0.093 0.000 1.030 181 R CB -0.012 30.227 30.300 -0.101 0.000 0.932 181 R HN 0.078 nan 8.270 nan 0.000 0.477 182 T N 1.230 115.730 114.554 -0.090 0.000 2.906 182 T HA -0.006 4.344 4.350 0.000 0.000 0.320 182 T C 0.306 174.929 174.700 -0.128 0.000 1.088 182 T CA -0.025 62.004 62.100 -0.118 0.000 1.120 182 T CB 0.480 69.314 68.868 -0.057 0.000 1.000 182 T HN -0.073 nan 8.240 nan 0.000 0.550 183 K N 2.279 122.542 120.400 -0.229 0.000 2.102 183 K HA 0.451 4.771 4.320 0.000 0.000 0.244 183 K C 0.600 177.188 176.600 -0.019 0.000 1.021 183 K CA -0.475 55.703 56.287 -0.183 0.000 0.913 183 K CB 0.509 32.715 32.500 -0.489 0.000 1.062 183 K HN 0.767 nan 8.250 nan 0.000 0.485 184 G N -0.063 108.797 108.800 0.100 0.000 2.356 184 G HA2 0.396 4.356 3.960 0.000 0.000 0.298 184 G HA3 0.396 4.356 3.960 0.000 0.000 0.298 184 G C -1.533 173.579 174.900 0.353 0.000 1.145 184 G CA -0.377 44.832 45.100 0.182 0.000 0.850 184 G HN 0.557 nan 8.290 nan 0.000 0.487 185 W N 1.352 122.759 121.300 0.178 0.000 3.213 185 W HA 0.615 5.275 4.660 0.000 0.000 0.318 185 W C -0.690 176.012 176.519 0.304 0.000 1.248 185 W CA -0.750 56.757 57.345 0.270 0.000 1.187 185 W CB 2.150 31.812 29.460 0.337 0.000 1.403 185 W HN 0.822 nan 8.180 nan 0.000 0.556 186 S N 3.732 118.881 115.700 -0.918 0.000 2.537 186 S HA 0.304 4.774 4.470 0.000 0.000 0.271 186 S C 0.059 173.753 174.600 -1.510 0.000 1.148 186 S CA -0.374 57.315 58.200 -0.851 0.000 0.868 186 S CB 0.260 63.355 63.200 -0.176 0.000 1.115 186 S HN 0.935 nan 8.310 nan 0.000 0.461 187 F N 2.693 121.938 119.950 -1.175 0.000 2.546 187 F HA 0.238 4.765 4.527 0.000 0.000 0.298 187 F C 1.100 176.626 175.800 -0.457 0.000 1.120 187 F CA 0.481 58.084 58.000 -0.660 0.000 1.456 187 F CB -0.769 38.111 39.000 -0.199 0.000 1.088 187 F HN 0.527 nan 8.300 nan 0.000 0.572 188 F N 1.590 120.880 119.950 -1.100 0.000 2.171 188 F HA -0.197 4.330 4.527 0.000 0.000 0.300 188 F C 1.929 177.387 175.800 -0.571 0.000 1.090 188 F CA 1.437 58.918 58.000 -0.865 0.000 1.293 188 F CB -0.718 37.958 39.000 -0.539 0.000 1.013 188 F HN 0.003 nan 8.300 nan 0.000 0.486 189 N N 0.123 118.644 118.700 -0.299 0.000 2.513 189 N HA -0.140 4.600 4.740 0.000 0.000 0.187 189 N C 1.269 176.649 175.510 -0.216 0.000 1.056 189 N CA 0.918 53.839 53.050 -0.214 0.000 0.907 189 N CB -0.336 38.047 38.487 -0.174 0.000 0.954 189 N HN 0.362 nan 8.380 nan 0.000 0.445 190 E N -0.204 119.794 120.200 -0.337 0.000 2.460 190 E HA 0.107 4.457 4.350 0.000 0.000 0.200 190 E C 0.302 176.607 176.600 -0.492 0.000 1.011 190 E CA -0.122 56.014 56.400 -0.441 0.000 0.912 190 E CB 0.591 29.821 29.700 -0.784 0.000 0.953 190 E HN 0.218 nan 8.360 nan 0.000 0.494 191 I N 2.140 122.406 120.570 -0.507 0.000 2.533 191 I HA 0.027 4.197 4.170 0.000 0.000 0.284 191 I C 1.447 177.348 176.117 -0.360 0.000 1.109 191 I CA 0.603 61.570 61.300 -0.555 0.000 1.412 191 I CB 0.353 37.780 38.000 -0.956 0.000 1.396 191 I HN -0.013 nan 8.210 nan 0.000 0.543 192 R N 3.817 124.136 120.500 -0.301 0.000 2.576 192 R HA 0.267 4.607 4.340 0.000 0.000 0.237 192 R C -0.038 176.164 176.300 -0.164 0.000 0.917 192 R CA -0.143 55.846 56.100 -0.185 0.000 1.002 192 R CB 0.763 30.993 30.300 -0.118 0.000 1.428 192 R HN 0.607 nan 8.270 nan 0.000 0.603 193 N N 0.255 118.795 118.700 -0.267 0.000 2.697 193 N HA 0.048 4.788 4.740 0.000 0.000 0.272 193 N C -0.323 175.071 175.510 -0.194 0.000 1.381 193 N CA -0.433 52.504 53.050 -0.188 0.000 0.797 193 N CB 1.740 40.105 38.487 -0.205 0.000 1.523 193 N HN -0.193 nan 8.380 nan 0.000 0.518 194 D N -0.146 120.276 120.400 0.036 0.000 2.144 194 D HA -0.157 4.483 4.640 0.000 0.000 0.200 194 D C 1.691 178.112 176.300 0.201 0.000 0.978 194 D CA 1.471 55.595 54.000 0.207 0.000 0.833 194 D CB -0.027 40.920 40.800 0.246 0.000 0.961 194 D HN 0.650 nan 8.370 nan 0.000 0.470 195 Y N -0.845 119.529 120.300 0.123 0.000 2.574 195 Y HA 0.054 4.604 4.550 0.000 0.000 0.294 195 Y C 1.251 177.205 175.900 0.089 0.000 1.142 195 Y CA 0.602 58.764 58.100 0.104 0.000 1.314 195 Y CB -0.468 38.027 38.460 0.059 0.000 0.991 195 Y HN -0.134 nan 8.280 nan 0.000 0.555 196 D N 0.184 120.336 120.400 -0.414 0.000 2.269 196 D HA -0.123 4.517 4.640 0.000 0.000 0.208 196 D C 1.321 177.623 176.300 0.004 0.000 0.963 196 D CA 0.983 54.826 54.000 -0.263 0.000 0.864 196 D CB -0.432 40.171 40.800 -0.329 0.000 0.936 196 D HN 0.555 nan 8.370 nan 0.000 0.505 197 W N 1.305 122.671 121.300 0.110 0.000 2.353 197 W HA -0.194 4.466 4.660 0.000 0.000 0.319 197 W C 2.715 179.323 176.519 0.148 0.000 1.207 197 W CA 0.689 58.133 57.345 0.165 0.000 1.291 197 W CB -0.556 28.975 29.460 0.117 0.000 1.159 197 W HN -0.044 nan 8.180 nan 0.000 0.478 198 Q N 1.178 121.179 119.800 0.335 0.000 2.084 198 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 198 Q C 2.186 178.250 176.000 0.107 0.000 0.978 198 Q CA 2.015 57.935 55.803 0.194 0.000 0.844 198 Q CB -0.548 28.280 28.738 0.150 0.000 0.898 198 Q HN 0.219 nan 8.270 nan 0.000 0.426 199 R N -1.211 119.320 120.500 0.052 0.000 2.113 199 R HA -0.214 4.126 4.340 0.000 0.000 0.244 199 R C 1.404 177.530 176.300 -0.291 0.000 1.142 199 R CA 2.039 58.048 56.100 -0.152 0.000 0.953 199 R CB -0.346 29.789 30.300 -0.274 0.000 0.860 199 R HN 0.472 nan 8.270 nan 0.000 0.438 200 Y N -1.119 119.254 120.300 0.121 0.000 2.482 200 Y HA 0.247 4.797 4.550 0.000 0.000 0.270 200 Y C 1.992 177.920 175.900 0.047 0.000 1.152 200 Y CA 0.254 58.438 58.100 0.141 0.000 1.292 200 Y CB 0.375 38.977 38.460 0.238 0.000 1.070 200 Y HN 0.207 nan 8.280 nan 0.000 0.528 201 A N -0.308 122.592 122.820 0.134 0.000 2.014 201 A HA -0.078 4.242 4.320 0.000 0.000 0.218 201 A C 1.891 179.472 177.584 -0.006 0.000 1.163 201 A CA 0.973 53.008 52.037 -0.002 0.000 0.652 201 A CB -0.497 18.546 19.000 0.072 0.000 0.808 201 A HN 0.338 nan 8.150 nan 0.000 0.449 202 L N -0.026 121.211 121.223 0.024 0.000 2.291 202 L HA -0.007 4.333 4.340 0.000 0.000 0.214 202 L C 2.320 179.206 176.870 0.026 0.000 1.120 202 L CA 1.855 56.703 54.840 0.014 0.000 0.799 202 L CB -0.759 41.300 42.059 0.000 0.000 0.925 202 L HN 0.342 nan 8.230 nan 0.000 0.446 203 S N -1.864 113.873 115.700 0.062 0.000 2.421 203 S HA -0.015 4.455 4.470 0.000 0.000 0.224 203 S C 1.974 176.625 174.600 0.085 0.000 1.035 203 S CA 0.681 58.950 58.200 0.116 0.000 0.953 203 S CB 0.066 63.423 63.200 0.261 0.000 0.810 203 S HN 0.206 nan 8.310 nan 0.000 0.497 204 V N 1.584 121.501 119.914 0.004 0.000 2.358 204 V HA 0.007 4.128 4.120 0.000 0.000 0.246 204 V C 0.765 176.817 176.094 -0.069 0.000 1.047 204 V CA 1.013 63.245 62.300 -0.113 0.000 1.035 204 V CB -0.349 31.195 31.823 -0.465 0.000 0.658 204 V HN 0.282 nan 8.190 nan 0.000 0.452 205 V N 3.383 123.264 119.914 -0.055 0.000 2.257 205 V HA 0.310 4.430 4.120 0.000 0.000 0.269 205 V C -2.050 174.044 176.094 -0.000 0.000 1.040 205 V CA -1.728 60.562 62.300 -0.017 0.000 0.813 205 V CB 0.772 32.591 31.823 -0.007 0.000 1.065 205 V HN 0.319 nan 8.190 nan 0.000 0.457 206 P HA 0.126 nan 4.420 nan 0.000 0.272 206 P C -0.147 177.140 177.300 -0.021 0.000 1.254 206 P CA -0.453 62.641 63.100 -0.010 0.000 0.795 206 P CB 0.792 32.477 31.700 -0.024 0.000 1.022 207 R N -0.218 120.258 120.500 -0.041 0.000 2.679 207 R HA 0.241 4.581 4.340 0.000 0.000 0.268 207 R C 1.028 177.286 176.300 -0.070 0.000 1.044 207 R CA 0.226 56.294 56.100 -0.053 0.000 1.105 207 R CB -0.658 29.606 30.300 -0.060 0.000 0.989 207 R HN 0.623 nan 8.270 nan 0.000 0.447 208 G N 1.044 109.805 108.800 -0.064 0.000 2.527 208 G HA2 -0.003 3.957 3.960 0.000 0.000 0.248 208 G HA3 -0.003 3.957 3.960 0.000 0.000 0.248 208 G C 0.834 175.678 174.900 -0.094 0.000 1.231 208 G CA -0.381 44.678 45.100 -0.068 0.000 0.838 208 G HN 0.636 nan 8.290 nan 0.000 0.570 209 K N -0.237 120.113 120.400 -0.083 0.000 2.057 209 K HA -0.057 4.263 4.320 0.000 0.000 0.206 209 K C 1.421 177.968 176.600 -0.088 0.000 1.050 209 K CA 1.561 57.795 56.287 -0.087 0.000 0.935 209 K CB -0.141 32.322 32.500 -0.060 0.000 0.715 209 K HN 0.627 nan 8.250 nan 0.000 0.439 210 T N -2.024 112.463 114.554 -0.112 0.000 2.950 210 T HA 0.185 4.535 4.350 0.000 0.000 0.288 210 T C 0.481 175.071 174.700 -0.183 0.000 1.035 210 T CA -0.935 61.086 62.100 -0.133 0.000 1.028 210 T CB 1.510 70.292 68.868 -0.144 0.000 1.109 210 T HN -0.049 nan 8.240 nan 0.000 0.514 211 D N 0.297 120.596 120.400 -0.169 0.000 2.133 211 D HA -0.139 4.501 4.640 0.000 0.000 0.195 211 D C 1.683 177.806 176.300 -0.296 0.000 0.997 211 D CA 1.481 55.370 54.000 -0.185 0.000 0.840 211 D CB -0.017 40.699 40.800 -0.139 0.000 0.947 211 D HN 0.857 nan 8.370 nan 0.000 0.452 212 E N 0.253 120.222 120.200 -0.385 0.000 2.106 212 E HA -0.111 4.239 4.350 0.000 0.000 0.192 212 E C 1.980 177.904 176.600 -1.127 0.000 0.984 212 E CA 0.813 56.816 56.400 -0.661 0.000 0.806 212 E CB 0.061 29.392 29.700 -0.615 0.000 0.750 212 E HN 0.161 nan 8.360 nan 0.000 0.458 213 A N 0.968 123.289 122.820 -0.831 0.000 1.969 213 A HA -0.201 4.119 4.320 0.000 0.000 0.218 213 A C 1.985 179.409 177.584 -0.267 0.000 1.169 213 A CA 1.708 53.401 52.037 -0.573 0.000 0.635 213 A CB -0.407 18.474 19.000 -0.197 0.000 0.810 213 A HN 0.259 nan 8.150 nan 0.000 0.445 214 E N 0.197 120.237 120.200 -0.267 0.000 2.152 214 E HA -0.147 4.203 4.350 0.000 0.000 0.192 214 E C 1.807 178.284 176.600 -0.204 0.000 0.983 214 E CA 1.440 57.739 56.400 -0.167 0.000 0.818 214 E CB -0.184 29.428 29.700 -0.146 0.000 0.758 214 E HN 0.550 nan 8.360 nan 0.000 0.467 215 E N -0.343 119.656 120.200 -0.334 0.000 2.072 215 E HA -0.148 4.202 4.350 0.000 0.000 0.191 215 E C 1.495 177.875 176.600 -0.367 0.000 0.985 215 E CA 1.580 57.739 56.400 -0.402 0.000 0.801 215 E CB -0.455 29.006 29.700 -0.400 0.000 0.750 215 E HN 0.353 nan 8.360 nan 0.000 0.452 216 W N 0.784 122.005 121.300 -0.131 0.000 2.355 216 W HA -0.009 4.652 4.660 0.000 0.000 0.309 216 W C 2.447 178.982 176.519 0.026 0.000 1.206 216 W CA 1.109 58.477 57.345 0.040 0.000 1.284 216 W CB -1.518 28.002 29.460 0.101 0.000 1.145 216 W HN 0.258 nan 8.180 nan 0.000 0.502 217 A N 1.092 124.040 122.820 0.214 0.000 1.892 217 A HA -0.303 4.017 4.320 0.000 0.000 0.218 217 A C 2.277 179.908 177.584 0.078 0.000 1.188 217 A CA 3.546 55.658 52.037 0.126 0.000 0.631 217 A CB -1.366 17.666 19.000 0.054 0.000 0.822 217 A HN 0.317 nan 8.150 nan 0.000 0.447 218 S N -1.240 114.446 115.700 -0.024 0.000 2.383 218 S HA -0.235 4.235 4.470 0.000 0.000 0.229 218 S C 1.930 176.586 174.600 0.094 0.000 1.030 218 S CA 1.519 59.697 58.200 -0.037 0.000 1.002 218 S CB -0.987 62.114 63.200 -0.165 0.000 0.829 218 S HN 0.672 nan 8.310 nan 0.000 0.467 219 Y N 1.947 122.361 120.300 0.190 0.000 2.181 219 Y HA 0.015 4.565 4.550 0.000 0.000 0.288 219 Y C 3.074 179.134 175.900 0.267 0.000 1.146 219 Y CA 0.319 58.588 58.100 0.281 0.000 1.164 219 Y CB -0.816 37.852 