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 3htl_1_X DATA FIRST_RESID 53 DATA SEQUENCE ERTSIAVHAL XGLPTXXXXX XXXXXSIGLP KVDGXSFTLY RVNEIDLTTQ DATA SEQUENCE AGWDAASKIK LEELYTNGHP TDKVTKVATK KTEGGVAKFD NLTPALYLVV DATA SEQUENCE QELNGAEAVV RSQPFLVAAP QTNPTGDGWL QDVHVYPKHQ ALSEPVKTAV DATA SEQUENCE DPDATQPGFS VGENVKYRVA TKIPEIASNT KFEGFTVADK LPAELGKPDT DATA SEQUENCE NKITVTLGGK PINSTDVSVQ TYQVGDRTVL SVQLAGATLQ SLDQHKDQEL DATA SEQUENCE VVEFEAPVTK QPENGQLDNQ AWVLPSNPTA QWDPEESGDA ALRGXPSSRV DATA SEQUENCE SSKFGQITIE KSFDGNTPGA DRTATFQLHR cEADGSLVKS DPPISLDGKQ DATA SEQUENCE EFVTGQDGKA VLSGIHLGTL QLESNVXKYT DAWAGKGTEF cLVETATASG DATA SEQUENCE YELLPKPVIV KLEANESTNV LVEQKVKIDN KK 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 53 E HA 0.000 nan 4.350 nan 0.000 0.291 53 E C 0.000 176.577 176.600 -0.039 0.000 1.382 53 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 53 E CB 0.000 29.651 29.700 -0.081 0.000 0.812 54 R N 0.931 121.418 120.500 -0.021 0.000 2.490 54 R HA 0.487 4.827 4.340 0.000 0.000 0.278 54 R C 0.593 176.888 176.300 -0.009 0.000 1.069 54 R CA -0.252 55.842 56.100 -0.011 0.000 1.080 54 R CB 0.533 30.828 30.300 -0.009 0.000 1.030 54 R HN 0.669 nan 8.270 nan 0.000 0.491 55 T N -2.438 112.112 114.554 -0.007 0.000 2.927 55 T HA 0.705 5.055 4.350 0.000 0.000 0.286 55 T C -0.095 174.580 174.700 -0.043 0.000 1.040 55 T CA -0.806 61.288 62.100 -0.009 0.000 1.010 55 T CB 1.708 70.585 68.868 0.015 0.000 1.177 55 T HN 0.539 nan 8.240 nan 0.000 0.546 56 S N -0.269 115.394 115.700 -0.062 0.000 2.564 56 S HA 0.717 5.187 4.470 0.000 0.000 0.274 56 S C -1.272 173.245 174.600 -0.139 0.000 1.124 56 S CA -1.020 57.119 58.200 -0.101 0.000 0.869 56 S CB 1.051 64.198 63.200 -0.089 0.000 1.105 56 S HN 0.786 nan 8.310 nan 0.000 0.472 57 I N 1.960 122.440 120.570 -0.149 0.000 2.411 57 I HA 0.574 4.744 4.170 0.000 0.000 0.284 57 I C -0.021 176.010 176.117 -0.143 0.000 1.012 57 I CA -0.753 60.451 61.300 -0.160 0.000 1.119 57 I CB 1.664 39.542 38.000 -0.202 0.000 1.261 57 I HN 0.930 nan 8.210 nan 0.000 0.448 58 A N 6.963 129.604 122.820 -0.298 0.000 2.252 58 A HA 0.668 4.988 4.320 0.000 0.000 0.309 58 A C -0.450 176.862 177.584 -0.453 0.000 1.285 58 A CA -0.412 51.394 52.037 -0.385 0.000 0.900 58 A CB 0.606 19.325 19.000 -0.469 0.000 1.157 58 A HN 0.450 nan 8.150 nan 0.000 0.536 59 V N 5.327 124.969 119.914 -0.454 0.000 2.350 59 V HA 0.254 4.374 4.120 0.000 0.000 0.276 59 V C -0.311 175.433 176.094 -0.583 0.000 1.028 59 V CA -0.502 61.505 62.300 -0.489 0.000 0.860 59 V CB 0.640 32.112 31.823 -0.585 0.000 0.990 59 V HN 0.835 nan 8.190 nan 0.000 0.453 60 H N 3.957 122.856 119.070 -0.285 0.000 2.597 60 H HA 0.502 5.058 4.556 0.000 0.000 0.303 60 H C 0.216 175.549 175.328 0.009 0.000 1.057 60 H CA -0.325 55.647 56.048 -0.126 0.000 1.261 60 H CB 1.735 31.400 29.762 -0.162 0.000 1.397 60 H HN 0.710 nan 8.280 nan 0.000 0.461 61 A N 5.423 128.384 122.820 0.235 0.000 2.415 61 A HA 0.305 4.625 4.320 0.000 0.000 0.309 61 A C -0.049 177.755 177.584 0.367 0.000 1.356 61 A CA -0.432 51.850 52.037 0.409 0.000 0.998 61 A CB -0.331 18.994 19.000 0.541 0.000 1.145 61 A HN 0.388 nan 8.150 nan 0.000 0.545 65 L N 1.811 123.006 121.223 -0.047 0.000 2.289 65 L HA 0.441 4.781 4.340 0.000 0.000 0.285 65 L C -1.831 175.016 176.870 -0.039 0.000 1.049 65 L CA -1.736 53.081 54.840 -0.039 0.000 0.804 65 L CB 1.754 43.796 42.059 -0.028 0.000 1.195 65 L HN 0.289 nan 8.230 nan 0.000 0.428 66 P HA 0.062 nan 4.420 nan 0.000 0.271 66 P C -0.032 177.248 177.300 -0.034 0.000 1.226 66 P CA -0.167 62.910 63.100 -0.039 0.000 0.765 66 P CB 0.962 32.638 31.700 -0.040 0.000 0.835 79 I N 0.370 120.788 120.570 -0.255 0.000 2.761 79 I HA 0.001 4.171 4.170 0.000 0.000 0.266 79 I C 1.701 177.710 176.117 -0.180 0.000 1.239 79 I CA 1.879 62.967 61.300 -0.353 0.000 1.451 79 I CB -1.823 35.813 38.000 -0.607 0.000 1.096 79 I HN 0.330 nan 8.210 nan 0.000 0.465 80 G N 1.728 110.455 108.800 -0.122 0.000 2.572 80 G HA2 0.134 4.094 3.960 0.000 0.000 0.216 80 G HA3 0.134 4.094 3.960 0.000 0.000 0.216 80 G C 0.967 175.841 174.900 -0.042 0.000 1.133 80 G CA -0.312 44.744 45.100 -0.074 0.000 0.791 80 G HN 0.344 nan 8.290 nan 0.000 0.538 81 L N 1.831 123.031 121.223 -0.037 0.000 2.499 81 L HA 0.176 4.516 4.340 0.000 0.000 0.281 81 L C -1.490 175.384 176.870 0.008 0.000 1.234 81 L CA -1.492 53.337 54.840 -0.018 0.000 0.839 81 L CB 0.182 42.226 42.059 -0.023 0.000 1.104 81 L HN 0.032 nan 8.230 nan 0.000 0.500 82 P HA 0.076 nan 4.420 nan 0.000 0.268 82 P C -1.066 176.277 177.300 0.072 0.000 1.204 82 P CA -0.058 63.065 63.100 0.038 0.000 0.768 82 P CB 0.504 32.224 31.700 0.034 0.000 0.842 83 K N 1.236 121.697 120.400 0.101 0.000 2.118 83 K HA 0.473 4.793 4.320 0.000 0.000 0.264 83 K C -0.429 176.267 176.600 0.160 0.000 1.000 83 K CA -0.833 55.547 56.287 0.155 0.000 0.929 83 K CB 0.972 33.575 32.500 0.171 0.000 1.021 83 K HN 0.206 nan 8.250 nan 0.000 0.463 84 V N 2.700 122.742 119.914 0.214 0.000 2.588 84 V HA 0.140 4.260 4.120 0.000 0.000 0.304 84 V C -0.492 175.698 176.094 0.160 0.000 1.042 84 V CA -1.067 61.355 62.300 0.203 0.000 0.877 84 V CB 1.814 33.823 31.823 0.309 0.000 0.996 84 V HN 0.731 nan 8.190 nan 0.000 0.425 85 D N 2.600 123.066 120.400 0.111 0.000 2.329 85 D HA 0.561 5.201 4.640 0.000 0.000 0.246 85 D C 0.685 177.021 176.300 0.061 0.000 1.111 85 D CA 1.131 55.180 54.000 0.081 0.000 0.941 85 D CB 1.632 42.468 40.800 0.060 0.000 1.169 85 D HN 1.027 nan 8.370 nan 0.000 0.441 89 F N 1.861 121.858 119.950 0.079 0.000 2.576 89 F HA 0.607 5.134 4.527 0.000 0.000 0.313 89 F C 0.481 176.348 175.800 0.111 0.000 1.078 89 F CA -0.509 57.553 58.000 0.103 0.000 0.921 89 F CB 2.641 41.741 39.000 0.166 0.000 1.232 89 F HN 0.408 nan 8.300 nan 0.000 0.459 90 T N 3.504 118.158 114.554 0.168 0.000 2.823 90 T HA 0.509 4.859 4.350 0.000 0.000 0.279 90 T C -1.133 173.400 174.700 -0.278 0.000 0.998 90 T CA -0.469 61.592 62.100 -0.065 0.000 0.994 90 T CB 1.489 70.263 68.868 -0.155 0.000 0.960 90 T HN 0.365 nan 8.240 nan 0.000 0.448 91 L N 4.154 125.026 121.223 -0.585 0.000 2.275 91 L HA 0.538 4.878 4.340 0.000 0.000 0.288 91 L C -1.521 175.047 176.870 -0.504 0.000 1.046 91 L CA -0.376 54.061 54.840 -0.671 0.000 0.805 91 L CB 0.086 41.435 42.059 -1.183 0.000 1.193 91 L HN 0.588 nan 8.230 nan 0.000 0.426 92 Y N 3.777 124.013 120.300 -0.105 0.000 2.468 92 Y HA 0.575 5.125 4.550 0.000 0.000 0.342 92 Y C 0.071 176.000 175.900 0.049 0.000 1.021 92 Y CA -0.656 57.433 58.100 -0.017 0.000 1.079 92 Y CB 1.500 39.944 38.460 -0.026 0.000 1.226 92 Y HN 0.514 nan 8.280 nan 0.000 0.460 93 R N 1.363 121.951 120.500 0.146 0.000 2.349 93 R HA 0.589 4.929 4.340 0.000 0.000 0.299 93 R C -1.540 174.699 176.300 -0.101 0.000 1.027 93 R CA -0.534 55.486 56.100 -0.133 0.000 0.958 93 R CB 0.767 30.961 30.300 -0.177 0.000 1.047 93 R HN 0.569 nan 8.270 nan 0.000 0.468 94 V N 5.511 125.312 119.914 -0.188 0.000 2.427 94 V HA 0.064 4.184 4.120 0.000 0.000 0.268 94 V C 0.044 176.070 176.094 -0.113 0.000 1.046 94 V CA -0.586 61.644 62.300 -0.118 0.000 0.970 94 V CB 0.648 32.401 31.823 -0.117 0.000 1.001 94 V HN 0.787 nan 8.190 nan 0.000 0.476 95 N N 4.193 122.852 118.700 -0.069 0.000 2.454 95 N HA 0.075 4.815 4.740 0.000 0.000 0.254 95 N C 0.571 176.049 175.510 -0.053 0.000 1.228 95 N CA 0.125 53.141 53.050 -0.055 0.000 0.900 95 N CB 0.154 38.621 38.487 -0.033 0.000 1.089 95 N HN 0.771 nan 8.380 nan 0.000 0.449 96 E N -0.277 119.895 120.200 -0.047 0.000 2.320 96 E HA -0.184 4.166 4.350 0.000 0.000 0.234 96 E C -0.798 175.783 176.600 -0.032 0.000 1.183 96 E CA 0.431 56.811 56.400 -0.033 0.000 0.713 96 E CB -0.878 28.807 29.700 -0.024 0.000 1.226 96 E HN 0.354 nan 8.360 nan 0.000 0.382 97 I N 1.285 121.828 120.570 -0.044 0.000 2.468 97 I HA 0.225 4.395 4.170 0.000 0.000 0.285 97 I C -0.291 175.812 176.117 -0.024 0.000 1.039 97 I CA -0.526 60.755 61.300 -0.033 0.000 1.074 97 I CB 1.704 39.671 38.000 -0.056 0.000 1.228 97 I HN -0.013 nan 8.210 nan 0.000 0.436 98 D N 7.022 127.429 120.400 0.011 0.000 2.441 98 D HA 0.327 4.967 4.640 0.000 0.000 0.231 98 D C 0.819 177.170 176.300 0.085 0.000 1.073 98 D CA -0.365 53.651 54.000 0.027 0.000 0.850 98 D CB 1.378 42.190 40.800 0.020 0.000 1.062 98 D HN 0.414 nan 8.370 nan 0.000 0.524 99 L N 2.583 123.877 121.223 0.117 0.000 2.551 99 L HA -0.054 4.287 4.340 0.000 0.000 0.228 99 L C 2.251 