38.460 0.347 0.000 0.982 219 Y HN 0.475 nan 8.280 nan 0.000 0.515 220 G N 0.292 109.292 108.800 0.333 0.000 2.418 220 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 220 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 220 G C 1.637 176.626 174.900 0.149 0.000 1.158 220 G CA 0.647 45.866 45.100 0.198 0.000 0.771 220 G HN 0.301 nan 8.290 nan 0.000 0.545 221 R N -0.519 120.060 120.500 0.133 0.000 2.092 221 R HA 0.032 4.372 4.340 0.000 0.000 0.231 221 R C 2.441 178.813 176.300 0.120 0.000 1.119 221 R CA 0.972 57.127 56.100 0.092 0.000 0.970 221 R CB -0.534 29.806 30.300 0.067 0.000 0.864 221 R HN 0.393 nan 8.270 nan 0.000 0.440 222 L N 1.268 122.594 121.223 0.172 0.000 1.994 222 L HA -0.154 4.186 4.340 0.000 0.000 0.208 222 L C 2.094 179.079 176.870 0.193 0.000 1.071 222 L CA 1.584 56.519 54.840 0.159 0.000 0.745 222 L CB -0.714 41.444 42.059 0.165 0.000 0.892 222 L HN 0.104 nan 8.230 nan 0.000 0.431 223 L N -0.880 120.523 121.223 0.300 0.000 2.046 223 L HA -0.161 4.179 4.340 0.000 0.000 0.208 223 L C 2.331 179.262 176.870 0.102 0.000 1.077 223 L CA 1.985 56.956 54.840 0.218 0.000 0.747 223 L CB -0.947 41.159 42.059 0.077 0.000 0.896 223 L HN 0.445 nan 8.230 nan 0.000 0.432 224 L N 0.321 121.595 121.223 0.085 0.000 1.994 224 L HA -0.192 4.148 4.340 0.000 0.000 0.208 224 L C 2.857 179.772 176.870 0.075 0.000 1.071 224 L CA 2.348 57.222 54.840 0.057 0.000 0.745 224 L CB -0.841 41.215 42.059 -0.006 0.000 0.892 224 L HN 0.528 nan 8.230 nan 0.000 0.431 225 R N -1.166 119.381 120.500 0.077 0.000 2.096 225 R HA -0.114 4.226 4.340 0.000 0.000 0.235 225 R C 1.812 178.027 176.300 -0.142 0.000 1.127 225 R CA 1.465 57.604 56.100 0.066 0.000 0.968 225 R CB -0.752 29.630 30.300 0.136 0.000 0.861 225 R HN 0.348 nan 8.270 nan 0.000 0.440 226 E N 0.690 120.834 120.200 -0.094 0.000 2.072 226 E HA -0.067 4.283 4.350 0.000 0.000 0.190 226 E C 2.037 178.523 176.600 -0.190 0.000 0.982 226 E CA 1.700 57.996 56.400 -0.172 0.000 0.803 226 E CB -0.315 29.319 29.700 -0.110 0.000 0.755 226 E HN 0.410 nan 8.360 nan 0.000 0.453 227 T N 1.306 115.822 114.554 -0.062 0.000 2.777 227 T HA -0.078 4.272 4.350 0.000 0.000 0.266 227 T C 1.939 176.713 174.700 0.123 0.000 1.040 227 T CA 1.455 63.596 62.100 0.068 0.000 1.141 227 T CB -0.158 68.817 68.868 0.177 0.000 0.868 227 T HN 0.246 nan 8.240 nan 0.000 0.444 228 A N 1.394 124.255 122.820 0.068 0.000 1.930 228 A HA -0.038 4.282 4.320 0.000 0.000 0.217 228 A C 2.238 179.709 177.584 -0.189 0.000 1.175 228 A CA 1.526 53.655 52.037 0.154 0.000 0.627 228 A CB -0.456 18.669 19.000 0.210 0.000 0.815 228 A HN 0.409 nan 8.150 nan 0.000 0.443 229 K N -0.129 119.827 120.400 -0.740 0.000 2.026 229 K HA -0.195 4.125 4.320 0.000 0.000 0.208 229 K C 2.204 178.598 176.600 -0.343 0.000 1.048 229 K CA 1.851 57.532 56.287 -1.011 0.000 0.929 229 K CB -0.167 31.730 32.500 -1.006 0.000 0.713 229 K HN 0.469 nan 8.250 nan 0.000 0.439 230 K N 0.763 121.023 120.400 -0.233 0.000 2.025 230 K HA -0.105 4.215 4.320 0.000 0.000 0.207 230 K C 2.185 178.820 176.600 0.059 0.000 1.049 230 K CA 1.040 57.242 56.287 -0.141 0.000 0.933 230 K CB -0.077 32.207 32.500 -0.360 0.000 0.714 230 K HN 0.102 nan 8.250 nan 0.000 0.438 231 L N 0.592 121.937 121.223 0.204 0.000 2.043 231 L HA -0.227 4.113 4.340 0.000 0.000 0.212 231 L C 2.637 179.574 176.870 0.111 0.000 1.075 231 L CA 1.455 56.438 54.840 0.239 0.000 0.752 231 L CB -0.596 41.644 42.059 0.301 0.000 0.891 231 L HN 0.342 nan 8.230 nan 0.000 0.432 232 A N -0.402 122.500 122.820 0.135 0.000 1.902 232 A HA -0.189 4.131 4.320 0.000 0.000 0.217 232 A C 2.288 179.924 177.584 0.085 0.000 1.181 232 A CA 1.255 53.363 52.037 0.118 0.000 0.623 232 A CB -0.641 18.602 19.000 0.404 0.000 0.818 232 A HN 0.347 nan 8.150 nan 0.000 0.443 233 L N 0.332 121.597 121.223 0.071 0.000 1.989 233 L HA -0.170 4.170 4.340 0.000 0.000 0.211 233 L C 2.370 179.262 176.870 0.036 0.000 1.071 233 L CA 2.431 57.297 54.840 0.043 0.000 0.749 233 L CB -0.505 41.552 42.059 -0.003 0.000 0.890 233 L HN 0.700 nan 8.230 nan 0.000 0.431 234 I N -2.613 117.985 120.570 0.047 0.000 3.528 234 I HA 0.128 4.298 4.170 0.000 0.000 0.298 234 I C 1.175 177.317 176.117 0.041 0.000 1.281 234 I CA 0.736 62.067 61.300 0.053 0.000 1.269 234 I CB -0.872 37.183 38.000 0.093 0.000 1.013 234 I HN 0.430 nan 8.210 nan 0.000 0.512 235 G N 2.216 111.030 108.800 0.024 0.000 2.143 235 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 235 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 235 G C 0.391 175.276 174.900 -0.026 0.000 0.991 235 G CA 0.442 45.541 45.100 -0.002 0.000 0.689 235 G HN 0.785 nan 8.290 nan 0.000 0.522 236 T N -1.558 112.980 114.554 -0.026 0.000 3.514 236 T HA 0.602 4.952 4.350 0.000 0.000 0.259 236 T C -2.002 172.611 174.700 -0.145 0.000 1.466 236 T CA -1.087 60.981 62.100 -0.053 0.000 1.562 236 T CB 1.989 70.865 68.868 0.014 0.000 0.924 236 T HN 0.178 nan 8.240 nan 0.000 0.678 237 P HA 0.181 nan 4.420 nan 0.000 0.235 237 P C -0.182 176.633 177.300 -0.809 0.000 1.765 237 P CA 0.127 62.660 63.100 -0.945 0.000 1.034 237 P CB -0.212 30.863 31.700 -1.041 0.000 1.984 238 S N 2.341 117.865 115.700 -0.294 0.000 2.437 238 S HA 0.337 4.807 4.470 0.000 0.000 0.305 238 S C 1.367 176.097 174.600 0.217 0.000 1.109 238 S CA -0.712 57.467 58.200 -0.035 0.000 1.099 238 S CB 0.576 63.781 63.200 0.009 0.000 1.004 238 S HN -0.048 nan 8.310 nan 0.000 0.475 239 M N 3.945 123.713 119.600 0.281 0.000 2.229 239 M HA 0.024 4.504 4.480 0.000 0.000 0.264 239 M C 1.986 178.465 176.300 0.298 0.000 1.063 239 M CA 1.305 56.828 55.300 0.371 0.000 1.114 239 M CB -1.176 31.610 32.600 0.310 0.000 1.387 239 M HN 0.729 nan 8.290 nan 0.000 0.420 240 R N 0.050 120.672 120.500 0.204 0.000 2.073 240 R HA -0.123 4.217 4.340 0.000 0.000 0.234 240 R C 2.186 178.621 176.300 0.226 0.000 1.134 240 R CA 1.173 57.384 56.100 0.185 0.000 0.952 240 R CB 0.039 30.394 30.300 0.093 0.000 0.850 240 R HN 0.242 nan 8.270 nan 0.000 0.433 241 E N 0.455 120.762 120.200 0.179 0.000 2.077 241 E HA -0.195 4.155 4.350 0.000 0.000 0.193 241 E C 1.927 178.691 176.600 0.274 0.000 0.989 241 E CA 0.874 57.376 56.400 0.170 0.000 0.800 241 E CB -0.280 29.512 29.700 0.152 0.000 0.746 241 E HN 0.159 nan 8.360 nan 0.000 0.452 242 L N 0.330 121.757 121.223 0.341 0.000 2.012 242 L HA -0.159 4.181 4.340 0.000 0.000 0.210 242 L C 2.274 179.325 176.870 0.301 0.000 1.073 242 L CA 1.630 56.692 54.840 0.370 0.000 0.748 242 L CB -0.820 41.504 42.059 0.442 0.000 0.891 242 L HN 0.086 nan 8.230 nan 0.000 0.431 243 F N -0.691 119.358 119.950 0.165 0.000 2.171 243 F HA -0.239 4.288 4.527 0.000 0.000 0.300 243 F C 2.600 178.441 175.800 0.069 0.000 1.090 243 F CA 1.849 59.914 58.000 0.109 0.000 1.293 243 F CB -0.279 38.785 39.000 0.107 0.000 1.013 243 F HN 0.464 nan 8.300 nan 0.000 0.486 244 H N -1.166 117.914 119.070 0.016 0.000 2.293 244 H HA -0.220 4.336 4.556 0.000 0.000 0.300 244 H C 2.103 177.287 175.328 -0.239 0.000 1.082 244 H CA 2.445 58.380 56.048 -0.189 0.000 1.308 244 H CB -1.138 28.471 29.762 -0.254 0.000 1.375 244 H HN 0.419 nan 8.280 nan 0.000 0.495 245 W N 0.610 121.590 121.300 -0.534 0.000 2.338 245 W HA -0.193 4.467 4.660 0.000 0.000 0.304 245 W C 2.744 179.043 176.519 -0.367 0.000 1.212 245 W CA 1.896 58.924 57.345 -0.529 0.000 1.264 245 W CB -0.321 28.918 29.460 -0.369 0.000 1.142 245 W HN 0.449 nan 8.180 nan 0.000 0.512 246 T N -4.299 110.236 114.554 -0.032 0.000 3.055 246 T HA -0.049 4.301 4.350 0.000 0.000 0.265 246 T C 1.311 175.856 174.700 -0.258 0.000 1.111 246 T CA 1.470 63.501 62.100 -0.116 0.000 1.118 246 T CB -0.366 68.469 68.868 -0.055 0.000 0.909 246 T HN 0.187 nan 8.240 nan 0.000 0.501 247 T N -2.273 112.032 114.554 -0.414 0.000 3.046 247 T HA 0.411 4.762 4.350 0.000 0.000 0.270 247 T C 1.302 175.774 174.700 -0.381 0.000 0.920 247 T CA -0.412 61.413 62.100 -0.457 0.000 0.874 247 T CB 0.160 68.616 68.868 -0.686 0.000 1.214 247 T HN 0.234 nan 8.240 nan 0.000 0.536 248 I N 1.649 121.994 120.570 -0.374 0.000 3.443 248 I HA 0.484 4.654 4.170 0.000 0.000 0.277 248 I C 1.655 177.649 176.117 -0.206 0.000 1.169 248 I CA 0.036 61.207 61.300 -0.216 0.000 1.419 248 I CB -1.248 36.728 38.000 -0.040 0.000 1.331 248 I HN 0.328 nan 8.210 nan 0.000 0.458 249 A N 2.566 125.125 122.820 -0.436 0.000 2.587 249 A HA 0.169 4.489 4.320 0.000 0.000 0.233 249 A C 0.942 178.480 177.584 -0.077 0.000 1.049 249 A CA 0.493 52.346 52.037 -0.308 0.000 0.754 249 A CB -0.548 18.229 19.000 -0.372 0.000 0.977 249 A HN 0.549 nan 8.150 nan 0.000 0.509 250 T N 0.279 114.835 114.554 0.003 0.000 2.903 250 T HA 0.179 4.529 4.350 0.000 0.000 0.314 250 T C 0.875 175.650 174.700 0.126 0.000 1.078 250 T CA 0.227 62.365 62.100 0.064 0.000 1.114 250 T CB 0.072 68.979 68.868 0.066 0.000 0.987 250 T HN 0.452 nan 8.240 nan 0.000 0.548 251 F N 1.823 121.738 119.950 -0.057 0.000 2.063 251 F HA -0.179 4.348 4.527 0.000 0.000 0.298 251 F C 1.952 177.740 175.800 -0.020 0.000 1.105 251 F CA 2.454 60.416 58.000 -0.063 0.000 1.215 251 F CB -0.657 38.298 39.000 -0.076 0.000 0.972 251 F HN 0.674 nan 8.300 nan 0.000 0.483 252 D N -0.232 120.267 120.400 0.166 0.000 2.097 252 D HA -0.169 4.471 4.640 0.000 0.000 0.195 252 D C 2.000 178.346 176.300 0.077 0.000 0.989 252 D CA 1.570 55.625 54.000 0.092 0.000 0.827 252 D CB -0.665 40.191 40.800 0.095 0.000 0.966 252 D HN 0.283 nan 8.370 nan 0.000 0.456 253 D N 0.426 120.904 120.400 0.130 0.000 2.104 253 D HA -0.136 4.504 4.640 0.000 0.000 0.194 253 D C 2.258 178.712 176.300 0.257 0.000 0.994 253 D CA 0.356 54.497 54.000 0.236 0.000 0.830 253 D CB -0.336 40.642 40.800 0.297 0.000 0.959 253 D HN 0.189 nan 8.370 nan 0.000 0.452 254 L N 0.838 122.165 121.223 0.173 0.000 1.989 254 L HA -0.197 4.143 4.340 0.000 0.000 0.211 254 L C 2.658 179.474 176.870 -0.090 0.000 1.071 254 L CA 1.324 56.197 54.840 0.055 0.000 0.749 254 L CB -0.069 41.940 42.059 -0.085 0.000 0.890 254 L HN -0.037 nan 8.230 nan 0.000 0.431 255 R N -0.370 120.050 120.500 -0.134 0.000 2.103 255 R HA -0.188 4.152 4.340 0.000 0.000 0.242 255 R C 2.101 178.343 176.300 -0.098 0.000 1.142 255 R CA 1.453 57.475 56.100 -0.131 0.000 0.960 255 R CB -0.952 29.283 30.300 -0.108 0.000 0.858 255 R HN 0.565 nan 8.270 nan 0.000 0.439 256 G N 0.650 109.422 108.800 -0.048 0.000 2.433 256 G HA2 -0.302 3.658 3.960 0.000 0.000 0.216 256 G HA3 -0.302 3.658 3.960 0.000 0.000 0.216 256 G C 1.233 176.067 174.900 -0.111 0.000 1.186 256 G CA 0.464 45.541 45.100 -0.038 0.000 0.779 256 G HN 0.304 nan 8.290 nan 0.000 0.543 257 F N 1.251 120.973 119.950 -0.379 0.000 2.250 257 F HA 0.070 4.597 4.527 0.000 0.000 0.301 257 F C 2.267 177.799 175.800 -0.445 0.000 1.077 257 F CA 0.826 58.445 58.000 -0.635 0.000 1.348 257 F CB -0.093 37.991 39.000 -1.526 0.000 1.040 257 F HN 0.048 nan 8.300 nan 0.000 0.509 258 L N -0.158 120.793 121.223 -0.453 0.000 2.240 258 L HA -0.063 4.277 4.340 0.000 0.000 0.211 258 L C 0.777 177.443 176.870 -0.340 0.000 1.106 258 L CA 0.313 54.899 54.840 -0.424 0.000 0.793 258 L CB -0.694 41.241 42.059 -0.206 0.000 0.927 258 L HN -0.040 nan 8.230 nan 0.000 0.446 259 E N 0.502 120.547 120.200 -0.258 0.000 2.694 259 E HA 0.013 4.363 4.350 0.000 0.000 0.250 259 E C 1.026 177.494 176.600 -0.219 0.000 0.963 259 E CA 0.697 56.985 56.400 -0.187 0.000 0.949 259 E CB 0.158 29.778 29.700 -0.133 0.000 0.911 259 E HN 0.404 nan 8.360 nan 0.000 0.500 260 G N 2.817 111.511 108.800 -0.175 0.000 2.238 260 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 260 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 260 G C 0.464 175.255 174.900 -0.181 0.000 0.996 260 G CA 0.116 45.115 45.100 -0.168 0.000 0.632 260 G HN 0.676 nan 8.290 nan 0.000 0.503 261 T N -0.836 113.587 114.554 -0.217 0.000 2.936 261 T HA 0.702 5.052 4.350 0.000 0.000 0.282 261 T C 1.655 176.262 174.700 -0.153 0.000 1.003 261 T CA -0.191 61.786 62.100 -0.205 0.000 1.005 261 T CB 1.618 70.329 68.868 -0.262 0.000 1.097 261 T HN 0.260 nan 8.240 nan 0.000 0.532 262 L N 0.458 121.601 121.223 -0.134 0.000 2.265 262 L HA 0.028 4.368 4.340 0.000 0.000 0.215 262 L C 2.780 179.569 176.870 -0.135 0.000 1.117 262 L CA 1.242 56.013 54.840 -0.114 0.000 0.782 262 L CB -0.716 41.287 42.059 -0.094 0.000 0.914 262 L HN 0.915 nan 8.230 nan 0.000 0.441 263 A N -0.732 122.007 122.820 -0.135 0.000 2.238 263 A HA -0.086 4.235 4.320 0.000 0.000 0.208 263 A C 2.102 179.629 177.584 -0.095 0.000 1.177 263 A CA 0.362 52.316 52.037 -0.138 0.000 0.804 263 A CB -0.292 18.704 19.000 -0.006 0.000 0.823 263 A HN 0.441 nan 8.150 nan 0.000 0.482 264 E N 0.274 120.407 120.200 -0.113 0.000 2.021 264 E HA -0.197 4.153 4.350 0.000 0.000 0.200 264 E C 1.768 178.325 176.600 -0.072 0.000 1.015 264 E CA 1.920 58.261 56.400 -0.097 0.000 0.824 264 E CB -0.090 29.546 29.700 -0.107 0.000 0.762 264 E HN 0.518 nan 8.360 nan 0.000 0.454 265 S N 0.074 115.723 115.700 -0.085 0.000 2.458 265 S HA 0.084 4.554 4.470 0.000 0.000 0.223 265 S C 1.918 176.460 174.600 -0.097 0.000 1.019 265 S CA 0.031 58.188 58.200 -0.071 0.000 0.937 265 S CB -0.013 63.148 63.200 -0.064 0.000 0.788 265 S HN 0.240 nan 8.310 nan 0.000 0.511 266 L N 0.112 121.228 121.223 -0.178 0.000 2.081 266 L HA -0.089 4.251 4.340 0.000 0.000 0.212 266 L C 0.948 177.628 176.870 -0.318 0.000 1.080 266 L CA 1.444 56.103 54.840 -0.301 0.000 0.754 266 L CB -0.434 41.334 42.059 -0.484 0.000 0.893 266 L HN 0.323 nan 8.230 nan 0.000 0.433 267 F N -0.232 119.653 119.950 -0.108 0.000 2.798 267 F HA 0.447 4.974 4.527 0.000 0.000 0.291 267 F C 0.575 176.310 175.800 -0.108 0.000 1.174 267 F CA -0.584 57.335 58.000 -0.135 0.000 1.392 267 F CB 0.233 39.123 39.000 -0.183 0.000 0.966 267 F HN -0.024 nan 8.300 nan 0.000 0.509 268 A N -0.897 121.965 122.820 0.071 0.000 2.612 268 A HA 0.651 4.971 4.320 0.000 0.000 0.293 268 A C 0.490 178.088 177.584 0.024 0.000 1.075 268 A CA -0.015 52.050 52.037 0.047 0.000 0.680 268 A CB 0.984 19.999 19.000 0.025 0.000 1.279 268 A HN 0.471 nan 8.150 nan 0.000 0.411 269 G N -0.592 108.225 108.800 0.029 0.000 2.184 269 G HA2 0.307 4.267 3.960 0.000 0.000 0.206 269 G HA3 0.307 4.267 3.960 0.000 0.000 0.206 269 G C 0.304 175.217 174.900 0.022 0.000 0.995 269 G CA 0.762 45.873 45.100 0.018 0.000 0.651 269 G HN 2.736 nan 8.290 nan 0.000 0.511 270 S N -1.649 114.071 115.700 0.033 0.000 2.615 270 S HA 0.563 5.033 4.470 0.000 0.000 0.268 270 S C 0.484 175.111 174.600 0.044 0.000 1.146 270 S CA 0.183 58.402 58.200 0.032 0.000 0.818 270 S CB 0.744 63.960 63.200 0.026 0.000 1.111 270 S HN -0.010 nan 8.310 nan 0.000 0.465 271 N N 1.015 119.738 118.700 0.039 0.000 2.120 271 N HA -0.089 4.651 4.740 0.000 0.000 0.188 271 N C 1.510 177.052 175.510 0.053 0.000 1.024 271 N CA 1.762 54.838 53.050 0.043 0.000 0.852 271 N CB -0.663 37.843 38.487 0.032 0.000 1.003 271 N HN 0.798 nan 8.380 nan 0.000 0.424 272 E N 1.349 121.578 120.200 0.050 0.000 2.049 272 E HA -0.121 4.229 4.350 0.000 0.000 0.198 272 E C 1.802 178.428 176.600 0.042 0.000 1.007 272 E CA 1.631 58.063 56.400 0.054 0.000 0.809 272 E CB -0.502 29.229 29.700 0.052 0.000 0.749 272 E HN 0.308 nan 8.360 nan 0.000 0.450 273 A N -0.168 122.677 122.820 0.042 0.000 1.892 273 A HA -0.230 4.090 4.320 0.000 0.000 0.218 273 A C 2.494 180.150 177.584 0.120 0.000 1.188 273 A CA 2.286 54.359 52.037 0.059 0.000 0.631 273 A CB -0.953 18.081 19.000 0.057 0.000 0.822 273 A HN 0.316 nan 8.150 nan 0.000 0.447 274 S N -0.775 115.004 115.700 0.130 0.000 2.382 274 S HA -0.144 4.326 4.470 0.000 0.000 0.228 274 S C 2.001 176.708 174.600 0.179 0.000 1.027 274 S CA 1.499 59.830 58.200 0.219 0.000 0.991 274 S CB -0.227 63.096 63.200 0.206 0.000 0.823 274 S HN 0.673 nan 8.310 nan 0.000 0.469 275 K N 1.487 121.945 120.400 0.097 0.000 2.026 275 K HA -0.086 4.234 4.320 0.000 0.000 0.208 275 K C 2.265 178.904 176.600 0.066 0.000 1.048 275 K CA 1.231 57.566 56.287 0.080 0.000 0.929 275 K CB -0.386 32.167 32.500 0.088 0.000 0.713 275 K HN 0.285 nan 8.250 nan 0.000 0.439 276 A N 1.922 124.732 122.820 -0.016 0.000 1.883 276 A HA -0.194 4.126 4.320 0.000 0.000 0.217 276 A C 2.180 179.696 177.584 -0.113 0.000 1.186 276 A CA 1.465 53.352 52.037 -0.251 0.000 0.624 276 A CB -0.772 17.852 19.000 -0.627 0.000 0.822 276 A HN 0.440 nan 8.150 nan 0.000 0.444 277 L N -0.616 120.510 121.223 -0.161 0.000 2.042 277 L HA -0.178 4.162 4.340 0.000 0.000 0.210 277 L C 2.658 179.388 176.870 -0.233 0.000 1.076 277 L CA 2.236 56.705 54.840 -0.619 0.000 0.749 277 L CB -0.684 40.955 42.059 -0.700 0.000 0.893 277 L HN 0.423 nan 8.230 nan 0.000 0.432 278 T N -0.809 113.783 114.554 0.064 0.000 2.788 278 T HA -0.161 4.189 4.350 0.000 0.000 0.268 278 T C 2.029 176.728 174.700 -0.002 0.000 1.044 278 T CA 1.584 63.706 62.100 0.036 0.000 1.139 278 T CB -0.071 68.817 68.868 0.033 0.000 0.867 278 T HN 0.373 nan 8.240 nan 0.000 0.454 279 S N 1.402 117.141 115.700 0.066 0.000 2.348 279 S HA -0.072 4.398 4.470 0.000 0.000 0.221 279 S C 2.616 177.297 174.600 0.136 0.000 1.033 279 S CA 1.034 59.286 58.200 0.086 0.000 1.010 279 S CB -0.684 62.653 63.200 0.229 0.000 0.891 279 S HN 0.604 nan 8.310 nan 0.000 0.442 280 A N 2.546 125.439 122.820 0.120 0.000 1.892 280 A HA -0.199 4.121 4.320 0.000 0.000 0.218 280 A C 2.183 179.761 177.584 -0.010 0.000 1.188 280 A CA 1.443 53.533 52.037 0.088 0.000 0.631 280 A CB -0.567 18.417 19.000 -0.025 0.000 0.822 280 A HN 0.325 nan 8.150 nan 0.000 0.447 281 R N -1.342 119.080 120.500 -0.130 0.000 2.094 281 R HA -0.163 4.177 4.340 0.000 0.000 0.239 281 R C 2.012 178.233 176.300 -0.132 0.000 1.137 281 R CA 1.781 57.762 56.100 -0.198 0.000 0.943 281 R CB -1.110 28.999 30.300 -0.318 0.000 0.850 281 R HN 0.648 nan 8.270 nan 0.000 0.433 282 F N 0.744 120.653 119.950 -0.068 0.000 2.065 282 F HA -0.274 4.253 4.527 0.000 0.000 0.298 282 F C 2.719 178.503 175.800 -0.027 0.000 1.112 282 F CA 1.259 59.217 58.000 -0.071 0.000 1.212 282 F CB -0.577 38.336 39.000 -0.145 0.000 0.975 282 F HN -0.205 nan 8.300 nan 0.000 0.476 283 V N -0.018 120.014 119.914 0.196 0.000 2.231 283 V HA -0.335 3.785 4.120 0.000 0.000 0.248 283 V C 2.238 178.402 176.094 0.116 0.000 1.054 283 V CA 1.632 64.025 62.300 0.154 0.000 1.015 283 V CB -0.724 31.201 31.823 0.171 0.000 0.638 283 V HN 0.213 nan 8.190 nan 0.000 0.444 284 L N 0.975 122.247 121.223 0.082 0.000 2.131 284 L HA -0.124 4.216 4.340 0.000 0.000 0.210 284 L C 2.710 179.653 176.870 0.123 0.000 1.092 284 L CA 2.322 57.203 54.840 0.069 0.000 0.759 284 L CB -1.403 40.671 42.059 0.024 0.000 0.903 284 L HN 0.614 nan 8.230 nan 0.000 0.435 285 S N -1.830 113.932 115.700 0.103 0.000 2.447 285 S HA -0.135 4.335 4.470 0.000 0.000 0.233 285 S C 1.588 176.321 174.600 0.221 0.000 1.006 285 S CA 1.085 59.386 58.200 0.168 0.000 0.957 285 S CB -0.196 63.058 63.200 0.089 0.000 0.773 285 S HN 0.422 nan 8.310 nan 0.000 0.507 286 D N 1.075 121.577 120.400 0.169 0.000 2.216 286 D HA 0.101 4.741 4.640 0.000 0.000 0.208 286 D C 1.961 178.334 176.300 0.123 0.000 0.960 286 D CA 0.752 54.833 54.000 0.136 0.000 0.861 286 D CB 0.053 40.918 40.800 0.108 0.000 0.985 286 D HN 0.312 nan 8.370 nan 0.000 0.493 287 K N 0.770 121.242 120.400 0.121 0.000 2.044 287 K HA 0.111 4.431 4.320 0.000 0.000 0.204 287 K C 2.450 179.156 176.600 0.176 0.000 1.045 287 K CA 0.102 56.456 56.287 0.112 0.000 0.951 287 K CB -0.753 31.780 32.500 0.055 0.000 0.738 287 K HN 0.161 nan 8.250 nan 0.000 0.443 288 L N 1.302 122.625 121.223 0.167 0.000 2.043 288 L HA -0.192 4.148 4.340 0.000 0.000 0.212 288 L C -0.635 176.341 176.870 0.177 0.000 1.075 288 L CA 1.491 56.453 54.840 0.204 0.000 0.752 288 L CB -1.901 40.359 42.059 0.335 0.000 0.891 288 L HN 0.081 nan 8.230 nan 0.000 0.432 289 P HA -0.274 nan 4.420 nan 0.000 0.218 289 P C 1.312 178.581 177.300 -0.050 0.000 1.132 289 P CA 1.733 64.772 63.100 -0.102 0.000 0.968 289 P CB -0.039 31.668 31.700 0.012 0.000 0.783 290 E N -2.104 118.109 120.200 0.023 0.000 2.265 290 E HA -0.190 4.160 4.350 0.000 0.000 0.196 290 E C 2.055 178.641 176.600 -0.023 0.000 0.996 290 E CA 1.005 57.401 56.400 -0.006 0.000 0.832 290 E CB -0.811 28.859 29.700 -0.050 0.000 0.756 290 E HN 0.539 nan 8.360 nan 0.000 0.491 291 H N -0.311 118.768 119.070 0.014 0.000 2.389 291 H HA -0.023 4.533 4.556 0.000 0.000 0.299 291 H C 2.202 177.585 175.328 0.091 0.000 1.081 291 H CA 1.157 57.266 56.048 0.101 0.000 1.345 291 H CB 0.264 30.100 29.762 0.122 0.000 1.393 291 H HN 0.004 nan 8.280 nan 0.000 0.520 292 V N 0.927 120.915 119.914 0.123 0.000 2.270 292 V HA -0.197 3.923 4.120 0.000 0.000 0.245 292 V C 2.594 178.689 176.094 0.002 0.000 1.043 292 V CA 2.187 64.502 62.300 0.025 0.000 1.014 292 V CB -0.818 30.885 31.823 -0.199 0.000 0.645 292 V HN 0.569 nan 8.190 nan 0.000 0.447 293 T N -2.557 111.971 114.554 -0.042 0.000 3.227 293 T HA 0.031 4.381 4.350 0.000 0.000 0.257 293 T C 0.706 175.370 174.700 -0.060 0.000 1.162 293 T CA 0.273 62.339 62.100 -0.057 0.000 1.051 293 T CB -0.352 68.474 68.868 -0.071 0.000 0.953 293 T HN 0.113 nan 8.240 nan 0.000 0.535 294 M N 2.646 122.260 119.600 0.023 0.000 2.185 294 M HA 0.357 4.837 4.480 0.000 0.000 0.357 294 M C -2.443 173.910 176.300 0.087 0.000 1.260 294 M CA -2.526 52.823 55.300 0.082 0.000 1.124 294 M CB 0.881 33.626 32.600 0.242 0.000 1.600 294 M HN -0.041 nan 8.290 nan 0.000 0.467 295 P HA -0.031 nan 4.420 nan 0.000 0.264 295 P C -0.672 176.688 177.300 0.099 0.000 1.183 295 P CA 0.228 63.358 63.100 0.050 0.000 0.763 295 P CB 0.396 32.112 31.700 0.026 0.000 0.807 296 D N 1.210 121.654 120.400 0.073 0.000 2.362 296 D HA 0.458 5.098 4.640 0.000 0.000 0.242 296 D C 0.693 177.047 176.300 