179.276 176.870 0.258 0.000 1.153 99 L CA 0.980 55.981 54.840 0.268 0.000 0.851 99 L CB -0.319 41.929 42.059 0.315 0.000 0.959 99 L HN 0.451 nan 8.230 nan 0.000 0.451 100 T N -4.435 110.193 114.554 0.125 0.000 3.088 100 T HA -0.022 4.328 4.350 0.000 0.000 0.259 100 T C 0.949 175.681 174.700 0.055 0.000 1.122 100 T CA 0.472 62.612 62.100 0.067 0.000 1.095 100 T CB -0.485 68.390 68.868 0.012 0.000 0.930 100 T HN 0.346 nan 8.240 nan 0.000 0.508 101 T N -1.498 113.106 114.554 0.083 0.000 2.945 101 T HA 0.487 4.837 4.350 0.000 0.000 0.286 101 T C 0.805 175.572 174.700 0.112 0.000 1.025 101 T CA -0.771 61.371 62.100 0.069 0.000 1.039 101 T CB 2.118 71.019 68.868 0.056 0.000 1.068 101 T HN -0.054 nan 8.240 nan 0.000 0.497 102 Q N 1.108 120.957 119.800 0.081 0.000 2.172 102 Q HA 0.143 4.483 4.340 0.000 0.000 0.200 102 Q C 2.292 178.378 176.000 0.142 0.000 0.964 102 Q CA 2.048 57.918 55.803 0.111 0.000 0.855 102 Q CB -0.977 27.797 28.738 0.059 0.000 0.918 102 Q HN 0.916 nan 8.270 nan 0.000 0.444 103 A N -0.339 122.539 122.820 0.097 0.000 1.877 103 A HA -0.063 4.257 4.320 0.000 0.000 0.216 103 A C 2.266 179.905 177.584 0.091 0.000 1.186 103 A CA 1.690 53.775 52.037 0.079 0.000 0.620 103 A CB -1.366 17.664 19.000 0.049 0.000 0.822 103 A HN 0.526 nan 8.150 nan 0.000 0.443 104 G N -1.842 107.021 108.800 0.106 0.000 2.402 104 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 104 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 104 G C 1.528 176.512 174.900 0.141 0.000 1.162 104 G CA 0.834 45.993 45.100 0.099 0.000 0.777 104 G HN 0.649 nan 8.290 nan 0.000 0.539 105 W N 1.615 122.924 121.300 0.015 0.000 2.381 105 W HA -0.073 4.588 4.660 0.000 0.000 0.301 105 W C 1.469 178.000 176.519 0.019 0.000 1.205 105 W CA 1.546 58.905 57.345 0.023 0.000 1.285 105 W CB 0.044 29.524 29.460 0.032 0.000 1.133 105 W HN 0.217 nan 8.180 nan 0.000 0.521 106 D N 0.265 120.778 120.400 0.189 0.000 2.178 106 D HA -0.095 4.545 4.640 0.000 0.000 0.202 106 D C 2.312 178.611 176.300 -0.001 0.000 0.974 106 D CA 1.655 55.705 54.000 0.083 0.000 0.841 106 D CB -0.748 40.116 40.800 0.106 0.000 0.953 106 D HN 0.126 nan 8.370 nan 0.000 0.478 107 A N 1.037 123.858 122.820 0.002 0.000 1.898 107 A HA -0.007 4.313 4.320 0.000 0.000 0.216 107 A C 2.284 179.826 177.584 -0.071 0.000 1.181 107 A CA 1.974 53.996 52.037 -0.025 0.000 0.620 107 A CB -0.621 18.372 19.000 -0.011 0.000 0.819 107 A HN 0.228 nan 8.150 nan 0.000 0.442 108 A N 0.029 122.777 122.820 -0.121 0.000 2.014 108 A HA -0.011 4.309 4.320 0.000 0.000 0.218 108 A C 2.366 179.821 177.584 -0.214 0.000 1.163 108 A CA 1.937 53.867 52.037 -0.179 0.000 0.652 108 A CB -0.726 18.125 19.000 -0.248 0.000 0.808 108 A HN 0.991 nan 8.150 nan 0.000 0.449 109 S N -0.489 115.064 115.700 -0.246 0.000 2.561 109 S HA -0.039 4.431 4.470 0.000 0.000 0.225 109 S C 1.720 176.261 174.600 -0.098 0.000 0.977 109 S CA 1.105 59.190 58.200 -0.193 0.000 0.926 109 S CB -0.020 63.063 63.200 -0.194 0.000 0.769 109 S HN 0.519 nan 8.310 nan 0.000 0.533 110 K N 1.623 121.976 120.400 -0.078 0.000 2.352 110 K HA 0.246 4.566 4.320 0.000 0.000 0.194 110 K C 0.446 177.022 176.600 -0.040 0.000 1.038 110 K CA -0.160 56.100 56.287 -0.045 0.000 1.023 110 K CB -0.424 32.057 32.500 -0.030 0.000 0.840 110 K HN 0.501 nan 8.250 nan 0.000 0.519 111 I N 3.045 123.584 120.570 -0.052 0.000 2.710 111 I HA -0.069 4.101 4.170 0.000 0.000 0.286 111 I C 0.165 176.266 176.117 -0.027 0.000 1.181 111 I CA 0.401 61.676 61.300 -0.040 0.000 1.430 111 I CB 0.400 38.369 38.000 -0.050 0.000 1.367 111 I HN -0.027 nan 8.210 nan 0.000 0.577 112 K N 6.023 126.413 120.400 -0.017 0.000 2.235 112 K HA 0.340 4.660 4.320 0.000 0.000 0.266 112 K C 0.637 177.238 176.600 0.001 0.000 0.980 112 K CA -0.611 55.673 56.287 -0.006 0.000 0.849 112 K CB 1.826 34.325 32.500 -0.002 0.000 1.098 112 K HN 0.512 nan 8.250 nan 0.000 0.445 113 L N 2.658 123.887 121.223 0.011 0.000 2.127 113 L HA -0.253 4.087 4.340 0.000 0.000 0.211 113 L C 2.364 179.261 176.870 0.045 0.000 1.089 113 L CA 1.321 56.174 54.840 0.022 0.000 0.757 113 L CB -0.341 41.736 42.059 0.030 0.000 0.899 113 L HN 0.745 nan 8.230 nan 0.000 0.434 114 E N 0.547 120.771 120.200 0.040 0.000 2.160 114 E HA -0.281 4.069 4.350 0.000 0.000 0.195 114 E C 1.530 178.141 176.600 0.019 0.000 0.991 114 E CA 1.513 57.937 56.400 0.040 0.000 0.810 114 E CB -0.391 29.324 29.700 0.026 0.000 0.742 114 E HN 0.631 nan 8.360 nan 0.000 0.466 115 E N 0.761 120.964 120.200 0.006 0.000 2.150 115 E HA -0.056 4.294 4.350 0.000 0.000 0.193 115 E C 2.229 178.820 176.600 -0.014 0.000 0.985 115 E CA 0.924 57.319 56.400 -0.009 0.000 0.814 115 E CB -0.034 29.658 29.700 -0.014 0.000 0.752 115 E HN 0.325 nan 8.360 nan 0.000 0.466 116 L N -1.034 120.189 121.223 -0.001 0.000 2.354 116 L HA 0.142 4.482 4.340 0.000 0.000 0.212 116 L C 0.081 176.963 176.870 0.019 0.000 1.091 116 L CA 0.124 54.956 54.840 -0.014 0.000 0.828 116 L CB 0.428 42.472 42.059 -0.024 0.000 0.973 116 L HN 0.107 nan 8.230 nan 0.000 0.461 117 Y N -0.370 119.865 120.300 -0.108 0.000 2.376 117 Y HA 0.460 5.011 4.550 0.000 0.000 0.321 117 Y C -0.866 175.001 175.900 -0.055 0.000 1.189 117 Y CA -0.900 57.132 58.100 -0.114 0.000 1.069 117 Y CB 1.678 40.044 38.460 -0.155 0.000 1.292 117 Y HN -0.204 nan 8.280 nan 0.000 0.430 118 T N 4.505 118.913 114.554 -0.243 0.000 2.840 118 T HA 0.291 4.641 4.350 0.000 0.000 0.317 118 T C -0.809 173.778 174.700 -0.189 0.000 1.401 118 T CA -0.177 61.862 62.100 -0.102 0.000 1.028 118 T CB 1.169 70.014 68.868 -0.038 0.000 1.317 118 T HN 0.856 nan 8.240 nan 0.000 0.495 119 N N 1.184 119.847 118.700 -0.062 0.000 2.716 119 N HA -0.193 4.547 4.740 0.000 0.000 0.250 119 N C 0.830 176.351 175.510 0.018 0.000 1.033 119 N CA 2.631 55.666 53.050 -0.024 0.000 0.727 119 N CB -1.374 37.089 38.487 -0.041 0.000 0.950 119 N HN 1.737 nan 8.380 nan 0.000 0.541 120 G N -1.318 107.433 108.800 -0.081 0.000 2.153 120 G HA2 -0.309 3.651 3.960 0.000 0.000 0.252 120 G HA3 -0.309 3.651 3.960 0.000 0.000 0.252 120 G C -0.209 174.314 174.900 -0.630 0.000 0.994 120 G CA 0.839 45.854 45.100 -0.142 0.000 0.698 120 G HN 0.903 nan 8.290 nan 0.000 0.521 121 H N -0.650 117.859 119.070 -0.935 0.000 2.996 121 H HA 0.531 5.087 4.556 0.000 0.000 0.368 121 H C -2.613 172.221 175.328 -0.823 0.000 1.185 121 H CA -1.205 54.432 56.048 -0.684 0.000 1.160 121 H CB 2.419 31.992 29.762 -0.315 0.000 1.820 121 H HN 0.089 nan 8.280 nan 0.000 0.547 122 P HA 0.067 nan 4.420 nan 0.000 0.276 122 P C 0.062 177.256 177.300 -0.176 0.000 1.230 122 P CA -0.364 62.560 63.100 -0.294 0.000 0.776 122 P CB 1.116 32.555 31.700 -0.436 0.000 0.888 123 T N -0.773 113.693 114.554 -0.146 0.000 2.814 123 T HA 0.135 4.485 4.350 0.000 0.000 0.284 123 T C 1.051 175.712 174.700 -0.064 0.000 0.998 123 T CA -0.102 61.944 62.100 -0.091 0.000 0.935 123 T CB -0.127 68.698 68.868 -0.071 0.000 1.167 123 T HN 0.342 nan 8.240 nan 0.000 0.545 124 D N -0.839 119.534 120.400 -0.044 0.000 2.310 124 D HA -0.069 4.571 4.640 0.000 0.000 0.212 124 D C 1.534 177.819 176.300 -0.025 0.000 0.965 124 D CA 0.769 54.754 54.000 -0.027 0.000 0.879 124 D CB -0.329 40.457 40.800 -0.023 0.000 0.921 124 D HN 0.609 nan 8.370 nan 0.000 0.510 125 K N 0.157 120.535 120.400 -0.036 0.000 2.442 125 K HA 0.038 4.358 4.320 0.000 0.000 0.198 125 K C 0.665 177.244 176.600 -0.034 0.000 1.042 125 K CA 0.604 56.871 56.287 -0.034 0.000 0.958 125 K CB 0.170 32.647 32.500 -0.038 0.000 0.766 125 K HN 0.323 nan 8.250 nan 0.000 0.474 126 V N -2.801 117.093 119.914 -0.033 0.000 3.074 126 V HA 0.526 4.646 4.120 0.000 0.000 0.314 126 V C -0.647 175.491 176.094 0.073 0.000 1.117 126 V CA -0.841 61.458 62.300 -0.001 0.000 1.014 126 V CB 2.164 33.954 31.823 -0.056 0.000 1.057 126 V HN -0.159 nan 8.190 nan 0.000 0.438 127 T N 2.035 116.678 114.554 0.148 0.000 2.879 127 T HA 0.425 4.775 4.350 0.000 0.000 0.290 127 T C -0.515 174.327 174.700 0.237 0.000 0.993 127 T CA -0.550 61.650 62.100 0.166 0.000 0.975 127 T CB 1.374 70.285 68.868 0.072 0.000 0.981 127 T HN 1.029 nan 8.240 nan 0.000 0.439 128 K N 2.582 123.110 120.400 0.213 0.000 2.401 128 K HA 0.296 4.616 4.320 0.000 0.000 0.278 128 K C 0.397 176.938 176.600 -0.098 0.000 1.018 128 K CA -0.148 56.069 56.287 -0.117 0.000 0.981 128 K CB 0.403 32.816 32.500 -0.145 0.000 0.933 128 K HN 0.343 nan 8.250 nan 0.000 0.477 129 V N 2.686 122.497 119.914 -0.172 0.000 2.721 129 V HA 0.316 4.436 4.120 0.000 0.000 0.236 129 V C 0.297 176.350 176.094 -0.068 0.000 1.116 129 V CA 0.934 63.188 62.300 -0.077 0.000 1.148 129 V CB 0.191 31.983 31.823 -0.052 0.000 0.886 129 V HN 0.933 nan 8.190 nan 0.000 0.490 130 A N -1.132 121.624 122.820 -0.106 0.000 2.586 130 A HA 0.698 5.018 4.320 0.000 0.000 0.290 130 A C -0.833 176.804 177.584 0.087 0.000 1.086 130 A CA 0.106 52.166 52.037 0.038 0.000 0.665 130 A CB 1.685 20.800 19.000 0.191 0.000 1.279 130 A HN 0.061 nan 8.150 nan 0.000 0.423 131 T N -0.084 114.557 114.554 0.146 0.000 2.916 131 T HA 0.710 5.060 4.350 0.000 0.000 0.298 131 T C -1.044 173.741 174.700 0.141 0.000 1.031 131 T CA -0.380 61.819 62.100 0.164 0.000 0.993 131 T CB 0.975 69.872 68.868 0.048 0.000 1.045 131 T HN 0.861 nan 8.240 nan 0.000 0.454 132 K N 2.718 123.211 120.400 0.155 0.000 2.568 132 K HA 0.504 4.825 4.320 0.000 0.000 0.273 132 K C -1.350 175.280 176.600 0.051 0.000 0.951 132 K CA -0.845 55.438 56.287 -0.007 0.000 0.854 132 K CB 1.705 34.011 32.500 -0.323 0.000 1.424 132 K HN 0.504 nan 8.250 nan 0.000 0.427 133 K N 1.123 121.524 120.400 0.002 0.000 2.123 133 K HA 0.269 4.589 4.320 0.000 0.000 0.259 133 K C -0.597 176.019 176.600 0.026 0.000 0.960 133 K CA -0.771 55.538 56.287 0.038 0.000 0.872 133 K CB 1.558 34.066 32.500 0.013 0.000 1.079 133 K HN 0.700 nan 8.250 nan 0.000 0.440 134 T N -0.215 114.392 114.554 0.089 0.000 2.916 134 T HA 0.124 4.474 4.350 0.000 0.000 0.303 134 T C -0.142 174.574 174.700 0.027 0.000 1.025 134 T CA -0.429 61.706 62.100 0.059 0.000 1.142 134 T CB 0.455 69.403 68.868 0.133 0.000 0.947 134 T HN 0.472 nan 8.240 nan 0.000 0.544 135 E N 0.875 121.075 120.200 0.000 0.000 2.246 135 E HA 0.513 4.863 4.350 0.000 0.000 0.266 135 E C 0.734 177.345 176.600 0.018 0.000 0.880 135 E CA -0.904 55.499 56.400 0.005 0.000 0.762 135 E CB 1.564 31.253 29.700 -0.018 0.000 1.180 135 E HN 1.039 nan 8.360 nan 0.000 0.416 136 G N 2.159 110.981 108.800 0.037 0.000 2.225 136 G HA2 -0.292 3.668 3.960 0.000 0.000 0.267 136 G HA3 -0.292 3.668 3.960 0.000 0.000 0.267 136 G C 0.912 175.863 174.900 0.084 0.000 1.024 136 G CA 0.677 45.809 45.100 0.053 0.000 0.784 136 G HN 1.225 nan 8.290 nan 0.000 0.507 137 G N -3.059 105.797 108.800 0.093 0.000 2.217 137 G HA2 0.057 4.017 3.960 0.000 0.000 0.246 137 G HA3 0.057 4.017 3.960 0.000 0.000 0.246 137 G C 0.687 175.664 174.900 0.127 0.000 0.990 137 G CA 1.153 46.337 45.100 0.140 0.000 0.627 137 G HN 2.083 nan 8.290 nan 0.000 0.522 138 V N 0.421 120.355 119.914 0.033 0.000 2.656 138 V HA 0.866 4.986 4.120 0.000 0.000 0.307 138 V C -0.216 175.777 176.094 -0.169 0.000 1.051 138 V CA 0.071 62.281 62.300 -0.149 0.000 0.893 138 V CB 1.848 33.554 31.823 -0.195 0.000 0.999 138 V HN 1.578 nan 8.190 nan 0.000 0.426 139 A N 6.110 128.778 122.820 -0.253 0.000 2.267 139 A HA 0.644 4.964 4.320 0.000 0.000 0.315 139 A C -0.362 176.953 177.584 -0.449 0.000 1.297 139 A CA -0.582 51.267 52.037 -0.312 0.000 0.865 139 A CB 0.518 19.395 19.000 -0.206 0.000 1.165 139 A HN 0.788 nan 8.150 nan 0.000 0.513 140 K N 2.931 123.054 120.400 -0.462 0.000 2.263 140 K HA 0.520 4.840 4.320 0.000 0.000 0.272 140 K C -1.668 174.643 176.600 -0.482 0.000 1.033 140 K CA -0.294 55.767 56.287 -0.377 0.000 0.884 140 K CB 0.451 32.809 32.500 -0.235 0.000 1.107 140 K HN 0.547 nan 8.250 nan 0.000 0.460 141 F N 3.259 123.090 119.950 -0.199 0.000 2.334 141 F HA 0.206 4.733 4.527 0.000 0.000 0.367 141 F C 0.617 176.303 175.800 -0.190 0.000 1.115 141 F CA -0.661 57.224 58.000 -0.192 0.000 1.116 141 F CB 0.855 39.708 39.000 -0.245 0.000 1.230 141 F HN 0.470 nan 8.300 nan 0.000 0.484 142 D N 1.275 121.660 120.400 -0.026 0.000 2.440 142 D HA 0.171 4.811 4.640 0.000 0.000 0.258 142 D C 0.169 176.452 176.300 -0.029 0.000 1.092 142 D CA -0.367 53.606 54.000 -0.044 0.000 1.016 142 D CB 0.913 41.680 40.800 -0.054 0.000 1.141 142 D HN 0.428 nan 8.370 nan 0.000 0.552 143 N N 0.210 118.894 118.700 -0.028 0.000 2.714 143 N HA -0.188 4.552 4.740 0.000 0.000 0.253 143 N C -1.278 174.227 175.510 -0.010 0.000 1.024 143 N CA 0.451 53.492 53.050 -0.015 0.000 0.726 143 N CB -1.284 37.197 38.487 -0.010 0.000 0.908 143 N HN 0.326 nan 8.380 nan 0.000 0.542 144 L N 0.077 121.287 121.223 -0.021 0.000 2.322 144 L HA 0.472 4.812 4.340 0.000 0.000 0.279 144 L C 1.263 178.167 176.870 0.055 0.000 1.036 144 L CA -0.818 54.021 54.840 -0.002 0.000 0.807 144 L CB 1.530 43.509 42.059 -0.133 0.000 1.226 144 L HN 0.310 nan 8.230 nan 0.000 0.433 145 T N -0.258 114.363 114.554 0.112 0.000 2.910 145 T HA 0.362 4.712 4.350 0.000 0.000 0.293 145 T C -2.485 172.296 174.700 0.134 0.000 1.015 145 T CA -1.718 60.433 62.100 0.086 0.000 1.094 145 T CB 0.986 69.891 68.868 0.062 0.000 0.968 145 T HN 0.234 nan 8.240 nan 0.000 0.521 146 P HA 0.461 nan 4.420 nan 0.000 0.263 146 P C -0.715 176.608 177.300 0.038 0.000 1.195 146 P CA 0.163 63.302 63.100 0.065 0.000 0.762 146 P CB 0.362 32.050 31.700 -0.020 0.000 0.799 147 A N 3.186 126.031 122.820 0.042 0.000 2.540 147 A HA 0.547 4.867 4.320 0.000 0.000 0.291 147 A C -1.843 175.612 177.584 -0.216 0.000 1.083 147 A CA -0.602 51.316 52.037 -0.200 0.000 0.650 147 A CB 0.413 19.091 19.000 -0.537 0.000 1.292 147 A HN 0.441 nan 8.150 nan 0.000 0.435 148 L N 0.844 121.895 121.223 -0.288 0.000 2.305 148 L HA 0.691 5.031 4.340 0.000 0.000 0.281 148 L C -1.323 175.295 176.870 -0.421 0.000 1.085 148 L CA 0.173 54.887 54.840 -0.210 0.000 0.813 148 L CB 0.063 42.041 42.059 -0.135 0.000 1.157 148 L HN 0.565 nan 8.230 nan 0.000 0.436 149 Y N 4.458 124.718 120.300 -0.066 0.000 2.549 149 Y HA 0.646 5.196 4.550 0.000 0.000 0.339 149 Y C -0.645 175.167 175.900 -0.146 0.000 1.053 149 Y CA -0.787 57.249 58.100 -0.106 0.000 1.105 149 Y CB 1.914 40.283 38.460 -0.151 0.000 1.258 149 Y HN 0.503 nan 8.280 nan 0.000 0.478 150 L N 2.063 123.299 121.223 0.022 0.000 2.356 150 L HA 0.746 5.086 4.340 0.000 0.000 0.277 150 L C -1.574 175.192 176.870 -0.174 0.000 0.996 150 L CA -0.583 54.191 54.840 -0.110 0.000 0.822 150 L CB 1.460 43.482 42.059 -0.061 0.000 1.256 150 L HN 0.436 nan 8.230 nan 0.000 0.413 151 V N 5.847 125.464 119.914 -0.496 0.000 2.398 151 V HA 0.519 4.639 4.120 0.000 0.000 0.286 151 V C -0.510 175.416 176.094 -0.280 0.000 1.026 151 V CA -0.559 61.443 62.300 -0.497 0.000 0.868 151 V CB 1.769 33.052 31.823 -0.901 0.000 0.982 151 V HN 0.519 nan 8.190 nan 0.000 0.443 152 V N 5.277 125.192 119.914 0.002 0.000 2.376 152 V HA 0.339 4.459 4.120 0.000 0.000 0.287 152 V C 0.068 176.234 176.094 0.120 0.000 1.015 152 V CA -0.567 61.740 62.300 0.011 0.000 0.834 152 V CB 1.510 33.344 31.823 0.018 0.000 1.001 152 V HN 0.954 nan 8.190 nan 0.000 0.428 153 Q N 3.691 123.545 119.800 0.090 0.000 2.337 153 Q HA 0.195 4.535 4.340 0.000 0.000 0.270 153 Q C -0.215 175.662 176.000 -0.206 0.000 1.002 153 Q CA 0.035 55.656 55.803 -0.304 0.000 0.888 153 Q CB 0.825 29.359 28.738 -0.340 0.000 1.222 153 Q HN 0.652 nan 8.270 nan 0.000 0.400 154 E N 3.374 123.419 120.200 -0.259 0.000 2.239 154 E HA 0.174 4.524 4.350 0.000 0.000 0.261 154 E C 0.170 176.681 176.600 -0.148 0.000 1.016 154 E CA -0.512 55.806 56.400 -0.137 0.000 0.882 154 E CB 0.894 30.539 29.700 -0.092 0.000 1.190 154 E HN 0.692 nan 8.360 nan 0.000 0.415 155 L N 1.280 122.444 121.223 -0.099 0.000 2.628 155 L HA 0.037 4.377 4.340 0.000 0.000 0.229 155 L C 0.955 177.782 176.870 -0.073 0.000 1.137 155 L CA 0.137 54.921 54.840 -0.093 0.000 0.909 155 L CB -0.121 41.880 42.059 -0.096 0.000 1.137 155 L HN 0.320 nan 8.230 nan 0.000 0.470 156 N N -0.075 118.585 118.700 -0.066 0.000 2.380 156 N HA 0.067 4.807 4.740 0.000 0.000 0.255 156 N C 0.450 175.937 175.510 -0.039 0.000 1.158 156 N CA -0.155 52.874 53.050 -0.035 0.000 0.878 156 N CB -0.001 38.473 38.487 -0.021 0.000 1.138 156 N HN 0.017 nan 8.380 nan 0.000 0.509 157 G N -0.586 108.174 108.800 -0.067 0.000 2.653 157 G HA2 0.425 4.385 3.960 0.000 0.000 0.265 157 G HA3 0.425 4.385 3.960 0.000 0.000 0.265 157 G C 0.909 175.799 174.900 -0.016 0.000 1.237 157 G CA -0.063 44.997 45.100 -0.067 0.000 0.946 157 G HN 0.304 nan 8.290 nan 0.000 0.522 158 A N -0.887 121.929 122.820 -0.006 0.000 1.969 158 A HA 0.143 4.463 4.320 0.000 0.000 0.218 158 A C 1.094 178.706 177.584 0.047 0.000 1.169 158 A CA 1.221 53.273 52.037 0.026 0.000 0.635 158 A CB -0.193 18.823 19.000 0.026 0.000 0.810 158 A HN 0.670 nan 8.150 nan 