0.090 0.000 1.132 296 D CA 0.886 54.934 54.000 0.081 0.000 0.907 296 D CB 1.020 41.848 40.800 0.048 0.000 1.195 296 D HN 0.481 nan 8.370 nan 0.000 0.429 297 G N 0.330 109.191 108.800 0.102 0.000 2.349 297 G HA2 0.210 4.170 3.960 0.000 0.000 0.294 297 G HA3 0.210 4.170 3.960 0.000 0.000 0.294 297 G C -0.894 174.077 174.900 0.118 0.000 1.380 297 G CA -0.595 44.577 45.100 0.120 0.000 0.811 297 G HN 0.404 nan 8.290 nan 0.000 0.519 298 D N -1.018 119.462 120.400 0.133 0.000 2.462 298 D HA 0.197 4.837 4.640 0.000 0.000 0.221 298 D C 0.263 176.659 176.300 0.160 0.000 1.173 298 D CA -0.680 53.380 54.000 0.100 0.000 0.831 298 D CB -0.019 40.815 40.800 0.056 0.000 1.001 298 D HN 0.207 nan 8.370 nan 0.000 0.499 299 F N 1.945 121.968 119.950 0.122 0.000 2.572 299 F HA 0.294 4.821 4.527 0.000 0.000 0.370 299 F C 0.172 176.125 175.800 0.255 0.000 1.103 299 F CA 0.059 58.158 58.000 0.165 0.000 1.286 299 F CB 0.994 40.082 39.000 0.148 0.000 1.105 299 F HN -0.097 nan 8.300 nan 0.000 0.583 300 S N 6.982 122.337 115.700 -0.575 0.000 2.659 300 S HA 0.391 4.861 4.470 0.000 0.000 0.312 300 S C 0.904 175.215 174.600 -0.482 0.000 1.114 300 S CA -0.860 57.169 58.200 -0.284 0.000 1.063 300 S CB 0.547 63.659 63.200 -0.147 0.000 0.996 300 S HN 0.730 nan 8.310 nan 0.000 0.478 301 I N 4.465 124.965 120.570 -0.117 0.000 2.335 301 I HA -0.188 3.982 4.170 0.000 0.000 0.251 301 I C 2.615 178.832 176.117 0.166 0.000 1.129 301 I CA 0.997 62.328 61.300 0.053 0.000 1.402 301 I CB -0.176 37.921 38.000 0.162 0.000 1.069 301 I HN 0.651 nan 8.210 nan 0.000 0.424 302 R N 0.430 120.982 120.500 0.086 0.000 2.070 302 R HA -0.109 4.231 4.340 0.000 0.000 0.232 302 R C 2.561 178.889 176.300 0.048 0.000 1.138 302 R CA 1.823 57.975 56.100 0.087 0.000 0.936 302 R CB -0.502 29.823 30.300 0.042 0.000 0.839 302 R HN 0.256 nan 8.270 nan 0.000 0.429 303 S N 0.470 116.161 115.700 -0.015 0.000 2.359 303 S HA -0.212 4.258 4.470 0.000 0.000 0.224 303 S C 1.407 176.007 174.600 0.000 0.000 1.035 303 S CA 1.403 59.585 58.200 -0.029 0.000 1.018 303 S CB -0.453 62.706 63.200 -0.068 0.000 0.876 303 S HN 0.484 nan 8.310 nan 0.000 0.448 304 W N 2.463 123.643 121.300 -0.200 0.000 2.321 304 W HA -0.139 4.521 4.660 0.000 0.000 0.306 304 W C 1.637 178.145 176.519 -0.018 0.000 1.217 304 W CA 1.212 58.490 57.345 -0.111 0.000 1.257 304 W CB -0.531 28.851 29.460 -0.130 0.000 1.145 304 W HN 0.206 nan 8.180 nan 0.000 0.509 305 L N 0.278 121.478 121.223 -0.039 0.000 2.131 305 L HA -0.192 4.148 4.340 0.000 0.000 0.210 305 L C 2.310 179.044 176.870 -0.227 0.000 1.092 305 L CA 1.738 56.439 54.840 -0.230 0.000 0.759 305 L CB -0.803 41.269 42.059 0.022 0.000 0.903 305 L HN 0.061 nan 8.230 nan 0.000 0.435 306 E N -0.713 119.411 120.200 -0.127 0.000 2.216 306 E HA -0.137 4.213 4.350 0.000 0.000 0.192 306 E C 0.511 177.038 176.600 -0.122 0.000 0.988 306 E CA 0.222 56.563 56.400 -0.099 0.000 0.834 306 E CB 0.024 29.695 29.700 -0.049 0.000 0.772 306 E HN 0.246 nan 8.360 nan 0.000 0.479 307 D N 0.932 121.238 120.400 -0.155 0.000 2.374 307 D HA 0.026 4.666 4.640 0.000 0.000 0.240 307 D C -1.876 174.314 176.300 -0.183 0.000 1.229 307 D CA -2.340 51.581 54.000 -0.131 0.000 0.895 307 D CB 1.207 41.957 40.800 -0.084 0.000 1.046 307 D HN -0.176 nan 8.370 nan 0.000 0.498 308 P HA -0.106 nan 4.420 nan 0.000 0.215 308 P C 0.857 178.101 177.300 -0.093 0.000 1.153 308 P CA 0.797 63.826 63.100 -0.118 0.000 0.853 308 P CB 0.250 31.906 31.700 -0.072 0.000 0.788 309 N N -0.447 118.220 118.700 -0.054 0.000 2.520 309 N HA -0.033 4.707 4.740 0.000 0.000 0.185 309 N C 1.240 176.756 175.510 0.009 0.000 1.068 309 N CA 0.686 53.729 53.050 -0.012 0.000 0.911 309 N CB -0.594 37.898 38.487 0.007 0.000 0.961 309 N HN 0.152 nan 8.380 nan 0.000 0.446 310 G N -0.368 108.406 108.800 -0.044 0.000 2.614 310 G HA2 0.358 4.318 3.960 0.000 0.000 0.239 310 G HA3 0.358 4.318 3.960 0.000 0.000 0.239 310 G C 0.755 175.709 174.900 0.090 0.000 1.240 310 G CA 0.006 45.118 45.100 0.019 0.000 0.842 310 G HN 0.184 nan 8.290 nan 0.000 0.584 311 G N 0.072 109.069 108.800 0.330 0.000 2.829 311 G HA2 0.363 4.323 3.960 0.000 0.000 0.173 311 G HA3 0.363 4.323 3.960 0.000 0.000 0.173 311 G C 0.043 175.232 174.900 0.482 0.000 1.476 311 G CA -0.681 44.616 45.100 0.330 0.000 1.072 311 G HN 0.598 nan 8.290 nan 0.000 0.577 312 N N -0.380 118.608 118.700 0.479 0.000 2.430 312 N HA 0.371 5.111 4.740 0.000 0.000 0.298 312 N C -1.179 174.552 175.510 0.369 0.000 1.130 312 N CA -0.465 52.864 53.050 0.465 0.000 0.894 312 N CB 2.406 41.023 38.487 0.217 0.000 1.209 312 N HN 0.224 nan 8.380 nan 0.000 0.503 313 L N 1.850 123.141 121.223 0.113 0.000 2.272 313 L HA 0.467 4.807 4.340 0.000 0.000 0.289 313 L C -1.231 175.471 176.870 -0.281 0.000 1.032 313 L CA -0.626 54.042 54.840 -0.287 0.000 0.810 313 L CB 0.272 41.838 42.059 -0.822 0.000 1.205 313 L HN 0.378 nan 8.230 nan 0.000 0.422 314 F N 5.687 125.554 119.950 -0.139 0.000 2.375 314 F HA 0.417 4.944 4.527 0.000 0.000 0.361 314 F C 0.289 176.030 175.800 -0.097 0.000 1.117 314 F CA -0.406 57.556 58.000 -0.063 0.000 1.037 314 F CB 1.268 40.243 39.000 -0.042 0.000 1.192 314 F HN 0.237 nan 8.300 nan 0.000 0.452 315 I N 4.018 124.658 120.570 0.116 0.000 2.287 315 I HA 0.232 4.402 4.170 0.000 0.000 0.290 315 I C 0.243 176.580 176.117 0.367 0.000 1.069 315 I CA -0.243 61.151 61.300 0.158 0.000 1.237 315 I CB 0.631 38.751 38.000 0.201 0.000 1.418 315 I HN 0.585 nan 8.210 nan 0.000 0.481 316 T N 2.367 117.119 114.554 0.330 0.000 2.950 316 T HA 0.782 5.132 4.350 0.000 0.000 0.288 316 T C -1.015 173.976 174.700 0.485 0.000 1.035 316 T CA -0.654 61.617 62.100 0.285 0.000 1.028 316 T CB 2.107 71.046 68.868 0.118 0.000 1.109 316 T HN 0.666 nan 8.240 nan 0.000 0.514 317 W N -0.493 120.855 121.300 0.080 0.000 3.298 317 W HA 0.622 5.282 4.660 0.000 0.000 0.302 317 W C -1.693 174.772 176.519 -0.090 0.000 1.255 317 W CA -1.207 56.157 57.345 0.032 0.000 1.196 317 W CB 0.883 30.378 29.460 0.059 0.000 1.364 317 W HN 0.764 nan 8.180 nan 0.000 0.566 318 R N 2.262 122.688 120.500 -0.124 0.000 2.308 318 R HA 0.152 4.492 4.340 0.000 0.000 0.305 318 R C 1.023 177.286 176.300 -0.062 0.000 1.053 318 R CA -0.439 55.489 56.100 -0.287 0.000 0.957 318 R CB 1.425 31.465 30.300 -0.434 0.000 1.022 318 R HN 0.768 nan 8.270 nan 0.000 0.461 319 E N 1.560 121.682 120.200 -0.131 0.000 2.136 319 E HA -0.294 4.056 4.350 0.000 0.000 0.202 319 E C 1.186 177.828 176.600 0.070 0.000 1.019 319 E CA 2.076 58.495 56.400 0.031 0.000 0.819 319 E CB 0.051 29.729 29.700 -0.036 0.000 0.739 319 E HN 0.655 nan 8.360 nan 0.000 0.458 320 D N -0.161 120.232 120.400 -0.011 0.000 2.351 320 D HA -0.182 4.458 4.640 0.000 0.000 0.216 320 D C 1.422 177.715 176.300 -0.012 0.000 0.968 320 D CA 1.028 55.018 54.000 -0.017 0.000 0.899 320 D CB -0.152 40.617 40.800 -0.052 0.000 0.907 320 D HN 0.266 nan 8.370 nan 0.000 0.514 321 M N -0.229 119.378 119.600 0.011 0.000 2.404 321 M HA 0.303 4.784 4.480 0.000 0.000 0.271 321 M C 1.810 178.132 176.300 0.038 0.000 1.128 321 M CA 0.033 55.324 55.300 -0.015 0.000 0.982 321 M CB 1.213 33.747 32.600 -0.109 0.000 1.445 321 M HN 0.078 nan 8.290 nan 0.000 0.495 322 G N 2.853 111.729 108.800 0.126 0.000 2.553 322 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 322 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 322 G C -0.677 174.168 174.900 -0.092 0.000 1.195 322 G CA 0.826 45.949 45.100 0.038 0.000 0.779 322 G HN 0.313 nan 8.290 nan 0.000 0.577 323 P HA -0.090 nan 4.420 nan 0.000 0.218 323 P C 1.940 179.204 177.300 -0.060 0.000 1.148 323 P CA 2.032 65.103 63.100 -0.048 0.000 0.822 323 P CB -0.186 31.503 31.700 -0.019 0.000 0.784 324 A N -0.055 122.733 122.820 -0.053 0.000 1.930 324 A HA -0.053 4.267 4.320 0.000 0.000 0.217 324 A C 2.236 179.782 177.584 -0.063 0.000 1.175 324 A CA 1.085 53.097 52.037 -0.041 0.000 0.627 324 A CB -1.326 17.655 19.000 -0.033 0.000 0.815 324 A HN 0.169 nan 8.150 nan 0.000 0.443 325 L N -1.177 119.976 121.223 -0.116 0.000 2.592 325 L HA 0.141 4.481 4.340 0.000 0.000 0.227 325 L C 2.245 178.947 176.870 -0.280 0.000 1.127 325 L CA 0.011 54.745 54.840 -0.177 0.000 0.884 325 L CB -0.242 41.719 42.059 -0.163 0.000 1.065 325 L HN 0.425 nan 8.230 nan 0.000 0.457 326 R N 1.675 122.033 120.500 -0.236 0.000 2.094 326 R HA -0.158 4.183 4.340 0.000 0.000 0.239 326 R C -0.462 175.724 176.300 -0.190 0.000 1.137 326 R CA 2.011 57.973 56.100 -0.230 0.000 0.943 326 R CB -0.939 29.273 30.300 -0.146 0.000 0.850 326 R HN 0.208 nan 8.270 nan 0.000 0.433 327 P HA -0.163 nan 4.420 nan 0.000 0.223 327 P C 1.417 178.629 177.300 -0.146 0.000 1.151 327 P CA 1.141 64.189 63.100 -0.087 0.000 0.787 327 P CB -0.045 31.647 31.700 -0.013 0.000 0.788 328 L N -0.673 120.362 121.223 -0.314 0.000 2.102 328 L HA -0.009 4.331 4.340 0.000 0.000 0.202 328 L C 2.582 178.988 176.870 -0.772 0.000 1.076 328 L CA 1.046 55.481 54.840 -0.675 0.000 0.761 328 L CB -0.473 41.093 42.059 -0.821 0.000 0.921 328 L HN -0.180 nan 8.230 nan 0.000 0.444 329 I N -0.616 119.655 120.570 -0.499 0.000 2.286 329 I HA -0.277 3.893 4.170 0.000 0.000 0.248 329 I C 2.452 178.494 176.117 -0.126 0.000 1.115 329 I CA 1.092 62.244 61.300 -0.247 0.000 1.392 329 I CB -0.196 37.608 38.000 -0.326 0.000 1.065 329 I HN 0.191 nan 8.210 nan 0.000 0.418 330 S N 0.669 116.280 115.700 -0.149 0.000 2.423 330 S HA -0.096 4.374 4.470 0.000 0.000 0.231 330 S C 2.169 176.768 174.600 -0.002 0.000 1.014 330 S CA 1.179 59.348 58.200 -0.051 0.000 0.965 330 S CB -0.193 62.973 63.200 -0.057 0.000 0.785 330 S HN 0.547 nan 8.310 nan 0.000 0.495 331 A N 0.917 123.702 122.820 -0.058 0.000 1.898 331 A HA -0.020 4.300 4.320 0.000 0.000 0.214 331 A C 1.823 179.474 177.584 0.112 0.000 1.183 331 A CA 0.741 52.801 52.037 0.039 0.000 0.622 331 A CB -0.718 18.326 19.000 0.074 0.000 0.824 331 A HN 0.581 nan 8.150 nan 0.000 0.444 332 W N 0.319 121.582 121.300 -0.063 0.000 2.355 332 W HA -0.112 4.548 4.660 0.000 0.000 0.309 332 W C 2.316 178.820 176.519 -0.026 0.000 1.206 332 W CA 1.230 58.485 57.345 -0.150 0.000 1.284 332 W CB -1.281 28.017 29.460 -0.270 0.000 1.145 332 W HN 0.180 nan 8.180 nan 0.000 0.502 333 V N 0.315 120.370 119.914 0.235 0.000 2.343 333 V HA -0.303 3.817 4.120 0.000 0.000 0.247 333 V C 1.812 178.006 176.094 0.167 0.000 1.051 333 V CA 2.429 64.836 62.300 0.177 0.000 1.036 333 V CB -1.087 30.823 31.823 0.145 0.000 0.654 333 V HN 0.038 nan 8.190 nan 0.000 0.451 334 D N -0.304 120.194 120.400 0.163 0.000 2.144 334 D HA -0.139 4.501 4.640 0.000 0.000 0.200 334 D C 2.033 178.456 176.300 0.204 0.000 0.978 334 D CA 1.114 55.207 54.000 0.155 0.000 0.833 334 D CB 0.032 40.911 40.800 0.132 0.000 0.961 334 D HN 0.190 nan 8.370 nan 0.000 0.470 335 V N -0.071 120.018 119.914 0.293 0.000 2.287 335 V HA -0.242 3.878 4.120 