0.000 0.445 159 E N -1.292 118.924 120.200 0.028 0.000 2.277 159 E HA 0.600 4.950 4.350 0.000 0.000 0.266 159 E C -0.780 175.837 176.600 0.028 0.000 0.901 159 E CA -0.758 55.671 56.400 0.048 0.000 0.782 159 E CB 1.772 31.498 29.700 0.044 0.000 1.228 159 E HN 0.273 nan 8.360 nan 0.000 0.424 160 A N 1.616 124.476 122.820 0.065 0.000 2.409 160 A HA 0.480 4.800 4.320 0.000 0.000 0.262 160 A C 0.059 177.667 177.584 0.040 0.000 1.113 160 A CA -0.352 51.715 52.037 0.049 0.000 0.790 160 A CB -0.068 18.986 19.000 0.090 0.000 1.046 160 A HN 0.416 nan 8.150 nan 0.000 0.496 161 V N 0.367 120.289 119.914 0.012 0.000 3.160 161 V HA 0.710 4.830 4.120 0.000 0.000 0.310 161 V C -0.271 175.868 176.094 0.074 0.000 1.181 161 V CA -0.922 61.412 62.300 0.057 0.000 1.047 161 V CB 1.564 33.384 31.823 -0.005 0.000 1.068 161 V HN 0.580 nan 8.190 nan 0.000 0.441 162 V N 3.436 123.428 119.914 0.130 0.000 2.370 162 V HA 0.335 4.455 4.120 0.000 0.000 0.257 162 V C 0.924 177.071 176.094 0.090 0.000 1.064 162 V CA -0.230 62.131 62.300 0.103 0.000 0.975 162 V CB -0.254 31.611 31.823 0.070 0.000 1.067 162 V HN 1.070 nan 8.190 nan 0.000 0.485 163 R N 3.402 123.930 120.500 0.047 0.000 2.615 163 R HA 0.422 4.762 4.340 0.000 0.000 0.270 163 R C 0.112 176.455 176.300 0.072 0.000 1.081 163 R CA -0.490 55.631 56.100 0.035 0.000 1.154 163 R CB 0.316 30.594 30.300 -0.038 0.000 1.063 163 R HN 0.472 nan 8.270 nan 0.000 0.519 164 S N 1.541 117.313 115.700 0.119 0.000 2.562 164 S HA -0.003 4.467 4.470 0.000 0.000 0.281 164 S C -0.188 174.481 174.600 0.115 0.000 1.333 164 S CA -0.503 57.787 58.200 0.150 0.000 1.052 164 S CB 0.845 64.212 63.200 0.279 0.000 0.884 164 S HN 0.468 nan 8.310 nan 0.000 0.506 165 Q N 2.246 122.103 119.800 0.094 0.000 2.394 165 Q HA 0.275 4.615 4.340 0.000 0.000 0.248 165 Q C -2.273 173.796 176.000 0.114 0.000 0.992 165 Q CA -1.158 54.681 55.803 0.060 0.000 0.888 165 Q CB -0.212 28.555 28.738 0.049 0.000 1.257 165 Q HN 0.343 nan 8.270 nan 0.000 0.462 166 P HA 0.026 nan 4.420 nan 0.000 0.266 166 P C -1.264 176.102 177.300 0.111 0.000 1.195 166 P CA 0.257 63.292 63.100 -0.108 0.000 0.768 166 P CB 0.253 31.692 31.700 -0.435 0.000 0.838 167 F N 0.227 120.149 119.950 -0.047 0.000 2.626 167 F HA 0.613 5.140 4.527 0.000 0.000 0.311 167 F C -1.592 174.203 175.800 -0.008 0.000 1.088 167 F CA -1.627 56.361 58.000 -0.019 0.000 0.949 167 F CB 0.699 39.702 39.000 0.004 0.000 1.322 167 F HN -0.031 nan 8.300 nan 0.000 0.461 168 L N 2.649 123.927 121.223 0.092 0.000 2.350 168 L HA 0.758 5.098 4.340 0.000 0.000 0.275 168 L C -0.733 176.193 176.870 0.093 0.000 1.099 168 L CA -1.102 53.742 54.840 0.008 0.000 0.808 168 L CB 1.621 43.688 42.059 0.013 0.000 1.149 168 L HN 0.591 nan 8.230 nan 0.000 0.442 169 V N 1.955 121.894 119.914 0.042 0.000 2.569 169 V HA 0.531 4.651 4.120 0.000 0.000 0.301 169 V C 0.008 176.183 176.094 0.134 0.000 1.044 169 V CA -0.753 61.613 62.300 0.110 0.000 0.874 169 V CB 1.630 33.498 31.823 0.075 0.000 1.002 169 V HN 0.852 nan 8.190 nan 0.000 0.424 170 A N 3.563 126.463 122.820 0.134 0.000 2.354 170 A HA 0.920 5.240 4.320 0.000 0.000 0.269 170 A C 0.239 177.944 177.584 0.202 0.000 1.109 170 A CA 0.139 52.273 52.037 0.162 0.000 0.800 170 A CB 0.917 20.013 19.000 0.160 0.000 1.045 170 A HN 1.667 nan 8.150 nan 0.000 0.489 171 A N 3.926 126.885 122.820 0.232 0.000 2.398 171 A HA 0.815 5.135 4.320 0.000 0.000 0.301 171 A C -2.872 174.808 177.584 0.161 0.000 1.041 171 A CA -1.556 50.598 52.037 0.195 0.000 0.711 171 A CB 1.307 20.403 19.000 0.160 0.000 1.240 171 A HN 0.625 nan 8.150 nan 0.000 0.420 172 P HA 0.379 nan 4.420 nan 0.000 0.279 172 P C -0.732 176.765 177.300 0.330 0.000 1.282 172 P CA -0.063 63.150 63.100 0.188 0.000 0.788 172 P CB 0.741 32.521 31.700 0.133 0.000 1.139 173 Q N -1.568 118.463 119.800 0.386 0.000 2.496 173 Q HA 0.413 4.753 4.340 0.000 0.000 0.286 173 Q C -0.594 175.615 176.000 0.348 0.000 1.103 173 Q CA -0.772 55.254 55.803 0.372 0.000 0.813 173 Q CB 1.702 30.584 28.738 0.239 0.000 1.444 173 Q HN 0.299 nan 8.270 nan 0.000 0.443 174 T N 1.312 115.922 114.554 0.093 0.000 2.869 174 T HA 0.092 4.442 4.350 0.000 0.000 0.295 174 T C 0.031 174.706 174.700 -0.041 0.000 0.987 174 T CA -0.268 61.719 62.100 -0.187 0.000 1.109 174 T CB 0.137 68.801 68.868 -0.340 0.000 0.932 174 T HN 0.508 nan 8.240 nan 0.000 0.518 175 N N 3.692 122.361 118.700 -0.050 0.000 2.359 175 N HA -0.033 4.707 4.740 0.000 0.000 0.261 175 N C -1.395 174.103 175.510 -0.020 0.000 1.267 175 N CA -1.403 51.646 53.050 -0.002 0.000 0.864 175 N CB 0.710 39.192 38.487 -0.008 0.000 1.063 175 N HN 0.275 nan 8.380 nan 0.000 0.474 176 P HA -0.188 nan 4.420 nan 0.000 0.218 176 P C 1.140 178.432 177.300 -0.013 0.000 1.146 176 P CA 1.324 64.427 63.100 0.005 0.000 0.813 176 P CB -0.136 31.576 31.700 0.020 0.000 0.778 177 T N -4.891 109.653 114.554 -0.016 0.000 3.007 177 T HA 0.094 4.444 4.350 0.000 0.000 0.270 177 T C 1.718 176.393 174.700 -0.041 0.000 1.107 177 T CA 1.274 63.360 62.100 -0.023 0.000 1.118 177 T CB -1.014 67.844 68.868 -0.017 0.000 0.889 177 T HN 0.273 nan 8.240 nan 0.000 0.506 178 G N 1.078 109.840 108.800 -0.063 0.000 2.213 178 G HA2 -0.244 3.716 3.960 0.000 0.000 0.236 178 G HA3 -0.244 3.716 3.960 0.000 0.000 0.236 178 G C 0.021 174.854 174.900 -0.112 0.000 0.991 178 G CA 0.096 45.137 45.100 -0.099 0.000 0.629 178 G HN 0.683 nan 8.290 nan 0.000 0.517 179 D N 1.387 121.742 120.400 -0.075 0.000 2.608 179 D HA 0.534 5.174 4.640 0.000 0.000 0.224 179 D C 1.110 177.373 176.300 -0.061 0.000 1.123 179 D CA 1.916 55.882 54.000 -0.058 0.000 1.030 179 D CB -0.626 40.158 40.800 -0.026 0.000 1.093 179 D HN 1.488 nan 8.370 nan 0.000 0.497 180 G N 1.304 110.027 108.800 -0.128 0.000 2.660 180 G HA2 -0.229 3.731 3.960 0.000 0.000 0.247 180 G HA3 -0.229 3.731 3.960 0.000 0.000 0.247 180 G C -0.693 174.103 174.900 -0.175 0.000 1.328 180 G CA -0.667 44.364 45.100 -0.116 0.000 0.884 180 G HN 0.290 nan 8.290 nan 0.000 0.531 181 W N -1.094 120.223 121.300 0.029 0.000 2.375 181 W HA 0.649 5.309 4.660 0.000 0.000 0.336 181 W C 0.303 176.849 176.519 0.046 0.000 1.160 181 W CA -0.578 56.789 57.345 0.038 0.000 1.266 181 W CB 1.301 30.782 29.460 0.034 0.000 1.195 181 W HN 0.437 nan 8.180 nan 0.000 0.599 182 L N 3.161 124.582 121.223 0.329 0.000 2.277 182 L HA 0.213 4.553 4.340 0.000 0.000 0.284 182 L C 0.943 177.945 176.870 0.220 0.000 1.028 182 L CA -0.074 54.900 54.840 0.223 0.000 0.835 182 L CB 1.063 43.232 42.059 0.183 0.000 1.215 182 L HN 0.457 nan 8.230 nan 0.000 0.425 183 Q N 1.006 120.902 119.800 0.161 0.000 2.250 183 Q HA 0.145 4.485 4.340 0.000 0.000 0.200 183 Q C -0.445 175.590 176.000 0.058 0.000 0.941 183 Q CA 0.695 56.558 55.803 0.101 0.000 0.872 183 Q CB 0.428 29.205 28.738 0.066 0.000 0.965 183 Q HN 0.595 nan 8.270 nan 0.000 0.480 184 D N 1.280 121.715 120.400 0.058 0.000 2.443 184 D HA 0.244 4.884 4.640 0.000 0.000 0.221 184 D C -0.497 175.789 176.300 -0.023 0.000 1.097 184 D CA -0.114 53.880 54.000 -0.010 0.000 0.865 184 D CB 1.827 42.633 40.800 0.010 0.000 1.034 184 D HN -0.201 nan 8.370 nan 0.000 0.511 185 V N 3.403 123.264 119.914 -0.088 0.000 2.617 185 V HA 0.232 4.352 4.120 0.000 0.000 0.298 185 V C 0.167 176.130 176.094 -0.218 0.000 1.048 185 V CA -0.576 61.713 62.300 -0.019 0.000 0.964 185 V CB 1.744 33.593 31.823 0.043 0.000 1.004 185 V HN 0.508 nan 8.190 nan 0.000 0.466 186 H N 2.722 121.851 119.070 0.098 0.000 2.538 186 H HA 0.688 5.244 4.556 0.000 0.000 0.353 186 H C -0.705 174.632 175.328 0.015 0.000 1.109 186 H CA -0.419 55.660 56.048 0.051 0.000 1.192 186 H CB 2.210 32.081 29.762 0.182 0.000 1.555 186 H HN 0.554 nan 8.280 nan 0.000 0.518 187 V N 0.603 120.456 119.914 -0.103 0.000 2.962 187 V HA 0.466 4.586 4.120 0.000 0.000 0.313 187 V C -1.353 174.518 176.094 -0.371 0.000 1.099 187 V CA -0.880 61.391 62.300 -0.048 0.000 0.971 187 V CB 2.188 34.127 31.823 0.192 0.000 1.028 187 V HN 0.662 nan 8.190 nan 0.000 0.430 188 Y N 2.761 123.083 120.300 0.036 0.000 2.470 188 Y HA 0.479 5.029 4.550 0.000 0.000 0.352 188 Y C -2.481 173.376 175.900 -0.072 0.000 0.967 188 Y CA -2.162 55.955 58.100 0.028 0.000 1.121 188 Y CB 1.059 39.527 38.460 0.013 0.000 1.149 188 Y HN 0.530 nan 8.280 nan 0.000 0.641 189 P HA 0.137 nan 4.420 nan 0.000 0.271 189 P C -0.580 176.790 177.300 0.116 0.000 1.216 189 P CA -0.349 62.716 63.100 -0.058 0.000 0.776 189 P CB 1.535 33.268 31.700 0.055 0.000 0.881 190 K N 2.633 123.067 120.400 0.057 0.000 2.130 190 K HA 0.372 4.692 4.320 0.000 0.000 0.268 190 K C 0.522 177.171 176.600 0.081 0.000 0.983 190 K CA -0.405 55.897 56.287 0.025 0.000 0.893 190 K CB 0.674 33.157 32.500 -0.030 0.000 1.066 190 K HN 0.613 nan 8.250 nan 0.000 0.450 191 H N -0.141 118.973 119.070 0.074 0.000 2.907 191 H HA 0.539 5.095 4.556 0.000 0.000 0.361 191 H C -1.073 174.282 175.328 0.044 0.000 1.194 191 H CA -1.144 54.937 56.048 0.055 0.000 1.152 191 H CB 1.374 31.175 29.762 0.066 0.000 1.867 191 H HN 0.352 nan 8.280 nan 0.000 0.561 192 Q N 0.636 120.520 119.800 0.139 0.000 2.353 192 Q HA 0.594 4.934 4.340 0.000 0.000 0.268 192 Q C -0.610 175.515 176.000 0.208 0.000 1.045 192 Q CA -0.748 55.112 55.803 0.096 0.000 0.811 192 Q CB 2.499 31.268 28.738 0.051 0.000 1.305 192 Q HN 0.820 nan 8.270 nan 0.000 0.447 193 A N 2.651 125.577 122.820 0.176 0.000 2.445 193 A HA 0.461 4.781 4.320 0.000 0.000 0.242 193 A C -0.697 176.981 177.584 0.158 0.000 1.075 193 A CA -0.237 51.906 52.037 0.177 0.000 0.777 193 A CB 0.218 19.298 19.000 0.134 0.000 1.013 193 A HN 0.731 nan 8.150 nan 0.000 0.493 194 L N 1.869 123.180 121.223 0.148 0.000 2.295 194 L HA 0.310 4.650 4.340 0.000 0.000 0.285 194 L C 0.477 177.413 176.870 0.111 0.000 1.035 194 L CA -0.276 54.653 54.840 0.148 0.000 0.806 194 L CB 1.758 43.897 42.059 0.134 0.000 1.214 194 L HN 0.716 nan 8.230 nan 0.000 0.426 195 S N 1.455 117.222 115.700 0.110 0.000 2.580 195 S HA 0.053 4.523 4.470 0.000 0.000 0.274 195 S C -0.028 174.606 174.600 0.056 0.000 1.329 195 S CA -0.543 57.703 58.200 0.077 0.000 1.036 195 S CB 0.904 64.150 63.200 0.077 0.000 0.919 195 S HN 0.577 nan 8.310 nan 0.000 0.515 196 E N 2.800 123.016 120.200 0.027 0.000 2.328 196 E HA 0.088 4.438 4.350 0.000 0.000 0.265 196 E C -2.305 174.293 176.600 -0.003 0.000 1.057 196 E CA -1.518 54.877 56.400 -0.008 0.000 0.916 196 E CB 0.171 29.853 29.700 -0.030 0.000 0.993 196 E HN 0.162 nan 8.360 nan 0.000 0.446 197 P HA -0.038 nan 4.420 nan 0.000 0.268 197 P C -1.049 176.242 177.300 -0.015 0.000 1.208 197 P CA -0.209 62.894 63.100 0.005 0.000 0.777 197 P CB 0.670 32.373 31.700 0.005 0.000 0.875 198 V N 3.250 123.167 119.914 0.004 0.000 2.333 198 V HA 0.264 4.384 4.120 0.000 0.000 0.274 198 V C 0.452 176.546 176.094 0.000 0.000 1.028 198 V CA -0.365 61.934 62.300 -0.001 0.000 0.851 198 V CB 0.664 32.493 31.823 0.011 0.000 1.000 198 V HN 0.443 nan 8.190 nan 0.000 0.456 199 K N 3.894 124.285 120.400 -0.016 0.000 2.185 199 K HA 0.713 5.033 4.320 0.000 0.000 0.269 199 K C -0.166 176.441 176.600 0.013 0.000 0.987 199 K CA -0.292 55.987 56.287 -0.014 0.000 0.865 199 K CB 1.480 33.942 32.500 -0.064 0.000 1.090 199 K HN 0.852 nan 8.250 nan 0.000 0.450 200 T N -0.302 114.277 114.554 0.042 0.000 2.901 200 T HA 0.766 5.116 4.350 0.000 0.000 0.293 200 T C -0.842 173.939 174.700 0.135 0.000 1.084 200 T CA -1.102 61.041 62.100 0.071 0.000 1.008 200 T CB 1.753 70.645 68.868 0.040 0.000 1.170 200 T HN 0.539 nan 8.240 nan 0.000 0.509 201 A N 0.837 123.737 122.820 0.133 0.000 2.340 201 A HA 0.846 5.166 4.320 0.000 0.000 0.331 201 A C -0.821 176.767 177.584 0.006 0.000 1.140 201 A CA -0.799 51.258 52.037 0.034 0.000 0.801 201 A CB 1.415 20.471 19.000 0.092 0.000 1.234 201 A HN 0.923 nan 8.150 nan 0.000 0.469 202 V N 1.487 121.332 119.914 -0.115 0.000 2.841 202 V HA 0.307 4.427 4.120 0.000 0.000 0.310 202 V C -1.018 175.066 176.094 -0.016 0.000 1.090 202 V CA -0.707 61.569 62.300 -0.040 0.000 0.930 202 V CB 2.105 33.875 31.823 -0.087 0.000 1.014 202 V HN 0.971 nan 8.190 nan 0.000 0.425 203 D N 5.856 126.320 120.400 0.106 0.000 2.336 203 D HA 0.285 4.925 4.640 0.000 0.000 0.249 203 D C -1.197 175.108 176.300 0.009 0.000 1.213 203 D CA -1.716 52.368 54.000 0.140 0.000 0.870 203 D CB 1.732 42.588 40.800 0.092 0.000 1.076 203 D HN 0.309 nan 8.370 nan 0.000 0.483 204 P HA 0.073 nan 4.420 nan 0.000 0.241 204 P C -0.366 176.918 177.300 -0.026 0.000 1.191 204 P CA 0.313 63.384 63.100 -0.049 0.000 0.771 204 P CB 0.617 32.269 31.700 -0.080 0.000 0.929 205 D N -0.067 120.327 120.400 -0.011 0.000 2.479 205 D HA 0.336 4.976 4.640 0.000 0.000 0.246 205 D C -0.066 176.222 176.300 -0.019 0.000 1.336 205 D CA -0.511 53.483 54.000 -0.010 0.000 0.967 205 D CB 1.835 42.635 40.800 0.000 0.000 1.275 205 D HN -0.143 nan 8.370 nan 0.000 0.577 206 A N 2.794 125.595 122.820 -0.031 0.000 2.278 206 A HA 0.077 4.397 4.320 0.000 0.000 0.212 206 A C 1.728 179.282 177.584 -0.050 0.000 1.213 206 A CA 0.386 52.390 52.037 -0.055 0.000 0.840 206 A CB -0.120 18.847 19.000 -0.055 0.000 0.866 206 A HN 0.570 nan 8.150 nan 0.000 0.489 207 T N -0.138 114.401 114.554 -0.025 0.000 2.699 207 T HA -0.161 4.189 4.350 0.000 0.000 0.268 207 T C 0.987 175.681 174.700 -0.010 0.000 1.036 207 T CA 1.711 63.806 62.100 -0.008 0.000 1.147 207 T CB -0.105 68.768 68.868 0.008 0.000 0.862 207 T HN 0.684 nan 8.240 nan 0.000 0.446 208 Q N 0.955 120.738 119.800 -0.029 0.000 2.337 208 Q HA 0.330 4.670 4.340 0.000 0.000 0.270 208 Q C -3.033 172.836 176.000 -0.218 0.000 1.043 208 Q CA -2.704 53.063 55.803 -0.059 0.000 0.794 208 Q CB 2.160 30.920 28.738 0.037 0.000 1.281 208 Q HN 0.004 nan 8.270 nan 0.000 0.446 209 P HA 0.079 nan 4.420 nan 0.000 0.264 209 P C 0.045 176.902 177.300 -0.739 0.000 1.183 209 P CA 1.298 63.943 63.100 -0.760 0.000 0.763 209 P CB 0.546 31.409 31.700 -1.395 0.000 0.807 210 G N 2.762 111.263 108.800 -0.498 0.000 2.693 210 G HA2 -0.145 3.815 3.960 0.000 0.000 0.226 210 G HA3 -0.145 3.815 3.960 0.000 0.000 0.226 210 G C -0.625 174.227 174.900 -0.080 0.000 1.354 210 G CA -0.155 44.719 45.100 -0.378 0.000 0.873 210 G HN 0.501 nan 8.290 nan 0.000 0.562 211 F N -1.091 118.998 119.950 0.232 0.000 2.584 211 F HA 0.732 5.259 4.527 0.000 0.000 0.328 211 F C 0.473 176.361 175.800 0.146 0.000 1.407 211 F CA -0.601 57.426 58.000 0.045 0.000 1.145 211 F CB 0.376 39.314 39.000 -0.103 0.000 1.440 211 F HN 0.439 nan 8.300 nan 0.000 0.580 212 S N 0.678 116.536 115.700 0.265 0.000 2.580 212 S HA 0.246 4.716 4.470 0.000 0.000 0.266 212 S C 0.539 175.358 174.600 0.364 0.000 1.354 212 S CA -0.607 57.804 58.200 0.351 0.000 1.008 212 S CB 1.173 64.543 63.200 0.283 0.000 0.898 212 S HN 0.347 nan 8.310 nan 0.000 0.555 213 V N 2.090 122.232 119.914 0.380 0.000 2.644 213 V HA 0.318 4.438 4.120 0.000 0.000 0.305 213 V C 1.485 177.684 176.094 0.175 0.000 1.053 213 V CA 1.631 64.071 62.300 0.232 0.000 1.186 213 V CB -0.165 31.755 31.823 0.162 0.000 0.895 213 V HN 1.262 nan 8.190 nan 0.000 0.490 214 G N 3.408 112.288 108.800 0.134 0.000 2.195 214 G HA2 -0.145 3.815 3.960 0.000 0.000 0.224 214 G HA3 -0.145 3.815 3.960 0.000 0.000 0.224 214 G C 0.022 174.982 174.900 0.099 0.000 0.990 214 G CA 0.072 45.234 45.100 0.105 0.000 0.639 214 G HN 0.627 nan 8.290 nan 0.000 0.514 215 E N 0.066 120.341 120.200 0.124 0.000 2.316 215 E HA 0.457 4.807 4.350 0.000 0.000 0.258 215 E C -0.662 175.990 176.600 0.086 0.000 0.952 215 E CA -1.050 55.416 56.400 0.109 0.000 0.818 215 E CB 0.901 30.687 29.700 0.143 0.000 1.260 215 E HN 0.160 nan 8.360 nan 0.000 0.416 216 N N 0.563 119.289 118.700 0.042 0.000 2.473 216 N HA 0.244 4.984 4.740 0.000 0.000 0.291 216 N C -0.859 174.566 175.510 -0.141 0.000 1.083 216 N CA -0.322 52.705 53.050 -0.039 0.000 0.951 216 N CB 1.964 40.419 38.487 -0.053 0.000 1.164 216 N HN 0.139 nan 8.380 nan 0.000 0.480 217 V N 1.050 120.738 119.914 -0.377 0.000 2.612 217 V HA 0.402 4.522 4.120 0.000 0.000 0.301 217 V C -0.287 175.340 176.094 -0.780 0.000 1.046 217 V CA -0.613 61.129 62.300 -0.930 0.000 0.946 217 V CB 1.525 32.456 31.823 -1.487 0.000 1.003 217 V HN 0.606 nan 8.190 nan 0.000 0.459 218 K N 4.474 124.372 120.400 -0.837 0.000 2.270 218 K HA 0.523 4.843 4.320 0.000 0.000 0.255 218 K C -2.035 174.068 176.600 -0.829 0.000 0.936 218 K CA -0.570 55.318 56.287 -0.665 0.000 0.809 218 K CB 1.543 33.826 32.500 -0.362 0.000 1.131 218 K HN 0.674 nan 8.250 nan 0.000 0.427 219 Y N 1.556 121.447 120.300 -0.682 0.000 2.468 219 Y HA 0.445 4.995 4.550 0.000 0.000 0.342 219 Y C -0.086 175.552 175.900 -0.437 0.000 1.021 219 Y CA -0.877 56.858 58.100 -0.608 0.000 1.079 219 Y CB 1.869 39.836 38.460 -0.822 0.000 1.226 219 Y HN 0.465 nan 8.280 nan 0.000 0.460 220 R N 1.681 122.161 120.500 -0.034 0.000 2.480 220 R HA 0.771 5.111 4.340 0.000 0.000 0.306 220 R C -2.242 174.078 176.300 