0.000 0.000 0.248 335 V C 2.518 178.810 176.094 0.331 0.000 1.053 335 V CA 1.319 63.873 62.300 0.424 0.000 1.027 335 V CB -0.421 31.690 31.823 0.480 0.000 0.646 335 V HN 0.191 nan 8.190 nan 0.000 0.447 336 V N -1.089 118.976 119.914 0.251 0.000 2.332 336 V HA -0.309 3.811 4.120 0.000 0.000 0.248 336 V C 2.519 178.718 176.094 0.175 0.000 1.055 336 V CA 2.242 64.673 62.300 0.219 0.000 1.038 336 V CB -0.798 31.142 31.823 0.194 0.000 0.651 336 V HN 0.657 nan 8.190 nan 0.000 0.450 337 C N 0.019 119.406 119.300 0.145 0.000 2.429 337 C HA -0.148 4.312 4.460 0.000 0.000 0.277 337 C C 2.953 177.991 174.990 0.080 0.000 1.262 337 C CA 1.803 60.876 59.018 0.092 0.000 1.733 337 C CB -1.238 26.547 27.740 0.074 0.000 2.010 337 C HN 0.682 nan 8.230 nan 0.000 0.483 338 T N 0.116 114.726 114.554 0.093 0.000 2.851 338 T HA -0.085 4.265 4.350 0.000 0.000 0.262 338 T C 1.958 176.720 174.700 0.103 0.000 1.043 338 T CA 1.503 63.635 62.100 0.054 0.000 1.140 338 T CB -0.380 68.459 68.868 -0.048 0.000 0.872 338 T HN 0.492 nan 8.240 nan 0.000 0.446 339 S N 2.307 118.120 115.700 0.188 0.000 2.374 339 S HA -0.130 4.340 4.470 0.000 0.000 0.227 339 S C 2.175 176.860 174.600 0.142 0.000 1.037 339 S CA 1.568 59.899 58.200 0.218 0.000 1.024 339 S CB -0.643 62.725 63.200 0.279 0.000 0.861 339 S HN 0.738 nan 8.310 nan 0.000 0.456 340 I N -0.495 120.144 120.570 0.115 0.000 2.567 340 I HA -0.056 4.114 4.170 0.000 0.000 0.257 340 I C 1.602 177.749 176.117 0.050 0.000 1.184 340 I CA 1.171 62.514 61.300 0.072 0.000 1.451 340 I CB -0.474 37.559 38.000 0.054 0.000 1.089 340 I HN 0.061 nan 8.210 nan 0.000 0.441 341 L N 0.364 121.621 121.223 0.057 0.000 2.551 341 L HA 0.020 4.360 4.340 0.000 0.000 0.228 341 L C 2.090 178.991 176.870 0.052 0.000 1.153 341 L CA 1.265 56.130 54.840 0.041 0.000 0.851 341 L CB -0.740 41.341 42.059 0.037 0.000 0.959 341 L HN 0.298 nan 8.230 nan 0.000 0.451 342 S N -1.695 114.049 115.700 0.074 0.000 2.512 342 S HA 0.283 4.753 4.470 0.000 0.000 0.216 342 S C 0.760 175.393 174.600 0.055 0.000 1.006 342 S CA -0.463 57.786 58.200 0.082 0.000 0.915 342 S CB 0.237 63.513 63.200 0.127 0.000 0.824 342 S HN 0.124 nan 8.310 nan 0.000 0.497 343 L N 3.890 125.137 121.223 0.041 0.000 2.506 343 L HA 0.116 4.456 4.340 0.000 0.000 0.281 343 L C -1.730 175.144 176.870 0.007 0.000 1.228 343 L CA -1.109 53.742 54.840 0.017 0.000 0.850 343 L CB -0.220 41.840 42.059 0.001 0.000 1.110 343 L HN 0.115 nan 8.230 nan 0.000 0.496 344 P HA -0.008 nan 4.420 nan 0.000 0.272 344 P C -0.647 176.644 177.300 -0.015 0.000 1.230 344 P CA -0.513 62.583 63.100 -0.006 0.000 0.788 344 P CB 0.532 32.227 31.700 -0.008 0.000 0.949 345 E N 1.105 121.296 120.200 -0.015 0.000 2.406 345 E HA -0.035 4.315 4.350 0.000 0.000 0.247 345 E C -0.471 176.114 176.600 -0.026 0.000 1.160 345 E CA 0.658 57.046 56.400 -0.020 0.000 0.950 345 E CB -0.634 29.055 29.700 -0.017 0.000 0.993 345 E HN 0.259 nan 8.360 nan 0.000 0.472 346 E N 5.328 125.508 120.200 -0.032 0.000 2.502 346 E HA 0.318 4.669 4.350 0.000 0.000 0.261 346 E C -2.427 174.147 176.600 -0.045 0.000 0.974 346 E CA -2.020 54.358 56.400 -0.037 0.000 0.795 346 E CB 1.155 30.830 29.700 -0.041 0.000 1.385 346 E HN 0.247 nan 8.360 nan 0.000 0.400 347 P HA -0.110 nan 4.420 nan 0.000 0.216 347 P C 0.479 177.747 177.300 -0.053 0.000 1.150 347 P CA 1.112 64.183 63.100 -0.048 0.000 0.837 347 P CB 0.312 31.988 31.700 -0.040 0.000 0.786 348 K N -0.859 119.513 120.400 -0.046 0.000 2.504 348 K HA -0.036 4.284 4.320 0.000 0.000 0.195 348 K C 1.126 177.694 176.600 -0.053 0.000 1.036 348 K CA 0.055 56.316 56.287 -0.045 0.000 0.984 348 K CB -0.082 32.397 32.500 -0.035 0.000 0.788 348 K HN 0.127 nan 8.250 nan 0.000 0.488 349 R N 1.645 122.107 120.500 -0.063 0.000 2.590 349 R HA 0.083 4.423 4.340 0.000 0.000 0.274 349 R C -0.629 175.613 176.300 -0.096 0.000 1.061 349 R CA 0.297 56.352 56.100 -0.075 0.000 1.081 349 R CB 0.501 30.753 30.300 -0.078 0.000 0.984 349 R HN -0.025 nan 8.270 nan 0.000 0.448 350 R N 4.793 125.236 120.500 -0.095 0.000 2.539 350 R HA 0.312 4.652 4.340 0.000 0.000 0.295 350 R C -1.322 174.904 176.300 -0.123 0.000 1.138 350 R CA -0.570 55.442 56.100 -0.147 0.000 0.936 350 R CB 1.416 31.666 30.300 -0.083 0.000 1.182 350 R HN 0.458 nan 8.270 nan 0.000 0.459 351 L N 3.770 124.878 121.223 -0.193 0.000 2.343 351 L HA 0.518 4.858 4.340 0.000 0.000 0.278 351 L C -1.256 175.534 176.870 -0.133 0.000 0.996 351 L CA -0.720 54.075 54.840 -0.075 0.000 0.831 351 L CB 1.179 43.215 42.059 -0.038 0.000 1.232 351 L HN 0.574 nan 8.230 nan 0.000 0.413 352 W N 5.403 126.716 121.300 0.022 0.000 2.438 352 W HA 0.478 5.138 4.660 0.000 0.000 0.324 352 W C -0.307 176.187 176.519 -0.040 0.000 1.119 352 W CA -0.350 56.954 57.345 -0.068 0.000 1.221 352 W CB 1.292 30.706 29.460 -0.077 0.000 1.253 352 W HN 0.228 nan 8.180 nan 0.000 0.555 353 L N 4.273 125.554 121.223 0.095 0.000 2.366 353 L HA 0.423 4.764 4.340 0.000 0.000 0.266 353 L C -1.469 175.421 176.870 0.032 0.000 1.010 353 L CA -0.787 54.117 54.840 0.107 0.000 0.879 353 L CB 0.153 42.259 42.059 0.078 0.000 1.228 353 L HN 0.306 nan 8.230 nan 0.000 0.439 354 F N 5.269 125.339 119.950 0.199 0.000 2.404 354 F HA 0.385 4.912 4.527 0.000 0.000 0.358 354 F C 0.443 176.340 175.800 0.162 0.000 1.120 354 F CA -0.173 57.929 58.000 0.171 0.000 1.144 354 F CB 0.960 40.023 39.000 0.106 0.000 1.133 354 F HN 0.239 nan 8.300 nan 0.000 0.495 355 I N 4.851 125.605 120.570 0.308 0.000 2.405 355 I HA 0.110 4.280 4.170 0.000 0.000 0.280 355 I C 0.820 177.083 176.117 0.244 0.000 1.027 355 I CA -0.509 60.946 61.300 0.258 0.000 1.161 355 I CB 1.172 39.297 38.000 0.210 0.000 1.300 355 I HN 0.594 nan 8.210 nan 0.000 0.463 356 D N 4.673 125.222 120.400 0.250 0.000 2.123 356 D HA -0.232 4.408 4.640 0.000 0.000 0.196 356 D C 0.573 176.971 176.300 0.165 0.000 0.992 356 D CA 1.602 55.722 54.000 0.201 0.000 0.833 356 D CB 0.409 41.320 40.800 0.186 0.000 0.954 356 D HN 0.439 nan 8.370 nan 0.000 0.455 357 E N -0.702 119.604 120.200 0.176 0.000 2.460 357 E HA 0.211 4.561 4.350 0.000 0.000 0.249 357 E C 0.320 176.994 176.600 0.125 0.000 0.962 357 E CA -0.494 55.986 56.400 0.133 0.000 0.787 357 E CB 0.832 30.613 29.700 0.135 0.000 1.341 357 E HN 0.005 nan 8.360 nan 0.000 0.407 358 L N 3.617 124.900 121.223 0.099 0.000 2.081 358 L HA -0.053 4.287 4.340 0.000 0.000 0.212 358 L C 1.738 178.692 176.870 0.140 0.000 1.080 358 L CA 2.663 57.570 54.840 0.111 0.000 0.754 358 L CB -0.282 41.804 42.059 0.045 0.000 0.893 358 L HN 0.622 nan 8.230 nan 0.000 0.433 359 A N -2.392 120.494 122.820 0.110 0.000 2.167 359 A HA -0.030 4.290 4.320 0.000 0.000 0.214 359 A C 2.263 179.898 177.584 0.085 0.000 1.151 359 A CA 1.243 53.350 52.037 0.118 0.000 0.735 359 A CB -0.478 18.573 19.000 0.083 0.000 0.802 359 A HN 0.460 nan 8.150 nan 0.000 0.467 360 S N -0.427 115.321 115.700 0.079 0.000 2.562 360 S HA 0.252 4.722 4.470 0.000 0.000 0.221 360 S C 0.721 175.324 174.600 0.005 0.000 0.975 360 S CA 0.017 58.247 58.200 0.049 0.000 0.918 360 S CB -0.259 62.988 63.200 0.079 0.000 0.772 360 S HN 0.474 nan 8.310 nan 0.000 0.531 361 L N 0.998 122.238 121.223 0.028 0.000 2.472 361 L HA 0.397 4.737 4.340 0.000 0.000 0.256 361 L C 0.841 177.695 176.870 -0.025 0.000 1.111 361 L CA -0.779 54.058 54.840 -0.006 0.000 0.800 361 L CB 0.414 42.500 42.059 0.046 0.000 1.286 361 L HN 0.106 nan 8.230 nan 0.000 0.479 362 E N 0.002 120.169 120.200 -0.055 0.000 2.602 362 E HA 0.137 4.487 4.350 0.000 0.000 0.255 362 E C -0.639 175.836 176.600 -0.209 0.000 1.268 362 E CA -0.768 55.564 56.400 -0.113 0.000 1.007 362 E CB 0.646 30.294 29.700 -0.086 0.000 1.208 362 E HN 0.270 nan 8.360 nan 0.000 0.584 363 K N 1.841 122.033 120.400 -0.348 0.000 2.237 363 K HA 0.099 4.419 4.320 0.000 0.000 0.283 363 K C -0.467 176.023 176.600 -0.183 0.000 1.080 363 K CA -0.082 55.837 56.287 -0.614 0.000 0.965 363 K CB -0.365 31.835 32.500 -0.499 0.000 1.098 363 K HN 0.292 nan 8.250 nan 0.000 0.434 364 L N 3.810 125.057 121.223 0.040 0.000 2.410 364 L HA 0.026 4.366 4.340 0.000 0.000 0.273 364 L C 1.465 178.419 176.870 0.138 0.000 1.144 364 L CA -0.341 54.578 54.840 0.131 0.000 0.863 364 L CB 1.005 43.182 42.059 0.197 0.000 1.140 364 L HN 0.743 nan 8.230 nan 0.000 0.463 365 A N 2.313 125.178 122.820 0.075 0.000 2.066 365 A HA -0.068 4.252 4.320 0.000 0.000 0.218 365 A C 1.916 179.534 177.584 0.056 0.000 1.157 365 A CA 1.419 53.491 52.037 0.058 0.000 0.670 365 A CB -0.067 18.951 19.000 0.029 0.000 0.804 365 A HN 0.763 nan 8.150 nan 0.000 0.453 366 S N -1.151 114.586 115.700 0.062 0.000 2.578 366 S HA 0.227 4.697 4.470 0.000 0.000 0.228 366 S C 1.441 176.063 174.600 0.036 0.000 1.022 366 S CA -0.222 58.003 58.200 0.041 0.000 0.967 366 S CB -0.030 63.190 63.200 0.033 0.000 0.914 366 S HN 0.477 nan 8.310 nan 0.000 0.515 367 L N 1.951 123.210 121.223 0.061 0.000 2.013 367 L HA -0.249 4.091 4.340 0.000 0.000 0.212 367 L C 2.611 179.458 176.870 -0.038 0.000 1.073 367 L CA 1.828 56.683 54.840 0.025 0.000 0.753 367 L CB -0.652 41.453 42.059 0.076 0.000 0.890 367 L HN 0.424 nan 8.230 nan 0.000 0.432 368 A N -0.235 122.577 122.820 -0.012 0.000 1.851 368 A HA -0.291 4.029 4.320 0.000 0.000 0.216 368 A C 1.905 179.459 177.584 -0.051 0.000 1.195 368 A CA 2.163 54.177 52.037 -0.039 0.000 0.622 368 A CB -0.834 18.163 19.000 -0.004 0.000 0.831 368 A HN 0.504 nan 8.150 nan 0.000 0.444 369 D N -0.144 120.240 120.400 -0.026 0.000 2.149 369 D HA -0.081 4.559 4.640 0.000 0.000 0.198 369 D C 2.243 178.519 176.300 -0.039 0.000 0.990 369 D CA 1.467 55.452 54.000 -0.026 0.000 0.839 369 D CB -0.392 40.401 40.800 -0.012 0.000 0.948 369 D HN 0.443 nan 8.370 nan 0.000 0.460 370 A N 0.954 123.745 122.820 -0.049 0.000 1.877 370 A HA -0.128 4.192 4.320 0.000 0.000 0.216 370 A C 2.353 179.863 177.584 -0.123 0.000 1.186 370 A CA 0.889 52.888 52.037 -0.064 0.000 0.620 370 A CB -0.807 18.158 19.000 -0.059 0.000 0.822 370 A HN 0.221 nan 8.150 nan 0.000 0.443 371 L N -1.001 120.088 121.223 -0.223 0.000 2.456 371 L HA -0.071 4.269 4.340 0.000 0.000 0.224 371 L C 2.117 178.947 176.870 -0.067 0.000 1.148 371 L CA 1.292 55.908 54.840 -0.373 0.000 0.825 371 L CB -0.229 41.514 42.059 -0.527 0.000 0.937 371 L HN 0.356 nan 8.230 nan 0.000 0.450 372 T N -1.690 112.837 114.554 -0.046 0.000 2.978 372 T HA 0.078 4.428 4.350 0.000 0.000 0.248 372 T C 1.280 175.974 174.700 -0.010 0.000 1.018 372 T CA 0.324 62.415 62.100 -0.015 0.000 1.026 372 T CB 0.460 69.312 68.868 -0.026 0.000 1.032 372 T HN 0.183 nan 8.240 nan 0.000 0.485 373 K N 0.682 121.074 120.400 -0.013 0.000 2.506 373 K HA 0.334 4.654 4.320 0.000 0.000 0.204 373 K C 1.438 178.030 176.600 -0.014 0.000 1.045 373 K CA -0.169 56.109 56.287 -0.015 0.000 1.074 373 K CB 0.980 33.471 32.500 -0.016 0.000 0.842 373 K HN 0.138 nan 