0.033 0.000 0.958 220 R CA -0.629 55.468 56.100 -0.004 0.000 0.861 220 R CB 1.248 31.544 30.300 -0.007 0.000 1.171 220 R HN 0.569 nan 8.270 nan 0.000 0.445 221 V N 3.685 123.638 119.914 0.065 0.000 2.376 221 V HA 0.537 4.657 4.120 0.000 0.000 0.287 221 V C -0.356 175.779 176.094 0.069 0.000 1.015 221 V CA -0.789 61.553 62.300 0.069 0.000 0.834 221 V CB 1.372 33.259 31.823 0.106 0.000 1.001 221 V HN 0.883 nan 8.190 nan 0.000 0.428 222 A N 3.581 126.432 122.820 0.052 0.000 2.258 222 A HA 0.774 5.094 4.320 0.000 0.000 0.316 222 A C 0.138 177.761 177.584 0.065 0.000 1.279 222 A CA -0.345 51.725 52.037 0.055 0.000 0.876 222 A CB 0.641 19.665 19.000 0.040 0.000 1.170 222 A HN 0.668 nan 8.150 nan 0.000 0.520 223 T N 3.194 117.804 114.554 0.092 0.000 2.792 223 T HA 0.326 4.676 4.350 0.000 0.000 0.280 223 T C -0.176 174.603 174.700 0.131 0.000 0.990 223 T CA -0.450 61.727 62.100 0.129 0.000 0.960 223 T CB 0.959 69.946 68.868 0.200 0.000 0.939 223 T HN 0.610 nan 8.240 nan 0.000 0.439 224 K N 2.794 123.269 120.400 0.126 0.000 2.276 224 K HA 0.327 4.647 4.320 0.000 0.000 0.283 224 K C -0.024 176.666 176.600 0.150 0.000 1.044 224 K CA -0.713 55.641 56.287 0.111 0.000 0.944 224 K CB 0.639 33.196 32.500 0.095 0.000 1.012 224 K HN 0.391 nan 8.250 nan 0.000 0.472 225 I N 6.296 126.909 120.570 0.071 0.000 2.396 225 I HA 0.111 4.281 4.170 0.000 0.000 0.289 225 I C -1.781 174.440 176.117 0.172 0.000 1.056 225 I CA -2.877 58.442 61.300 0.032 0.000 1.365 225 I CB 0.029 37.951 38.000 -0.129 0.000 1.407 225 I HN 0.402 nan 8.210 nan 0.000 0.509 226 P HA 0.149 nan 4.420 nan 0.000 0.276 226 P C -0.313 177.129 177.300 0.236 0.000 1.244 226 P CA -0.526 62.726 63.100 0.253 0.000 0.801 226 P CB 0.999 32.865 31.700 0.276 0.000 1.006 227 E N 1.820 122.099 120.200 0.132 0.000 2.324 227 E HA 0.251 4.601 4.350 0.000 0.000 0.271 227 E C -0.091 176.524 176.600 0.024 0.000 1.028 227 E CA -0.500 55.947 56.400 0.078 0.000 0.890 227 E CB -0.016 29.712 29.700 0.047 0.000 1.004 227 E HN 0.378 nan 8.360 nan 0.000 0.431 228 I N 0.686 121.228 120.570 -0.048 0.000 2.982 228 I HA 0.669 4.839 4.170 0.000 0.000 0.312 228 I C -0.091 175.970 176.117 -0.094 0.000 1.041 228 I CA -1.391 59.828 61.300 -0.135 0.000 1.053 228 I CB 1.551 39.321 38.000 -0.384 0.000 1.248 228 I HN 0.506 nan 8.210 nan 0.000 0.471 229 A N 2.766 125.532 122.820 -0.090 0.000 2.567 229 A HA 0.114 4.434 4.320 0.000 0.000 0.240 229 A C 0.654 178.206 177.584 -0.054 0.000 1.053 229 A CA 0.340 52.341 52.037 -0.059 0.000 0.755 229 A CB -0.404 18.566 19.000 -0.051 0.000 0.978 229 A HN 0.817 nan 8.150 nan 0.000 0.507 230 S N 2.453 118.132 115.700 -0.036 0.000 2.715 230 S HA -0.092 4.378 4.470 0.000 0.000 0.318 230 S C 1.052 175.638 174.600 -0.024 0.000 1.242 230 S CA 1.149 59.334 58.200 -0.026 0.000 1.044 230 S CB -0.843 62.345 63.200 -0.020 0.000 0.760 230 S HN 0.995 nan 8.310 nan 0.000 0.501 231 N N 0.650 119.340 118.700 -0.017 0.000 2.708 231 N HA -0.198 4.542 4.740 0.000 0.000 0.251 231 N C -0.138 175.364 175.510 -0.014 0.000 1.123 231 N CA 0.995 54.039 53.050 -0.010 0.000 0.739 231 N CB -1.657 36.827 38.487 -0.005 0.000 1.113 231 N HN 0.814 nan 8.380 nan 0.000 0.561 232 T N -2.777 111.757 114.554 -0.034 0.000 2.952 232 T HA 0.637 4.987 4.350 0.000 0.000 0.286 232 T C -0.292 174.374 174.700 -0.057 0.000 1.024 232 T CA -0.839 61.234 62.100 -0.044 0.000 1.029 232 T CB 2.504 71.333 68.868 -0.066 0.000 1.094 232 T HN -0.102 nan 8.240 nan 0.000 0.515 233 K N 0.713 121.089 120.400 -0.041 0.000 2.328 233 K HA 0.460 4.780 4.320 0.000 0.000 0.246 233 K C -0.819 175.771 176.600 -0.017 0.000 0.955 233 K CA -0.753 55.537 56.287 0.004 0.000 0.817 233 K CB 1.586 34.127 32.500 0.068 0.000 1.208 233 K HN 0.654 nan 8.250 nan 0.000 0.432 234 F N 1.746 121.734 119.950 0.065 0.000 2.572 234 F HA -0.027 4.500 4.527 0.000 0.000 0.370 234 F C 1.815 177.665 175.800 0.083 0.000 1.103 234 F CA 0.466 58.523 58.000 0.095 0.000 1.286 234 F CB 0.461 39.535 39.000 0.123 0.000 1.105 234 F HN 0.583 nan 8.300 nan 0.000 0.583 235 E N 1.453 121.801 120.200 0.246 0.000 2.274 235 E HA 0.164 4.514 4.350 0.000 0.000 0.194 235 E C 0.935 177.628 176.600 0.156 0.000 0.996 235 E CA 0.556 57.051 56.400 0.159 0.000 0.840 235 E CB 0.133 29.899 29.700 0.109 0.000 0.772 235 E HN 0.808 nan 8.360 nan 0.000 0.491 236 G N -0.010 108.923 108.800 0.222 0.000 2.328 236 G HA2 0.395 4.355 3.960 0.000 0.000 0.295 236 G HA3 0.395 4.355 3.960 0.000 0.000 0.295 236 G C -2.053 172.996 174.900 0.247 0.000 1.413 236 G CA -0.971 44.227 45.100 0.164 0.000 0.817 236 G HN 0.045 nan 8.290 nan 0.000 0.546 237 F N 0.937 120.870 119.950 -0.029 0.000 2.991 237 F HA 0.554 5.081 4.527 0.000 0.000 0.355 237 F C -0.379 175.402 175.800 -0.031 0.000 1.262 237 F CA -0.247 57.713 58.000 -0.067 0.000 1.127 237 F CB 2.112 40.997 39.000 -0.191 0.000 1.447 237 F HN 0.511 nan 8.300 nan 0.000 0.584 238 T N 4.705 119.153 114.554 -0.176 0.000 2.841 238 T HA 0.637 4.987 4.350 0.000 0.000 0.283 238 T C -1.043 173.650 174.700 -0.012 0.000 1.000 238 T CA -0.626 61.457 62.100 -0.029 0.000 0.977 238 T CB 2.017 70.880 68.868 -0.008 0.000 0.979 238 T HN 0.175 nan 8.240 nan 0.000 0.446 239 V N 2.651 122.623 119.914 0.096 0.000 2.409 239 V HA 0.800 4.920 4.120 0.000 0.000 0.291 239 V C -0.038 176.161 176.094 0.174 0.000 1.020 239 V CA -0.715 61.667 62.300 0.137 0.000 0.848 239 V CB 1.168 33.064 31.823 0.122 0.000 0.990 239 V HN 1.090 nan 8.190 nan 0.000 0.430 240 A N 3.542 126.502 122.820 0.233 0.000 2.365 240 A HA 0.840 5.160 4.320 0.000 0.000 0.318 240 A C -1.144 176.477 177.584 0.061 0.000 1.091 240 A CA -0.494 51.615 52.037 0.120 0.000 0.763 240 A CB 1.649 20.720 19.000 0.118 0.000 1.248 240 A HN 0.696 nan 8.150 nan 0.000 0.442 241 D N 1.271 121.631 120.400 -0.066 0.000 2.686 241 D HA 0.220 4.860 4.640 0.000 0.000 0.249 241 D C -1.055 175.155 176.300 -0.150 0.000 1.260 241 D CA -0.281 53.690 54.000 -0.049 0.000 0.910 241 D CB 1.329 42.108 40.800 -0.034 0.000 1.323 241 D HN 0.481 nan 8.370 nan 0.000 0.561 242 K N 4.838 125.173 120.400 -0.109 0.000 2.250 242 K HA 0.253 4.573 4.320 0.000 0.000 0.280 242 K C -0.261 176.290 176.600 -0.081 0.000 1.098 242 K CA -0.618 55.579 56.287 -0.149 0.000 0.916 242 K CB 0.373 32.775 32.500 -0.164 0.000 1.209 242 K HN 0.275 nan 8.250 nan 0.000 0.461 243 L N 6.553 127.727 121.223 -0.081 0.000 2.483 243 L HA 0.128 4.468 4.340 0.000 0.000 0.276 243 L C -1.822 175.045 176.870 -0.005 0.000 1.213 243 L CA -1.270 53.568 54.840 -0.004 0.000 0.843 243 L CB -0.230 41.853 42.059 0.039 0.000 1.107 243 L HN 0.627 nan 8.230 nan 0.000 0.487 244 P HA -0.028 nan 4.420 nan 0.000 0.268 244 P C -0.076 177.228 177.300 0.006 0.000 1.208 244 P CA -0.142 62.967 63.100 0.014 0.000 0.777 244 P CB 0.545 32.266 31.700 0.034 0.000 0.875 245 A N 2.104 124.918 122.820 -0.010 0.000 2.070 245 A HA -0.172 4.148 4.320 0.000 0.000 0.220 245 A C 1.694 179.267 177.584 -0.018 0.000 1.159 245 A CA 1.458 53.484 52.037 -0.017 0.000 0.656 245 A CB -0.969 18.017 19.000 -0.022 0.000 0.800 245 A HN 0.545 nan 8.150 nan 0.000 0.453 246 E N -0.516 119.669 120.200 -0.025 0.000 2.482 246 E HA 0.162 4.512 4.350 0.000 0.000 0.196 246 E C -0.030 176.560 176.600 -0.016 0.000 1.047 246 E CA 0.119 56.493 56.400 -0.043 0.000 0.869 246 E CB -0.059 29.580 29.700 -0.102 0.000 0.836 246 E HN 0.596 nan 8.360 nan 0.000 0.520 247 L N 0.244 121.474 121.223 0.012 0.000 2.322 247 L HA 0.453 4.793 4.340 0.000 0.000 0.279 247 L C 1.011 177.895 176.870 0.023 0.000 1.036 247 L CA -1.026 53.834 54.840 0.034 0.000 0.807 247 L CB 1.364 43.474 42.059 0.086 0.000 1.226 247 L HN 0.061 nan 8.230 nan 0.000 0.433 248 G N 1.749 110.563 108.800 0.024 0.000 2.588 248 G HA2 0.230 4.190 3.960 0.000 0.000 0.278 248 G HA3 0.230 4.190 3.960 0.000 0.000 0.278 248 G C -0.384 174.527 174.900 0.019 0.000 1.307 248 G CA -0.621 44.489 45.100 0.016 0.000 1.016 248 G HN 0.538 nan 8.290 nan 0.000 0.503 249 K N 0.883 121.287 120.400 0.007 0.000 2.326 249 K HA 0.219 4.539 4.320 0.000 0.000 0.275 249 K C -2.186 174.424 176.600 0.017 0.000 1.018 249 K CA -0.909 55.375 56.287 -0.005 0.000 0.962 249 K CB 0.701 33.193 32.500 -0.014 0.000 0.953 249 K HN 0.172 nan 8.250 nan 0.000 0.475 250 P HA -0.070 nan 4.420 nan 0.000 0.268 250 P C -0.854 176.472 177.300 0.043 0.000 1.204 250 P CA -0.161 62.976 63.100 0.063 0.000 0.768 250 P CB 0.430 32.123 31.700 -0.012 