8.250 nan 0.000 0.514 374 G N 0.784 109.581 108.800 -0.004 0.000 3.042 374 G HA2 -0.087 3.873 3.960 0.000 0.000 0.212 374 G HA3 -0.087 3.873 3.960 0.000 0.000 0.212 374 G C 1.208 176.087 174.900 -0.033 0.000 1.166 374 G CA -0.192 44.903 45.100 -0.008 0.000 0.767 374 G HN 0.124 nan 8.290 nan 0.000 0.546 375 R N 0.711 121.183 120.500 -0.047 0.000 2.073 375 R HA -0.054 4.286 4.340 0.000 0.000 0.234 375 R C 2.317 178.571 176.300 -0.078 0.000 1.134 375 R CA 1.423 57.472 56.100 -0.084 0.000 0.952 375 R CB -0.106 30.142 30.300 -0.086 0.000 0.850 375 R HN 0.267 nan 8.270 nan 0.000 0.433 376 K N -0.313 120.053 120.400 -0.056 0.000 2.063 376 K HA -0.129 4.191 4.320 0.000 0.000 0.208 376 K C 1.918 178.486 176.600 -0.054 0.000 1.048 376 K CA 1.547 57.803 56.287 -0.050 0.000 0.928 376 K CB -0.138 32.340 32.500 -0.036 0.000 0.713 376 K HN 0.169 nan 8.250 nan 0.000 0.442 377 A N 0.583 123.373 122.820 -0.050 0.000 2.167 377 A HA 0.145 4.465 4.320 0.000 0.000 0.214 377 A C 1.456 178.992 177.584 -0.080 0.000 1.151 377 A CA 0.877 52.883 52.037 -0.052 0.000 0.735 377 A CB -0.393 18.588 19.000 -0.032 0.000 0.802 377 A HN 0.443 nan 8.150 nan 0.000 0.467 378 G N -1.077 107.661 108.800 -0.103 0.000 2.182 378 G HA2 -0.193 3.767 3.960 0.000 0.000 0.248 378 G HA3 -0.193 3.767 3.960 0.000 0.000 0.248 378 G C 0.042 174.822 174.900 -0.201 0.000 1.042 378 G CA 0.216 45.222 45.100 -0.156 0.000 0.775 378 G HN 0.592 nan 8.290 nan 0.000 0.501 379 L N 0.051 121.189 121.223 -0.141 0.000 2.410 379 L HA 0.511 4.851 4.340 0.000 0.000 0.273 379 L C 0.529 177.300 176.870 -0.164 0.000 1.152 379 L CA -0.092 54.677 54.840 -0.118 0.000 0.855 379 L CB 0.374 42.418 42.059 -0.025 0.000 1.129 379 L HN 0.300 nan 8.230 nan 0.000 0.463 380 R N 4.092 124.421 120.500 -0.284 0.000 2.435 380 R HA 0.464 4.804 4.340 0.000 0.000 0.308 380 R C -1.216 175.046 176.300 -0.065 0.000 0.975 380 R CA -0.619 55.254 56.100 -0.380 0.000 0.867 380 R CB 2.044 31.553 30.300 -1.317 0.000 1.171 380 R HN 0.361 nan 8.270 nan 0.000 0.470 381 V N 3.674 123.715 119.914 0.212 0.000 2.427 381 V HA 0.451 4.571 4.120 0.000 0.000 0.286 381 V C -0.154 176.064 176.094 0.206 0.000 1.034 381 V CA -0.782 61.563 62.300 0.075 0.000 0.893 381 V CB 1.929 33.620 31.823 -0.220 0.000 0.982 381 V HN 0.402 nan 8.190 nan 0.000 0.452 382 V N 3.823 123.815 119.914 0.130 0.000 2.483 382 V HA 0.843 4.963 4.120 0.000 0.000 0.297 382 V C 0.061 176.292 176.094 0.229 0.000 1.027 382 V CA -0.323 62.093 62.300 0.193 0.000 0.855 382 V CB 1.648 33.480 31.823 0.015 0.000 0.995 382 V HN 1.050 nan 8.190 nan 0.000 0.424 383 A N 3.563 126.531 122.820 0.245 0.000 2.386 383 A HA 0.941 5.261 4.320 0.000 0.000 0.311 383 A C 0.097 177.709 177.584 0.047 0.000 1.068 383 A CA -0.188 51.933 52.037 0.140 0.000 0.743 383 A CB 1.805 20.859 19.000 0.091 0.000 1.258 383 A HN 1.022 nan 8.150 nan 0.000 0.429 384 G N -0.312 108.533 108.800 0.074 0.000 2.412 384 G HA2 0.607 4.567 3.960 0.000 0.000 0.318 384 G HA3 0.607 4.567 3.960 0.000 0.000 0.318 384 G C -1.289 173.615 174.900 0.007 0.000 1.146 384 G CA -0.298 44.831 45.100 0.049 0.000 0.882 384 G HN 0.953 nan 8.290 nan 0.000 0.501 385 L N -0.126 121.092 121.223 -0.007 0.000 2.549 385 L HA 0.364 4.704 4.340 0.000 0.000 0.259 385 L C 0.607 177.476 176.870 -0.002 0.000 0.934 385 L CA -0.407 54.422 54.840 -0.019 0.000 0.865 385 L CB 2.074 44.087 42.059 -0.077 0.000 1.352 385 L HN 0.733 nan 8.230 nan 0.000 0.410 386 Q N 0.417 120.223 119.800 0.010 0.000 2.252 386 Q HA 0.353 4.693 4.340 0.000 0.000 0.195 386 Q C -0.264 175.740 176.000 0.008 0.000 0.974 386 Q CA 0.254 56.065 55.803 0.014 0.000 0.846 386 Q CB 0.511 29.263 28.738 0.023 0.000 0.943 386 Q HN 0.626 nan 8.270 nan 0.000 0.516 387 S N -0.285 115.421 115.700 0.010 0.000 2.503 387 S HA 0.164 4.634 4.470 0.000 0.000 0.301 387 S C 0.659 175.262 174.600 0.004 0.000 1.087 387 S CA -0.464 57.740 58.200 0.007 0.000 1.042 387 S CB 1.641 64.848 63.200 0.012 0.000 1.043 387 S HN 0.439 nan 8.310 nan 0.000 0.489 388 T N -0.348 114.205 114.554 -0.001 0.000 2.995 388 T HA -0.095 4.255 4.350 0.000 0.000 0.269 388 T C 1.881 176.587 174.700 0.011 0.000 1.091 388 T CA 1.184 63.282 62.100 -0.004 0.000 1.128 388 T CB -0.419 68.444 68.868 -0.008 0.000 0.891 388 T HN 0.568 nan 8.240 nan 0.000 0.492 389 S N 1.409 117.117 115.700 0.013 0.000 2.423 389 S HA -0.134 4.336 4.470 0.000 0.000 0.231 389 S C 2.105 176.722 174.600 0.028 0.000 1.014 389 S CA 0.510 58.721 58.200 0.019 0.000 0.965 389 S CB -0.523 62.685 63.200 0.014 0.000 0.785 389 S HN 0.587 nan 8.310 nan 0.000 0.495 390 Q N 0.517 120.335 119.800 0.031 0.000 1.965 390 Q HA 0.008 4.348 4.340 0.000 0.000 0.200 390 Q C 2.232 178.275 176.000 0.071 0.000 0.981 390 Q CA 1.445 57.274 55.803 0.043 0.000 0.834 390 Q CB -0.455 28.308 28.738 0.042 0.000 0.900 390 Q HN 0.445 nan 8.270 nan 0.000 0.426 391 L N 1.554 122.826 121.223 0.082 0.000 2.089 391 L HA -0.266 4.074 4.340 0.000 0.000 0.213 391 L C 1.529 178.502 176.870 0.172 0.000 1.079 391 L CA 1.949 56.877 54.840 0.146 0.000 0.758 391 L CB -0.508 41.583 42.059 0.052 0.000 0.891 391 L HN 0.201 nan 8.230 nan 0.000 0.433 392 D N -0.804 119.652 120.400 0.093 0.000 2.097 392 D HA -0.213 4.427 4.640 0.000 0.000 0.195 392 D C 1.885 178.229 176.300 0.073 0.000 0.989 392 D CA 1.532 55.580 54.000 0.079 0.000 0.827 392 D CB -0.234 40.592 40.800 0.043 0.000 0.966 392 D HN 0.456 nan 8.370 nan 0.000 0.456 393 D N -0.600 119.832 120.400 0.054 0.000 2.218 393 D HA -0.098 4.542 4.640 0.000 0.000 0.204 393 D C 1.849 178.158 176.300 0.015 0.000 0.976 393 D CA 0.525 54.542 54.000 0.029 0.000 0.853 393 D CB 0.307 41.119 40.800 0.021 0.000 0.939 393 D HN 0.000 nan 8.370 nan 0.000 0.481 394 V N -0.642 119.292 119.914 0.035 0.000 2.374 394 V HA -0.119 4.001 4.120 0.000 0.000 0.241 394 V C 1.505 177.499 176.094 -0.166 0.000 1.034 394 V CA 1.174 63.435 62.300 -0.066 0.000 1.037 394 V CB -0.542 31.241 31.823 -0.065 0.000 0.682 394 V HN 0.211 nan 8.190 nan 0.000 0.463 395 Y N 0.593 120.895 120.300 0.004 0.000 2.503 395 Y HA 0.519 5.069 4.550 0.000 0.000 0.278 395 Y C 1.341 177.240 175.900 -0.002 0.000 1.111 395 Y CA 0.505 58.608 58.100 0.004 0.000 1.270 395 Y CB 0.076 38.545 38.460 0.014 0.000 1.063 395 Y HN 0.360 nan 8.280 nan 0.000 0.548 396 G N -0.518 108.360 108.800 0.129 0.000 2.712 396 G HA2 -0.157 3.803 3.960 0.000 0.000 0.686 396 G HA3 -0.157 3.803 3.960 0.000 0.000 0.686 396 G C 0.372 175.318 174.900 0.077 0.000 1.181 396 G CA -0.540 44.603 45.100 0.071 0.000 0.762 396 G HN -0.026 nan 8.290 nan 0.000 0.641 397 V N 2.508 122.449 119.914 0.046 0.000 2.220 397 V HA -0.261 3.859 4.120 0.000 0.000 0.250 397 V C 3.080 179.194 176.094 0.034 0.000 1.056 397 V CA 2.760 65.081 62.300 0.035 0.000 1.016 397 V CB -0.566 31.270 31.823 0.021 0.000 0.639 397 V HN 0.804 nan 8.190 nan 0.000 0.446 398 K N -0.150 120.267 120.400 0.029 0.000 2.020 398 K HA -0.256 4.064 4.320 0.000 0.000 0.212 398 K C 2.150 178.769 176.600 0.032 0.000 1.050 398 K CA 2.111 58.413 56.287 0.025 0.000 0.929 398 K CB -0.542 31.969 32.500 0.019 0.000 0.714 398 K HN 0.639 nan 8.250 nan 0.000 0.443 399 E N 0.155 120.387 120.200 0.053 0.000 2.072 399 E HA -0.104 4.246 4.350 0.000 0.000 0.191 399 E C 1.825 178.451 176.600 0.043 0.000 0.985 399 E CA 1.072 57.514 56.400 0.071 0.000 0.801 399 E CB -0.035 29.746 29.700 0.134 0.000 0.750 399 E HN 0.318 nan 8.360 nan 0.000 0.452 400 A N 0.603 123.458 122.820 0.059 0.000 1.969 400 A HA -0.234 4.086 4.320 0.000 0.000 0.218 400 A C 2.099 179.668 177.584 -0.025 0.000 1.169 400 A CA 1.550 53.582 52.037 -0.008 0.000 0.635 400 A CB -0.513 18.518 19.000 0.052 0.000 0.810 400 A HN 0.378 nan 8.150 nan 0.000 0.445 401 Q N -0.624 119.178 119.800 0.003 0.000 2.046 401 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 401 Q C 1.966 177.972 176.000 0.010 0.000 0.975 401 Q CA 2.060 57.867 55.803 0.006 0.000 0.836 401 Q CB -0.274 28.471 28.738 0.011 0.000 0.896 401 Q HN 0.578 nan 8.270 nan 0.000 0.428 402 T N 1.652 116.210 114.554 0.007 0.000 2.746 402 T HA -0.160 4.190 4.350 0.000 0.000 0.267 402 T C 1.716 176.423 174.700 0.010 0.000 1.039 402 T CA 1.156 63.262 62.100 0.009 0.000 1.142 402 T CB -0.277 68.594 68.868 0.006 0.000 0.866 402 T HN 0.196 nan 8.240 nan 0.000 0.444 403 L N 1.276 122.485 121.223 -0.023 0.000 1.976 403 L HA -0.025 4.315 4.340 0.000 0.000 0.209 403 L C 2.538 179.495 176.870 0.146 0.000 1.071 403 L CA 1.761 56.589 54.840 -0.020 0.000 0.746 403 L CB -0.527 41.396 42.059 -0.227 0.000 0.890 403 L HN 0.065 nan 8.230 nan 0.000 0.432 404 R N -0.768 119.776 120.500 0.075 0.000 2.091 404 R HA -0.164 4.176 4.340 0.000 0.000 0.238 404 R C 2.158 178.579 176.300 0.203 0.000 1.136 404 R CA 1.401 57.564 56.100 0.105 0.000 0.959 404 R CB -0.708 29.589 30.300 -0.006 0.000 0.856 404 R HN 0.542 nan 8.270 nan 0.000 0.437 405 A N 0.348 123.239 122.820 0.118 0.000 2.076 405 A HA -0.135 4.185 4.320 0.000 0.000 0.220 405 A C 2.005 179.659 177.584 0.118 0.000 1.160 405 A CA 1.614 53.711 52.037 0.100 0.000 0.653 405 A CB -0.248 18.784 19.000 0.054 0.000 0.801 405 A HN 0.239 nan 8.150 nan 0.000 0.455 406 S N -1.084 114.694 115.700 0.130 0.000 2.522 406 S HA 0.142 4.612 4.470 0.000 0.000 0.227 406 S C -0.137 174.467 174.600 0.007 0.000 0.986 406 S CA 0.100 58.317 58.200 0.027 0.000 0.929 406 S CB -0.249 62.891 63.200 -0.099 0.000 0.769 406 S HN 0.461 nan 8.310 nan 0.000 0.529 407 F N 2.497 122.489 119.950 0.071 0.000 2.335 407 F HA 0.391 4.918 4.527 0.000 0.000 0.365 407 F C 1.326 177.180 175.800 0.090 0.000 1.122 407 F CA -0.959 57.110 58.000 0.116 0.000 1.151 407 F CB 0.654 39.701 39.000 0.078 0.000 1.282 407 F HN -0.180 nan 8.300 nan 0.000 0.513 408 R N 0.483 121.101 120.500 0.196 0.000 2.092 408 R HA 0.007 4.347 4.340 0.000 0.000 0.231 408 R C 0.374 176.768 176.300 0.158 0.000 1.119 408 R CA 0.445 56.626 56.100 0.136 0.000 0.970 408 R CB -0.488 29.853 30.300 0.068 0.000 0.864 408 R HN 0.359 nan 8.270 nan 0.000 0.440 409 S N 1.032 116.854 115.700 0.202 0.000 2.489 409 S HA 0.468 4.939 4.470 0.000 0.000 0.291 409 S C -0.413 174.284 174.600 0.161 0.000 1.151 409 S CA -0.706 57.617 58.200 0.204 0.000 1.082 409 S CB 1.704 65.089 63.200 0.308 0.000 1.019 409 S HN 0.068 nan 8.310 nan 0.000 0.492 410 L N 3.382 124.652 121.223 0.078 0.000 2.370 410 L HA 0.821 5.161 4.340 0.000 0.000 0.266 410 L C -1.459 175.403 176.870 -0.013 0.000 1.002 410 L CA -0.505 54.359 54.840 0.039 0.000 0.818 410 L CB 1.912 43.990 42.059 0.031 0.000 1.325 410 L HN 0.454 nan 8.230 nan 0.000 0.418 411 V N 4.612 124.527 119.914 0.002 0.000 2.525 411 V HA 0.520 4.640 4.120 0.000 0.000 0.299 411 V C -0.935 175.178 176.094 0.030 0.000 1.034 411 V CA -0.616 61.684 62.300 0.000 0.000 0.863 411 V CB 2.061 33.887 31.823 0.004 0.000 0.999 411 V HN 0.521 