0.000 0.842 251 D N 2.095 122.532 120.400 0.061 0.000 2.412 251 D HA -0.028 4.612 4.640 0.000 0.000 0.257 251 D C 0.767 177.090 176.300 0.039 0.000 1.217 251 D CA 0.489 54.513 54.000 0.040 0.000 0.897 251 D CB 0.347 41.168 40.800 0.035 0.000 1.132 251 D HN 0.252 nan 8.370 nan 0.000 0.493 252 T N 3.268 117.836 114.554 0.023 0.000 2.721 252 T HA -0.193 4.157 4.350 0.000 0.000 0.268 252 T C 1.315 176.031 174.700 0.025 0.000 1.038 252 T CA 1.038 63.149 62.100 0.019 0.000 1.145 252 T CB -0.043 68.833 68.868 0.013 0.000 0.858 252 T HN 0.458 nan 8.240 nan 0.000 0.459 253 N N 0.809 119.523 118.700 0.025 0.000 2.461 253 N HA 0.066 4.806 4.740 0.000 0.000 0.188 253 N C 1.073 176.600 175.510 0.028 0.000 1.134 253 N CA 0.489 53.552 53.050 0.023 0.000 0.878 253 N CB 0.196 38.693 38.487 0.017 0.000 0.972 253 N HN 0.484 nan 8.380 nan 0.000 0.456 254 K N 0.189 120.613 120.400 0.040 0.000 2.438 254 K HA 0.326 4.646 4.320 0.000 0.000 0.205 254 K C -0.085 176.563 176.600 0.079 0.000 1.033 254 K CA -0.116 56.199 56.287 0.047 0.000 1.089 254 K CB 1.079 33.600 32.500 0.036 0.000 0.857 254 K HN 0.019 nan 8.250 nan 0.000 0.522 255 I N 2.602 123.223 120.570 0.085 0.000 2.352 255 I HA 0.034 4.205 4.170 0.000 0.000 0.290 255 I C 0.436 176.602 176.117 0.081 0.000 1.036 255 I CA -0.063 61.304 61.300 0.112 0.000 1.336 255 I CB 0.984 39.029 38.000 0.074 0.000 1.407 255 I HN 0.047 nan 8.210 nan 0.000 0.497 256 T N 3.124 117.734 114.554 0.093 0.000 2.907 256 T HA 0.784 5.134 4.350 0.000 0.000 0.292 256 T C -0.679 174.062 174.700 0.067 0.000 1.043 256 T CA -0.758 61.380 62.100 0.063 0.000 1.003 256 T CB 2.090 70.986 68.868 0.046 0.000 1.084 256 T HN 0.187 nan 8.240 nan 0.000 0.483 257 V N 2.539 122.480 119.914 0.046 0.000 2.623 257 V HA 0.768 4.888 4.120 0.000 0.000 0.304 257 V C 0.044 176.150 176.094 0.021 0.000 1.054 257 V CA -0.671 61.653 62.300 0.041 0.000 0.882 257 V CB 1.800 33.645 31.823 0.037 0.000 1.002 257 V HN 1.353 nan 8.190 nan 0.000 0.424 258 T N 2.339 116.903 114.554 0.017 0.000 2.906 258 T HA 0.836 5.186 4.350 0.000 0.000 0.295 258 T C -1.326 173.365 174.700 -0.017 0.000 1.061 258 T CA -0.781 61.320 62.100 0.001 0.000 1.000 258 T CB 2.079 70.953 68.868 0.010 0.000 1.103 258 T HN 0.491 nan 8.240 nan 0.000 0.486 259 L N 2.204 123.404 121.223 -0.039 0.000 2.372 259 L HA 0.706 5.046 4.340 0.000 0.000 0.274 259 L C 0.822 177.684 176.870 -0.012 0.000 0.988 259 L CA 0.880 55.677 54.840 -0.071 0.000 0.833 259 L CB 0.843 42.786 42.059 -0.193 0.000 1.236 259 L HN 1.284 nan 8.230 nan 0.000 0.410 260 G N 3.530 112.341 108.800 0.018 0.000 2.356 260 G HA2 0.006 3.966 3.960 0.000 0.000 0.296 260 G HA3 0.006 3.966 3.960 0.000 0.000 0.296 260 G C 1.043 175.964 174.900 0.035 0.000 1.022 260 G CA 0.818 45.946 45.100 0.047 0.000 0.961 260 G HN 2.095 nan 8.290 nan 0.000 0.510 261 G N -1.651 107.162 108.800 0.022 0.000 2.205 261 G HA2 -0.274 3.686 3.960 0.000 0.000 0.261 261 G HA3 -0.274 3.686 3.960 0.000 0.000 0.261 261 G C 0.349 175.259 174.900 0.016 0.000 0.980 261 G CA 1.159 46.270 45.100 0.019 0.000 0.632 261 G HN 1.090 nan 8.290 nan 0.000 0.533 262 K N 1.292 121.701 120.400 0.016 0.000 2.207 262 K HA 0.543 4.863 4.320 0.000 0.000 0.255 262 K C -2.568 174.034 176.600 0.003 0.000 0.941 262 K CA -2.130 54.165 56.287 0.014 0.000 0.825 262 K CB 2.355 34.870 32.500 0.024 0.000 1.119 262 K HN 0.012 nan 8.250 nan 0.000 0.430 263 P HA 0.110 nan 4.420 nan 0.000 0.272 263 P C -0.530 176.765 177.300 -0.008 0.000 1.230 263 P CA -0.038 63.063 63.100 0.001 0.000 0.788 263 P CB 0.515 32.219 31.700 0.006 0.000 0.949 264 I N 0.944 121.506 120.570 -0.014 0.000 2.460 264 I HA 0.263 4.433 4.170 0.000 0.000 0.298 264 I C 0.871 176.982 176.117 -0.010 0.000 0.989 264 I CA -1.091 60.195 61.300 -0.024 0.000 1.173 264 I CB 1.101 39.078 38.000 -0.039 0.000 1.338 264 I HN 0.389 nan 8.210 nan 0.000 0.456 265 N N 2.887 121.582 118.700 -0.008 0.000 2.454 265 N HA 0.040 4.780 4.740 0.000 0.000 0.254 265 N C 0.483 175.994 175.510 0.001 0.000 1.228 265 N CA -0.413 52.637 53.050 -0.000 0.000 0.900 265 N CB 0.885 39.374 38.487 0.002 0.000 1.089 265 N HN 0.512 nan 8.380 nan 0.000 0.449 266 S N 0.731 116.434 115.700 0.005 0.000 2.382 266 S HA -0.211 4.259 4.470 0.000 0.000 0.228 266 S C 1.994 176.600 174.600 0.008 0.000 1.027 266 S CA 1.578 59.783 58.200 0.008 0.000 0.991 266 S CB -0.715 62.490 63.200 0.009 0.000 0.823 266 S HN 0.895 nan 8.310 nan 0.000 0.469 267 T N 0.741 115.299 114.554 0.007 0.000 2.803 267 T HA -0.152 4.198 4.350 0.000 0.000 0.269 267 T C 1.056 175.761 174.700 0.008 0.000 1.052 267 T CA 1.627 63.731 62.100 0.008 0.000 1.136 267 T CB -0.464 68.408 68.868 0.007 0.000 0.864 267 T HN 0.216 nan 8.240 nan 0.000 0.467 268 D N 0.728 121.131 120.400 0.005 0.000 2.289 268 D HA 0.158 4.798 4.640 0.000 0.000 0.207 268 D C 0.297 176.602 176.300 0.007 0.000 0.966 268 D CA 0.261 54.263 54.000 0.003 0.000 0.868 268 D CB 0.081 40.876 40.800 -0.007 0.000 0.943 268 D HN 0.340 nan 8.370 nan 0.000 0.514 269 V N 0.652 120.571 119.914 0.009 0.000 2.384 269 V HA 0.330 4.450 4.120 0.000 0.000 0.287 269 V C -0.014 176.094 176.094 0.024 0.000 1.020 269 V CA -0.829 61.481 62.300 0.018 0.000 0.850 269 V CB 1.754 33.586 31.823 0.014 0.000 0.987 269 V HN -0.102 nan 8.190 nan 0.000 0.436 270 S N 4.654 120.374 115.700 0.033 0.000 2.420 270 S HA 0.592 5.062 4.470 0.000 0.000 0.313 270 S C -0.637 173.989 174.600 0.044 0.000 1.079 270 S CA -0.457 57.765 58.200 0.036 0.000 1.104 270 S CB 0.874 64.097 63.200 0.039 0.000 0.969 270 S HN 0.491 nan 8.310 nan 0.000 0.471 271 V N 6.641 126.577 119.914 0.036 0.000 2.347 271 V HA 0.488 4.608 4.120 0.000 0.000 0.280 271 V C -0.087 176.027 176.094 0.033 0.000 1.021 271 V CA -0.481 61.837 62.300 0.029 0.000 0.847 271 V CB 1.147 32.980 31.823 0.017 0.000 0.990 271 V HN 0.861 nan 8.190 nan 0.000 0.444 272 Q N 2.270 122.099 119.800 0.047 0.000 2.423 272 Q HA 0.727 5.067 4.340 0.000 0.000 0.278 272 Q C -0.516 175.504 176.000 0.033 0.000 1.097 272 Q CA -0.773 55.081 55.803 0.084 0.000 0.809 272 Q CB 3.003 31.852 28.738 0.185 0.000 1.391 272 Q HN 0.869 nan 8.270 nan 0.000 0.428 273 T N -1.326 113.247 114.554 0.032 0.000 2.893 273 T HA 0.790 5.141 4.350 0.000 0.000 0.291 273 T C -1.101 173.634 174.700 0.058 0.000 1.028 273 T CA -0.627 61.418 62.100 -0.091 0.000 0.995 273 T CB 0.894 69.694 68.868 -0.112 0.000 1.051 273 T HN 0.557 nan 8.240 nan 0.000 0.470 274 Y N -1.172 119.097 120.300 -0.051 0.000 2.609 274 Y HA 0.681 5.231 4.550 0.000 0.000 0.336 274 Y C -0.896 174.974 175.900 -0.050 0.000 1.129 274 Y CA -1.505 56.570 58.100 -0.042 0.000 1.040 274 Y CB 1.063 39.503 38.460 -0.033 0.000 1.310 274 Y HN 0.464 nan 8.280 nan 0.000 0.460 275 Q N 1.574 121.435 119.800 0.102 0.000 2.241 275 Q HA 0.619 4.959 4.340 0.000 0.000 0.254 275 Q C -1.191 174.843 176.000 0.058 0.000 0.917 275 Q CA -0.789 55.029 55.803 0.025 0.000 0.919 275 Q CB 2.629 31.377 28.738 0.016 0.000 1.237 275 Q HN 0.666 nan 8.270 nan 0.000 0.434 276 V N 2.091 122.009 119.914 0.005 0.000 2.447 276 V HA 0.508 4.628 4.120 0.000 0.000 0.292 276 V C 0.790 176.871 176.094 -0.023 0.000 1.021 276 V CA 0.179 62.481 62.300 0.004 0.000 0.850 276 V CB 0.939 32.755 31.823 -0.013 0.000 1.005 276 V HN 1.039 nan 8.190 nan 0.000 0.426 277 G N 5.342 114.133 108.800 -0.015 0.000 2.622 277 G HA2 -0.319 3.641 3.960 0.000 0.000 0.307 277 G HA3 -0.319 3.641 3.960 0.000 0.000 0.307 277 G C 0.434 175.322 174.900 -0.019 0.000 1.226 277 G CA 0.749 45.838 45.100 -0.018 0.000 0.997 277 G HN 1.001 nan 8.290 nan 0.000 0.551 278 D N 1.096 121.482 120.400 -0.023 0.000 2.358 278 D HA 0.251 4.892 4.640 0.000 0.000 0.224 278 D C 1.012 177.294 176.300 -0.030 0.000 1.123 278 D CA 0.134 54.121 54.000 -0.022 0.000 0.833 278 D CB 0.022 40.811 40.800 -0.019 0.000 0.946 278 D HN 0.640 nan 8.370 nan 0.000 0.505 279 R N -0.663 119.812 120.500 -0.041 0.000 2.740 279 R HA 0.569 4.909 4.340 0.000 0.000 0.282 279 R C -0.609 175.640 176.300 -0.085 0.000 0.969 279 R CA -0.669 55.397 56.100 -0.057 0.000 0.918 279 R CB 1.803 32.065 30.300 -0.063 0.000 1.175 279 R HN -0.136 nan 8.270 nan 0.000 0.464 280 T N 1.775 116.268 114.554 -0.103 0.000 2.806 280 T HA 0.285 4.635 4.350 0.000 0.000 0.290 280 T C -0.201 174.345 174.700 -0.256 0.000 0.966 280 T CA -0.517 61.486 62.100 -0.161 0.000 1.060 280 T CB 1.254 70.044 68.868 -0.129 0.000 0.927 280 T HN 0.117 nan 