nan 8.190 nan 0.000 0.423 412 V N 6.567 126.523 119.914 0.071 0.000 2.334 412 V HA 0.375 4.495 4.120 0.000 0.000 0.281 412 V C 0.506 176.673 176.094 0.122 0.000 1.016 412 V CA -0.182 62.172 62.300 0.090 0.000 0.832 412 V CB 1.656 33.535 31.823 0.095 0.000 0.999 412 V HN 0.763 nan 8.190 nan 0.000 0.439 413 L N 4.142 125.410 121.223 0.075 0.000 2.653 413 L HA 0.441 4.782 4.340 0.000 0.000 0.231 413 L C 1.146 178.054 176.870 0.064 0.000 1.153 413 L CA 0.382 55.258 54.840 0.061 0.000 0.933 413 L CB -0.161 41.921 42.059 0.039 0.000 1.175 413 L HN 0.985 nan 8.230 nan 0.000 0.473 414 G N -0.004 108.847 108.800 0.085 0.000 3.129 414 G HA2 -0.059 3.901 3.960 0.000 0.000 0.686 414 G HA3 -0.059 3.901 3.960 0.000 0.000 0.686 414 G C 0.004 174.929 174.900 0.042 0.000 0.989 414 G CA -0.357 44.786 45.100 0.072 0.000 0.810 414 G HN 0.400 nan 8.290 nan 0.000 0.539 415 G N 0.100 108.920 108.800 0.033 0.000 2.795 415 G HA2 0.865 4.825 3.960 0.000 0.000 0.267 415 G HA3 0.865 4.825 3.960 0.000 0.000 0.267 415 G C 0.431 175.343 174.900 0.019 0.000 1.362 415 G CA 0.599 45.712 45.100 0.022 0.000 1.048 415 G HN 1.776 nan 8.290 nan 0.000 0.547 416 S N -1.541 114.167 115.700 0.014 0.000 2.601 416 S HA 0.178 4.648 4.470 0.000 0.000 0.271 416 S C 1.686 176.292 174.600 0.010 0.000 1.305 416 S CA -0.321 57.886 58.200 0.012 0.000 1.022 416 S CB 0.755 63.961 63.200 0.010 0.000 0.940 416 S HN 0.628 nan 8.310 nan 0.000 0.525 417 R N 1.317 121.822 120.500 0.008 0.000 2.307 417 R HA 0.026 4.366 4.340 0.000 0.000 0.199 417 R C 1.509 177.812 176.300 0.005 0.000 1.000 417 R CA 1.203 57.307 56.100 0.006 0.000 1.023 417 R CB -1.090 29.213 30.300 0.006 0.000 0.908 417 R HN 0.694 nan 8.270 nan 0.000 0.473 418 T N -2.345 112.212 114.554 0.005 0.000 3.118 418 T HA -0.067 4.283 4.350 0.000 0.000 0.260 418 T C 0.331 175.034 174.700 0.004 0.000 1.139 418 T CA 0.520 62.623 62.100 0.005 0.000 1.085 418 T CB 0.074 68.945 68.868 0.005 0.000 0.934 418 T HN 0.142 nan 8.240 nan 0.000 0.518 419 D N 2.138 122.541 120.400 0.005 0.000 2.517 419 D HA 0.297 4.937 4.640 0.000 0.000 0.301 419 D C -1.515 174.787 176.300 0.002 0.000 1.202 419 D CA -2.550 51.452 54.000 0.004 0.000 0.910 419 D CB 1.346 42.149 40.800 0.006 0.000 1.021 419 D HN 0.040 nan 8.370 nan 0.000 0.499 420 P HA -0.159 nan 4.420 nan 0.000 0.222 420 P C 1.068 178.367 177.300 -0.003 0.000 1.147 420 P CA 0.724 63.823 63.100 -0.001 0.000 0.790 420 P CB 0.599 32.299 31.700 -0.001 0.000 0.780 421 K N -0.274 120.125 120.400 -0.002 0.000 2.002 421 K HA -0.063 4.257 4.320 0.000 0.000 0.209 421 K C 2.262 178.859 176.600 -0.005 0.000 1.048 421 K CA 1.835 58.120 56.287 -0.003 0.000 0.930 421 K CB -0.926 31.573 32.500 -0.001 0.000 0.714 421 K HN 0.105 nan 8.250 nan 0.000 0.438 422 T N 1.850 116.402 114.554 -0.003 0.000 2.746 422 T HA -0.095 4.255 4.350 0.000 0.000 0.267 422 T C 1.558 176.253 174.700 -0.008 0.000 1.039 422 T CA 1.288 63.385 62.100 -0.005 0.000 1.142 422 T CB -0.275 68.593 68.868 -0.001 0.000 0.866 422 T HN 0.204 nan 8.240 nan 0.000 0.444 423 N N 1.040 119.736 118.700 -0.006 0.000 2.205 423 N HA -0.113 4.627 4.740 0.000 0.000 0.186 423 N C 1.932 177.430 175.510 -0.020 0.000 1.015 423 N CA 1.125 54.168 53.050 -0.011 0.000 0.862 423 N CB -0.313 38.171 38.487 -0.006 0.000 0.986 423 N HN 0.489 nan 8.380 nan 0.000 0.429 424 E N 1.407 121.597 120.200 -0.016 0.000 2.072 424 E HA -0.119 4.231 4.350 0.000 0.000 0.190 424 E C 1.038 177.624 176.600 -0.023 0.000 0.982 424 E CA 1.291 57.679 56.400 -0.020 0.000 0.803 424 E CB -0.167 29.525 29.700 -0.013 0.000 0.755 424 E HN 0.143 nan 8.360 nan 0.000 0.453 425 D N -0.196 120.193 120.400 -0.018 0.000 2.097 425 D HA -0.165 4.475 4.640 0.000 0.000 0.195 425 D C 1.845 178.129 176.300 -0.026 0.000 0.989 425 D CA 1.247 55.236 54.000 -0.018 0.000 0.827 425 D CB -0.203 40.589 40.800 -0.014 0.000 0.966 425 D HN 0.260 nan 8.370 nan 0.000 0.456 426 M N 0.346 119.929 119.600 -0.029 0.000 2.117 426 M HA -0.097 4.383 4.480 0.000 0.000 0.262 426 M C 2.350 178.610 176.300 -0.065 0.000 1.065 426 M CA 0.856 56.132 55.300 -0.039 0.000 1.114 426 M CB -1.184 31.397 32.600 -0.031 0.000 1.361 426 M HN -0.046 nan 8.290 nan 0.000 0.408 427 S N 0.692 116.351 115.700 -0.068 0.000 2.348 427 S HA -0.100 4.370 4.470 0.000 0.000 0.221 427 S C 1.993 176.549 174.600 -0.072 0.000 1.033 427 S CA 0.996 59.144 58.200 -0.088 0.000 1.010 427 S CB -0.266 62.893 63.200 -0.068 0.000 0.891 427 S HN 0.481 nan 8.310 nan 0.000 0.442 428 L N 0.895 122.089 121.223 -0.048 0.000 2.083 428 L HA -0.079 4.261 4.340 0.000 0.000 0.209 428 L C 2.418 179.269 176.870 -0.033 0.000 1.083 428 L CA 1.476 56.294 54.840 -0.036 0.000 0.752 428 L CB -0.521 41.523 42.059 -0.025 0.000 0.899 428 L HN 0.363 nan 8.230 nan 0.000 0.433 429 S N -0.117 115.563 115.700 -0.033 0.000 2.368 429 S HA -0.147 4.323 4.470 0.000 0.000 0.225 429 S C 1.731 176.315 174.600 -0.028 0.000 1.030 429 S CA 0.840 59.027 58.200 -0.022 0.000 0.999 429 S CB -0.187 63.002 63.200 -0.019 0.000 0.844 429 S HN 0.231 nan 8.310 nan 0.000 0.459 430 L N 1.047 122.236 121.223 -0.057 0.000 2.265 430 L HA 0.139 4.479 4.340 0.000 0.000 0.215 430 L C 1.430 178.270 176.870 -0.049 0.000 1.117 430 L CA 1.368 56.165 54.840 -0.071 0.000 0.782 430 L CB -1.953 40.011 42.059 -0.159 0.000 0.914 430 L HN 0.482 nan 8.230 nan 0.000 0.441 431 G N -0.496 108.276 108.800 -0.047 0.000 2.746 431 G HA2 -0.169 3.791 3.960 0.000 0.000 0.685 431 G HA3 -0.169 3.791 3.960 0.000 0.000 0.685 431 G C -0.295 174.572 174.900 -0.055 0.000 1.350 431 G CA -0.548 44.532 45.100 -0.033 0.000 0.837 431 G HN 0.224 nan 8.290 nan 0.000 0.564 432 E N -0.248 119.926 120.200 -0.042 0.000 2.254 432 E HA 0.680 5.030 4.350 0.000 0.000 0.258 432 E C 0.295 176.887 176.600 -0.014 0.000 1.033 432 E CA -0.522 55.839 56.400 -0.065 0.000 0.893 432 E CB 1.426 31.103 29.700 -0.040 0.000 1.204 432 E HN 0.845 nan 8.360 nan 0.000 0.425 433 H N -1.626 117.357 119.070 -0.146 0.000 2.961 433 H HA 0.497 5.053 4.556 0.000 0.000 0.371 433 H C -1.266 173.847 175.328 -0.358 0.000 1.190 433 H CA -0.999 54.894 56.048 -0.258 0.000 1.138 433 H CB 1.917 31.526 29.762 -0.256 0.000 1.816 433 H HN 0.383 nan 8.280 nan 0.000 0.551 434 E N 2.478 122.428 120.200 -0.417 0.000 2.151 434 E HA 0.469 4.819 4.350 0.000 0.000 0.275 434 E C -1.511 174.649 176.600 -0.734 0.000 0.936 434 E CA -0.863 55.280 56.400 -0.429 0.000 0.777 434 E CB 2.068 31.579 29.700 -0.315 0.000 1.108 434 E HN 0.401 nan 8.360 nan 0.000 0.401 435 V N 3.480 123.013 119.914 -0.635 0.000 3.102 435 V HA 0.341 4.461 4.120 0.000 0.000 0.312 435 V C -1.039 174.860 176.094 -0.324 0.000 1.135 435 V CA -0.719 61.159 62.300 -0.703 0.000 1.022 435 V CB 2.352 33.457 31.823 -1.198 0.000 1.056 435 V HN 0.734 nan 8.190 nan 0.000 0.436 436 E N 2.387 122.481 120.200 -0.176 0.000 2.155 436 E HA 0.554 4.904 4.350 0.000 0.000 0.264 436 E C -0.839 175.798 176.600 0.062 0.000 0.886 436 E CA -0.502 55.874 56.400 -0.041 0.000 0.752 436 E CB 1.223 30.913 29.700 -0.017 0.000 1.133 436 E HN 0.466 nan 8.360 nan 0.000 0.414 437 R N 2.446 122.980 120.500 0.057 0.000 2.854 437 R HA 0.328 4.668 4.340 0.000 0.000 0.271 437 R C -1.213 175.127 176.300 0.066 0.000 0.996 437 R CA -1.032 55.128 56.100 0.100 0.000 0.961 437 R CB 1.314 31.686 30.300 0.120 0.000 1.182 437 R HN 0.443 nan 8.270 nan 0.000 0.479 438 D N 2.249 122.690 120.400 0.068 0.000 2.316 438 D HA 0.141 4.781 4.640 0.000 0.000 0.245 438 D C 0.427 176.753 176.300 0.044 0.000 1.171 438 D CA -0.226 53.802 54.000 0.047 0.000 0.856 438 D CB 0.696 41.521 40.800 0.042 0.000 1.090 438 D HN 0.005 nan 8.370 nan 0.000 0.476 455 E N 1.791 121.997 120.200 0.010 0.000 2.293 455 E HA 0.773 5.123 4.350 0.000 0.000 0.270 455 E C -1.268 175.322 176.600 -0.015 0.000 0.879 455 E CA -1.130 55.270 56.400 0.000 0.000 0.756 455 E CB 2.039 31.745 29.700 0.009 0.000 1.208 455 E HN 0.275 nan 8.360 nan 0.000 0.428 456 R N 1.791 122.273 120.500 -0.031 0.000 2.312 456 R HA 0.581 4.921 4.340 0.000 0.000 0.311 456 R C -0.833 175.432 176.300 -0.059 0.000 1.004 456 R CA -0.974 55.089 56.100 -0.061 0.000 0.902 456 R CB 1.402 31.664 30.300 -0.063 0.000 1.073 456 R HN 0.463 nan 8.270 nan 0.000 0.457 457 V N 3.146 123.006 119.914 -0.089 0.000 2.841 457 V HA 0.477 4.597 4.120 0.000 0.000 0.310 457 V C -0.053 175.991 176.094 -0.083 0.000 1.090 457 V CA -0.936 61.328 62.300 -0.060 0.000 0.930 457 V CB 2.922 34.734 31.823 -0.018 0.000 1.014 457 V HN 0.588 nan 8.190 nan 0.000 0.425 458 R N 2.764 123.240 120.500 -0.040 0.000 2.393 458 R HA 0.737 5.077 4.340 0.000 0.000 0.310 458 R C -0.853 175.459 176.300 0.020 0.000 0.968 458 R CA -0.445 55.640 56.100 -0.025 0.000 0.867 458 R CB 1.693 31.971 30.300 -0.036 0.000 1.124 458 R HN 0.973 nan 8.270 nan 0.000 0.450 459 E N 2.451 122.682 120.200 0.053 0.000 2.407 459 E HA 0.360 4.711 4.350 0.000 0.000 0.279 459 E C -1.117 175.443 176.600 -0.066 0.000 1.012 459 E CA -1.241 55.177 56.400 0.030 0.000 0.800 459 E CB 1.109 30.876 29.700 0.112 0.000 1.276 459 E HN 0.111 nan 8.360 nan 0.000 0.452 460 R N 1.003 121.474 120.500 -0.048 0.000 2.491 460 R HA 0.130 4.470 4.340 0.000 0.000 0.283 460 R C 0.862 177.099 176.300 -0.105 0.000 1.072 460 R CA -0.169 55.880 56.100 -0.084 0.000 1.048 460 R CB 0.901 31.171 30.300 -0.051 0.000 0.983 460 R HN 0.520 nan 8.270 nan 0.000 0.450 461 V N 2.485 122.290 119.914 -0.182 0.000 2.427 461 V HA -0.104 4.016 4.120 0.000 0.000 0.248 461 V C 0.911 177.039 176.094 0.057 0.000 1.051 461 V CA 1.358 63.602 62.300 -0.094 0.000 1.048 461 V CB 0.060 31.815 31.823 -0.112 0.000 0.666 461 V HN 0.393 nan 8.190 nan 0.000 0.456 462 V N 0.847 120.704 119.914 -0.094 0.000 2.443 462 V HA 0.377 4.497 4.120 0.000 0.000 0.293 462 V C -0.181 175.839 176.094 -0.123 0.000 1.021 462 V CA -0.474 61.722 62.300 -0.172 0.000 0.848 462 V CB 1.636 33.161 31.823 -0.497 0.000 0.998 462 V HN 0.234 nan 8.190 nan 0.000 0.424 463 M N 5.413 124.969 119.600 -0.072 0.000 2.240 463 M HA 0.228 4.708 4.480 0.000 0.000 0.333 463 M C -1.377 174.894 176.300 -0.049 0.000 1.110 463 M CA -1.271 54.000 55.300 -0.049 0.000 1.173 463 M CB 1.271 33.853 32.600 -0.031 0.000 1.458 463 M HN 0.330 nan 8.290 nan 0.000 0.458 464 P HA -0.156 nan 4.420 nan 0.000 0.216 464 P C 0.784 178.076 177.300 -0.014 0.000 1.150 464 P CA 1.602 64.686 63.100 -0.028 0.000 0.837 464 P CB 0.005 31.693 31.700 -0.020 0.000 0.786 465 A N -0.074 122.739 122.820 -0.011 0.000 1.933 465 A HA -0.230 4.090 4.320 0.000 0.000 0.218 465 A C 2.115 179.704 177.584 0.008 0.000 1.175 465 A CA 1.545 53.580 52.037 -0.002 0.000 0.628 465 A CB -1.099 17.898 19.000 -0.004 0.000 0.814 465 A HN 0.194 nan 8.150 nan 0.000 0.444 466 E N -0.286 119.918 120.200 0.006 0.000 2.077 466 E HA -0.149 4.202 4.350 0.000 0.000 0.193 466 E C 1.830 178.476 176.600 0.076 0.000 0.989 466 E CA 1.221 57.644 56.400 0.038 0.000 0.800 466 E CB -0.288 29.434 29.700 0.037 0.000 0.746 466 E HN 0.711 nan 8.360 nan 0.000 0.452 467 I N 0.964 121.562 120.570 0.046 0.000 2.394 467 I HA -0.184 3.986 4.170 0.000 0.000 0.251 467 I C 2.389 178.540 176.117 0.056 0.000 1.136 467 I CA 0.666 62.008 61.300 0.071 0.000 1.425 467 I CB -0.185 37.824 38.000 0.014 0.000 1.079 467 I HN 0.043 nan 8.210 nan 0.000 0.425 468 A N 0.372 123.211 122.820 0.032 0.000 2.119 468 A HA -0.055 4.265 4.320 0.000 0.000 0.216 468 A C 1.710 179.309 177.584 0.025 0.000 1.152 468 A CA 1.022 53.073 52.037 0.024 0.000 0.708 468 A CB -0.313 18.695 19.000 0.013 0.000 0.805 468 A HN 0.390 nan 8.150 nan 0.000 0.460 469 N N -0.361 118.358 118.700 0.032 0.000 2.236 469 N HA 0.187 4.927 4.740 0.000 0.000 0.196 469 N C -0.123 175.405 175.510 0.030 0.000 1.114 469 N CA -0.039 53.027 53.050 0.026 0.000 0.859 469 N CB 0.229 38.728 38.487 0.021 0.000 0.982 469 N HN 0.390 nan 8.380 nan 0.000 0.493 470 L N 3.301 124.552 121.223 0.046 0.000 2.490 470 L HA 0.096 4.436 4.340 0.000 0.000 0.274 470 L C -1.645 175.235 176.870 0.017 0.000 1.201 470 L CA -0.864 53.999 54.840 0.038 0.000 0.869 470 L CB 0.176 42.272 42.059 0.061 0.000 1.123 470 L HN -0.084 nan 8.230 nan 0.000 0.484 471 P HA 0.149 nan 4.420 nan 0.000 0.279 471 P C -0.988 176.311 177.300 -0.002 0.000 1.252 471 P CA -0.720 62.379 63.100 -0.001 0.000 0.811 471 P CB 0.826 32.522 31.700 -0.008 0.000 1.035 472 D N 1.061 121.461 120.400 0.000 0.000 2.364 472 D HA 0.010 4.650 4.640 0.000 0.000 0.236 472 D C 1.162 177.460 176.300 -0.004 0.000 1.221 472 D CA 0.224 54.225 54.000 0.002 0.000 0.891 472 D CB 0.140 40.942 40.800 0.003 0.000 1.190 472 D HN 0.442 nan 8.370 nan 0.000 0.449 473 L N -0.815 120.408 121.223 -0.000 0.000 3.843 473 L HA -0.237 4.104 4.340 0.000 0.000 0.411 473 L C -0.213 176.646 176.870 -0.018 0.000 1.205 473 L CA 0.619 55.457 54.840 -0.003 0.000 0.945 473 L CB -2.027 40.030 42.059 -0.003 0.000 1.929 473 L HN 0.329 nan 8.230 nan 0.000 0.934 474 T N -0.307 114.230 114.554 -0.028 0.000 2.879 474 T HA 0.797 5.147 4.350 0.000 0.000 0.290 474 T C -0.126 174.529 174.700 -0.076 0.000 0.993 474 T CA 0.102 62.163 62.100 -0.065 0.000 0.975 474 T CB 2.081 70.904 68.868 -0.075 0.000 0.981 474 T HN 0.370 nan 8.240 nan 0.000 0.439 475 A N 2.645 125.395 122.820 -0.117 0.000 2.539 475 A HA 0.788 5.108 4.320 0.000 0.000 0.296 475 A C -1.888 175.589 177.584 -0.178 0.000 1.073 475 A CA -0.757 51.225 52.037 -0.091 0.000 0.700 475 A CB 1.145 20.131 19.000 -0.024 0.000 1.296 475 A HN 0.792 nan 8.150 nan 0.000 0.405 476 Y N 0.759 121.046 120.300 -0.023 0.000 2.327 476 Y HA 0.457 5.007 4.550 0.000 0.000 0.336 476 Y C 0.160 176.016 175.900 -0.074 0.000 1.035 476 Y CA -0.026 58.056 58.100 -0.031 0.000 1.165 476 Y CB 1.762 40.212 38.460 -0.017 0.000 1.181 476 Y HN 0.370 nan 8.280 nan 0.000 0.494 477 V N 3.315 123.234 119.914 0.008 0.000 2.347 477 V HA 0.589 4.709 4.120 0.000 0.000 0.280 477 V C 0.227 176.202 176.094 -0.198 0.000 1.021 477 V CA -0.668 61.525 62.300 -0.178 0.000 0.847 477 V CB 1.379 33.023 31.823 -0.299 0.000 0.990 477 V HN 0.931 nan 8.190 nan 0.000 0.444 478 G N 4.454 113.125 108.800 -0.216 0.000 3.378 478 G HA2 0.553 4.513 3.960 0.000 0.000 0.332 478 G HA3 0.553 4.513 3.960 0.000 0.000 0.332 478 G C -0.686 174.160 174.900 -0.089 0.000 1.490 478 G CA -0.302 44.735 45.100 -0.104 0.000 1.068 478 G HN 0.350 nan 8.290 nan 0.000 0.492 479 F N 1.743 121.738 119.950 0.076 0.000 2.496 479 F HA 0.459 4.986 4.527 0.000 0.000 0.344 479 F C 1.313 177.146 175.800 0.056 0.000 1.155 479 F CA -0.107 57.934 58.000 0.068 0.000 1.302 479 F CB 0.908 39.944 39.000 0.060 0.000 1.159 479 F HN 0.541 nan 8.300 nan 0.000 0.595 480 A N 1.693 124.684 122.820 0.285 0.000 2.507 480 A HA 0.482 4.802 4.320 0.000 0.000 0.235 480 A C 0.848 178.504 177.584 0.119 0.000 1.070 480 A CA 0.443 52.574 52.037 0.156 0.000 0.768 480 A CB -0.799 18.268 19.000 0.112 0.000 1.011 480 A HN 1.654 nan 8.150 nan 0.000 0.502 481 G N 0.748 109.597 108.800 0.082 0.000 2.568 481 G HA2 -0.182 3.778 3.960 0.000 0.000 0.222 481 G HA3 -0.182 3.778 3.960 0.000 0.000 0.222 481 G C 0.004 174.944 174.900 0.066 0.000 1.321 481 G CA 0.238 45.374 45.100 0.060 0.000 0.893 481 G HN 1.623 nan 8.290 nan 0.000 0.569 482 N N 1.708 120.439 118.700 0.053 0.000 3.188 482 N HA 0.372 5.112 4.740 0.000 0.000 0.279 482 N C 0.268 175.812 175.510 0.056 0.000 1.213 482 N CA 0.010 53.091 53.050 0.052 0.000 1.138 482 N CB -0.250 38.260 38.487 0.038 0.000 1.417 482 N HN 0.615 nan 8.380 nan 0.000 0.526 483 R N 1.416 121.964 120.500 0.079 0.000 2.744 483 R HA 0.533 4.873 4.340 0.000 0.000 0.279 483 R C -2.666 173.688 176.300 0.089 0.000 0.977 483 R CA -1.672 54.483 56.100 0.093 0.000 0.906 483 R CB 1.256 31.648 30.300 0.154 0.000 1.197 483 R HN 0.293 nan 8.270 nan 0.000 0.463 484 P HA 0.236 nan 4.420 nan 0.000 0.274 484 P C -0.019 177.335 177.300 0.090 0.000 1.237 484 P CA -0.436 62.703 63.100 0.064 0.000 0.793 484 P CB 0.795 32.516 31.700 0.034 0.000 0.977 485 I N -1.852 118.774 120.570 0.094 0.000 2.797 485 I HA 0.807 4.977 4.170 0.000 0.000 0.310 485 I C -0.537 175.658 176.117 0.130 0.000 0.990 485 I CA -1.154 60.207 61.300 0.101 0.000 1.228 485 I CB 1.567 39.637 38.000 0.117 0.000 1.406 485 I HN 0.382 nan 8.210 nan 0.000 0.534 486 A N 3.440 126.333 122.820 0.121 0.000 2.549 486 A HA 0.512 4.832 4.320 0.000 0.000 0.297 486 A C -1.075 176.515 177.584 0.010 0.000 1.061 486 A CA -0.865 51.227 52.037 0.092 0.000 0.690 486 A CB 1.603 20.637 19.000 0.057 0.000 1.287 486 A HN 0.794 nan 8.150 nan 0.000 0.402 487 K N 2.095 122.437 120.400 -0.096 0.000 2.268 487 K HA 0.570 4.890 4.320 0.000 0.000 0.276 487 K C -1.261 175.220 176.600 -0.199 0.000 1.080 487 K CA -0.166 55.892 56.287 -0.381 0.000 0.910 487 K CB 0.597 32.791 32.500 -0.510 0.000 1.163 487 K HN 0.462 nan 8.250 nan 0.000 0.465 488 V N 6.218 126.030 119.914 -0.170 0.000 2.715 488 V HA 0.480 4.600 4.120 0.000 0.000 0.310 488 V C -2.194 173.851 176.094 -0.082 0.000 1.054 488 V CA -1.982 60.266 62.300 -0.088 0.000 0.928 488 V CB 1.738 33.536 31.823 -0.041 0.000 1.007 488 V HN 0.822 nan 8.190 nan 0.000 0.437 489 P HA 0.325 nan 4.420 nan 0.000 0.285 489 P C -1.002 176.288 177.300 -0.017 0.000 1.259 489 P CA -0.333 62.745 63.100 -0.038 0.000 0.794 489 P CB 1.526 33.209 31.700 -0.028 0.000 0.940 490 L N 3.558 124.774 121.223 -0.012 0.000 2.264 490 L HA 0.256 4.596 4.340 0.000 0.000 0.289 490 L C 0.961 177.837 176.870 0.009 0.000 1.044 490 L CA -0.588 54.257 54.840 0.008 0.000 0.807 490 L CB 0.621 42.688 42.059 0.013 0.000 1.192 490 L HN 0.494 nan 8.230 nan 0.000 0.425 491 E N 5.622 125.831 120.200 0.015 0.000 2.249 491 E HA 0.276 4.626 4.350 0.000 0.000 0.280 491 E C -0.758 175.846 176.600 0.007 0.000 1.016 491 E CA -0.673 55.729 56.400 0.004 0.000 0.830 491 E CB 1.384 31.082 29.700 -0.003 0.000 1.081 491 E HN 0.557 nan 8.360 nan 0.000 0.395 492 I N 4.124 124.688 120.570 -0.009 0.000 2.293 492 I HA 0.081 4.251 4.170 0.000 0.000 0.299 492 I C 0.607 176.687 176.117 -0.062 0.000 1.153 492 I CA -0.204 61.090 61.300 -0.010 0.000 1.302 492 I CB -0.058 37.934 38.000 -0.013 0.000 1.460 492 I HN 0.499 nan 8.210 nan 0.000 0.552 493 K N 5.116 125.463 120.400 -0.089 0.000 2.237 493 K HA 0.186 4.506 4.320 0.000 0.000 0.270 493 K C -0.217 176.106 176.600 -0.462 0.000 1.015 493 K CA -0.582 55.520 56.287 -0.309 0.000 0.949 493 K CB 0.790 33.028 32.500 -0.438 0.000 0.976 493 K HN 0.391 nan 8.250 nan 0.000 0.472 494 Q N 3.172 122.651 119.800 -0.535 0.000 2.278 494 Q HA 0.275 4.616 4.340 0.000 0.000 0.257 494 Q C -1.104 174.511 176.000 -0.641 0.000 0.928 494 Q CA -0.100 55.455 55.803 -0.414 0.000 0.932 494 Q CB 0.956 29.557 28.738 -0.228 0.000 1.221 494 Q HN 0.410 nan 8.270 nan 0.000 0.434 495 F N 0.501 120.384 119.950 -0.111 0.000 2.493 495 F HA 0.515 5.042 4.527 0.000 0.000 0.329 495 F C 0.509 176.239 175.800 -0.117 0.000 1.126 495 F CA -1.122 56.806 58.000 -0.121 0.000 0.937 495 F CB 1.454 40.361 39.000 -0.156 0.000 1.146 495 F HN 0.491 nan 8.300 nan 0.000 0.442 496 A N 2.812 125.676 122.820 0.073 0.000 2.511 496 A HA 0.134 4.454 4.320 0.000 0.000 0.242 496 A C 0.225 177.804 177.584 -0.008 0.000 1.069 496 A CA -0.416 51.632 52.037 0.019 0.000 0.763 496 A CB -0.102 18.911 19.000 0.021 0.000 1.001 496 A HN 0.896 nan 8.150 nan 0.000 0.498 497 N N 1.644 120.322 118.700 -0.036 0.000 2.671 497 N HA 0.064 4.804 4.740 0.000 0.000 0.274 497 N C 0.642 176.116 175.510 -0.060 0.000 1.188 497 N CA -0.172 52.836 53.050 -0.070 0.000 1.065 497 N CB 0.328 38.773 38.487 -0.069 0.000 1.415 497 N HN 0.668 nan 8.380 nan 0.000 0.511 498 R N 1.504 121.969 120.500 -0.058 0.000 2.823 498 R HA 0.115 4.455 4.340 0.000 0.000 0.250 498 R C -0.149 176.112 176.300 -0.065 0.000 1.332 498 R CA 0.054 56.130 56.100 -0.040 0.000 1.259 498 R CB -0.062 30.235 30.300 -0.005 0.000 1.225 498 R HN 0.475 nan 8.270 nan 0.000 0.545 499 Q N 0.528 120.277 119.800 -0.086 0.000 2.898 499 Q HA 0.124 4.464 4.340 0.000 0.000 0.228 499 Q C -2.958 172.979 176.000 -0.106 0.000 1.012 499 Q CA -1.305 54.438 55.803 -0.100 0.000 0.972 499 Q CB 1.892 30.548 28.738 -0.135 0.000 2.038 499 Q HN 0.135 nan 8.270 nan 0.000 0.497 500 P HA 0.114 nan 4.420 nan 0.000 0.275 500 P C -0.345 176.910 177.300 -0.074 0.000 1.227 500 P CA 0.334 63.392 63.100 -0.070 0.000 0.781 500 P CB 1.300 32.966 31.700 -0.057 0.000 0.906 501 A N 3.479 126.272 122.820 -0.046 0.000 1.930 501 A HA -0.017 4.303 4.320 0.000 0.000 0.217 501 A C 0.658 178.295 177.584 0.089 0.000 1.175 501 A CA 1.248 53.267 52.037 -0.031 0.000 0.627 501 A CB -0.593 18.381 19.000 -0.042 0.000 0.815 501 A HN 0.580 nan 8.150 nan 0.000 0.443 502 F N -1.632 118.270 119.950 -0.080 0.000 2.578 502 F HA 0.570 5.097 4.527 0.000 0.000 0.311 502 F C -1.251 174.527 175.800 -0.036 0.000 1.094 502 F CA -1.422 56.549 58.000 -0.049 0.000 0.923 502 F CB 2.207 41.185 39.000 -0.038 0.000 1.230 502 F HN -0.221 nan 8.300 nan 0.000 0.450 503 V N 4.538 124.043 119.914 -0.681 0.000 2.443 503 V HA 0.204 4.324 4.120 0.000 0.000 0.272 503 V C -0.343 175.277 176.094 -0.789 0.000 1.002 503 V CA -0.796 61.191 62.300 -0.523 0.000 0.840 503 V CB 1.053 32.710 31.823 -0.277 0.000 1.042 503 V HN 0.789 nan 8.190 nan 0.000 0.446 504 E N 2.384 122.102 120.200 -0.804 0.000 2.508 504 E HA 0.371 4.721 4.350 0.000 0.000 0.266 504 E C 0.655 177.108 176.600 -0.244 0.000 1.010 504 E CA 1.093 57.179 56.400 -0.523 0.000 0.955 504 E CB 0.821 30.458 29.700 -0.105 0.000 0.946 504 E HN 0.788 nan 8.360 nan 0.000 0.454 505 G N 0.000 108.732 108.800 -0.114 0.000 5.446 505 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 505 G CA 0.000 45.067 45.100 -0.056 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925