8.240 nan 0.000 0.485 281 V N 4.558 124.212 119.914 -0.433 0.000 2.427 281 V HA 0.424 4.544 4.120 0.000 0.000 0.286 281 V C -0.210 175.499 176.094 -0.642 0.000 1.034 281 V CA -0.891 61.054 62.300 -0.591 0.000 0.893 281 V CB 1.394 32.690 31.823 -0.879 0.000 0.982 281 V HN 0.641 nan 8.190 nan 0.000 0.452 282 L N 4.714 125.652 121.223 -0.475 0.000 2.282 282 L HA 0.702 5.042 4.340 0.000 0.000 0.288 282 L C 0.001 176.713 176.870 -0.263 0.000 1.033 282 L CA 0.599 55.195 54.840 -0.406 0.000 0.807 282 L CB 1.621 43.335 42.059 -0.575 0.000 1.209 282 L HN 0.665 nan 8.230 nan 0.000 0.423 283 S N 4.030 119.656 115.700 -0.124 0.000 2.502 283 S HA 0.808 5.278 4.470 0.000 0.000 0.304 283 S C -1.231 173.403 174.600 0.056 0.000 1.097 283 S CA -0.530 57.700 58.200 0.049 0.000 1.045 283 S CB 1.196 64.543 63.200 0.245 0.000 1.019 283 S HN 0.463 nan 8.310 nan 0.000 0.481 284 V N 5.833 125.792 119.914 0.075 0.000 2.444 284 V HA 0.522 4.642 4.120 0.000 0.000 0.294 284 V C -0.513 175.639 176.094 0.096 0.000 1.022 284 V CA -0.582 61.762 62.300 0.075 0.000 0.850 284 V CB 1.599 33.464 31.823 0.071 0.000 0.992 284 V HN 0.852 nan 8.190 nan 0.000 0.426 285 Q N 3.927 123.777 119.800 0.084 0.000 2.356 285 Q HA 0.583 4.923 4.340 0.000 0.000 0.270 285 Q C -1.619 174.423 176.000 0.071 0.000 1.058 285 Q CA -1.026 54.827 55.803 0.083 0.000 0.802 285 Q CB 2.983 31.762 28.738 0.068 0.000 1.303 285 Q HN 0.447 nan 8.270 nan 0.000 0.444 286 L N 1.836 123.110 121.223 0.086 0.000 2.292 286 L HA 0.696 5.036 4.340 0.000 0.000 0.284 286 L C -0.104 176.791 176.870 0.042 0.000 1.065 286 L CA 0.238 55.106 54.840 0.047 0.000 0.806 286 L CB 1.229 43.299 42.059 0.019 0.000 1.175 286 L HN 0.816 nan 8.230 nan 0.000 0.431 287 A N 1.581 124.415 122.820 0.024 0.000 2.548 287 A HA 0.944 5.264 4.320 0.000 0.000 0.282 287 A C 0.343 177.937 177.584 0.018 0.000 1.288 287 A CA -0.119 51.935 52.037 0.027 0.000 0.748 287 A CB 0.288 19.304 19.000 0.027 0.000 1.339 287 A HN 1.133 nan 8.150 nan 0.000 0.475 288 G N -1.265 107.548 108.800 0.022 0.000 2.564 288 G HA2 0.145 4.105 3.960 0.000 0.000 0.273 288 G HA3 0.145 4.105 3.960 0.000 0.000 0.273 288 G C 1.245 176.157 174.900 0.020 0.000 1.242 288 G CA 1.633 46.744 45.100 0.018 0.000 0.951 288 G HN 2.211 nan 8.290 nan 0.000 0.564 289 A N -2.017 120.813 122.820 0.016 0.000 1.929 289 A HA 0.186 4.506 4.320 0.000 0.000 0.216 289 A C 2.602 180.196 177.584 0.016 0.000 1.176 289 A CA 2.903 54.953 52.037 0.022 0.000 0.628 289 A CB -0.973 18.041 19.000 0.022 0.000 0.816 289 A HN 1.372 nan 8.150 nan 0.000 0.444 290 T N 0.325 114.875 114.554 -0.007 0.000 2.665 290 T HA -0.199 4.151 4.350 0.000 0.000 0.268 290 T C 1.826 176.490 174.700 -0.059 0.000 1.035 290 T CA 1.779 63.848 62.100 -0.051 0.000 1.151 290 T CB -0.379 68.444 68.868 -0.075 0.000 0.862 290 T HN 0.359 nan 8.240 nan 0.000 0.438 291 L N 0.972 122.181 121.223 -0.023 0.000 2.044 291 L HA -0.006 4.334 4.340 0.000 0.000 0.205 291 L C 2.373 179.280 176.870 0.062 0.000 1.075 291 L CA 1.663 56.501 54.840 -0.003 0.000 0.747 291 L CB -0.706 41.376 42.059 0.038 0.000 0.903 291 L HN 0.042 nan 8.230 nan 0.000 0.435 292 Q N -0.243 119.596 119.800 0.066 0.000 2.226 292 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 292 Q C 2.123 178.183 176.000 0.101 0.000 0.975 292 Q CA 1.461 57.315 55.803 0.086 0.000 0.866 292 Q CB -0.471 28.304 28.738 0.061 0.000 0.915 292 Q HN 0.775 nan 8.270 nan 0.000 0.440 293 S N -1.095 114.661 115.700 0.094 0.000 2.554 293 S HA 0.086 4.556 4.470 0.000 0.000 0.226 293 S C 1.504 176.228 174.600 0.205 0.000 0.980 293 S CA -0.312 57.967 58.200 0.132 0.000 0.939 293 S CB 0.102 63.380 63.200 0.129 0.000 0.832 293 S HN 0.147 nan 8.310 nan 0.000 0.486 294 L N 3.691 124.995 121.223 0.135 0.000 2.131 294 L HA -0.062 4.278 4.340 0.000 0.000 0.210 294 L C 1.976 179.007 176.870 0.270 0.000 1.092 294 L CA 2.117 56.983 54.840 0.043 0.000 0.759 294 L CB -0.708 41.168 42.059 -0.305 0.000 0.903 294 L HN 0.482 nan 8.230 nan 0.000 0.435 295 D N -1.282 119.357 120.400 0.398 0.000 2.351 295 D HA -0.264 4.376 4.640 0.000 0.000 0.216 295 D C 1.400 177.809 176.300 0.182 0.000 0.968 295 D CA 0.950 55.151 54.000 0.336 0.000 0.899 295 D CB -0.326 40.569 40.800 0.158 0.000 0.907 295 D HN 0.566 nan 8.370 nan 0.000 0.514 296 Q N -0.594 119.298 119.800 0.153 0.000 2.360 296 Q HA 0.080 4.420 4.340 0.000 0.000 0.202 296 Q C 0.572 176.488 176.000 -0.140 0.000 0.915 296 Q CA 0.288 56.092 55.803 0.001 0.000 0.943 296 Q CB 0.231 28.933 28.738 -0.060 0.000 1.064 296 Q HN 0.557 nan 8.270 nan 0.000 0.511 297 H N 1.169 120.250 119.070 0.019 0.000 2.469 297 H HA 0.116 4.672 4.556 0.000 0.000 0.286 297 H C -0.240 175.089 175.328 0.002 0.000 1.106 297 H CA -0.296 55.745 56.048 -0.012 0.000 1.055 297 H CB 0.305 30.030 29.762 -0.062 0.000 1.618 297 H HN 0.216 nan 8.280 nan 0.000 0.559 298 K N 1.412 121.875 120.400 0.106 0.000 2.524 298 K HA -0.100 4.220 4.320 0.000 0.000 0.279 298 K C -0.306 176.337 176.600 0.071 0.000 0.993 298 K CA 0.337 56.686 56.287 0.102 0.000 1.030 298 K CB 0.682 33.232 32.500 0.084 0.000 0.891 298 K HN 0.081 nan 8.250 nan 0.000 0.488 299 D N 0.352 120.798 120.400 0.076 0.000 2.978 299 D HA -0.186 4.454 4.640 0.000 0.000 0.205 299 D C -0.411 175.920 176.300 0.051 0.000 1.093 299 D CA 1.348 55.385 54.000 0.061 0.000 1.006 299 D CB -0.798 40.031 40.800 0.047 0.000 1.116 299 D HN 0.775 nan 8.370 nan 0.000 0.419 300 Q N 0.320 120.153 119.800 0.055 0.000 2.382 300 Q HA 0.387 4.727 4.340 0.000 0.000 0.229 300 Q C 0.289 176.308 176.000 0.032 0.000 1.006 300 Q CA 0.059 55.892 55.803 0.051 0.000 0.916 300 Q CB 0.980 29.769 28.738 0.085 0.000 1.235 300 Q HN 0.167 nan 8.270 nan 0.000 0.512 301 E N 1.086 121.303 120.200 0.028 0.000 2.175 301 E HA 0.254 4.604 4.350 0.000 0.000 0.278 301 E C -1.228 175.377 176.600 0.008 0.000 0.969 301 E CA -0.632 55.784 56.400 0.027 0.000 0.796 301 E CB 1.227 30.948 29.700 0.034 0.000 1.104 301 E HN 0.220 nan 8.360 nan 0.000 0.395 302 L N 4.389 125.619 121.223 0.011 0.000 2.260 302 L HA 0.255 4.595 4.340 0.000 0.000 0.289 302 L C -1.238 175.667 176.870 0.057 0.000 1.057 302 L CA -0.412 54.437 54.840 0.014 0.000 0.811 302 L CB 1.020 43.093 42.059 0.024 0.000 1.184 302 L HN 0.242 nan 8.230 nan 0.000 0.429 303 V N 6.060 126.002 119.914 0.046 0.000 2.409 303 V HA 0.513 4.633 4.120 0.000 0.000 0.291 303 V C -0.376 175.761 176.094 0.071 0.000 1.020 303 V CA -0.687 61.647 62.300 0.057 0.000 0.848 303 V CB 1.768 33.616 31.823 0.041 0.000 0.990 303 V HN 0.487 nan 8.190 nan 0.000 0.430 304 V N 4.773 124.747 119.914 0.100 0.000 2.448 304 V HA 0.548 4.668 4.120 0.000 0.000 0.295 304 V C -0.201 175.991 176.094 0.163 0.000 1.025 304 V CA -0.557 61.825 62.300 0.138 0.000 0.859 304 V CB 1.764 33.688 31.823 0.169 0.000 0.988 304 V HN 0.943 nan 8.190 nan 0.000 0.431 305 E N 4.404 124.700 120.200 0.161 0.000 2.288 305 E HA 0.783 5.133 4.350 0.000 0.000 0.268 305 E C -1.458 175.276 176.600 0.223 0.000 0.885 305 E CA -0.573 55.893 56.400 0.111 0.000 0.767 305 E CB 3.006 32.721 29.700 0.025 0.000 1.220 305 E HN 0.606 nan 8.360 nan 0.000 0.427 306 F N -1.361 118.605 119.950 0.026 0.000 2.693 306 F HA 0.548 5.075 4.527 0.000 0.000 0.309 306 F C -1.052 174.732 175.800 -0.027 0.000 1.129 306 F CA -0.987 57.019 58.000 0.010 0.000 0.948 306 F CB 1.276 40.292 39.000 0.027 0.000 1.315 306 F HN 0.205 nan 8.300 nan 0.000 0.447 307 E N 1.171 121.427 120.200 0.094 0.000 2.227 307 E HA 0.815 5.165 4.350 0.000 0.000 0.268 307 E C -1.230 175.427 176.600 0.096 0.000 0.907 307 E CA -1.488 54.882 56.400 -0.048 0.000 0.786 307 E CB 2.353 32.019 29.700 -0.057 0.000 1.191 307 E HN 0.951 nan 8.360 nan 0.000 0.411 308 A N 2.717 125.538 122.820 0.001 0.000 2.572 308 A HA 0.603 4.923 4.320 0.000 0.000 0.295 308 A C -2.747 174.827 177.584 -0.017 0.000 1.072 308 A CA -1.530 50.541 52.037 0.056 0.000 0.691 308 A CB 1.625 20.725 19.000 0.166 0.000 1.291 308 A HN 0.340 nan 8.150 nan 0.000 0.404 309 P HA 0.305 nan 4.420 nan 0.000 0.281 309 P C -0.455 176.857 177.300 0.020 0.000 1.252 309 P CA 0.006 63.113 63.100 0.012 0.000 0.778 309 P CB 1.112 32.825 31.700 0.022 0.000 0.895 310 V N 4.225 124.162 119.914 0.040 0.000 2.387 310 V HA 0.058 4.178 4.120 0.000 0.000 0.260 310 V C 1.902 178.027 176.094 0.052 0.000 1.054 310 V CA 0.596 62.933 62.300 0.062 0.000 0.967 310 V CB -0.141 31.780 31.823 0.165 0.000 1.036 310 V HN 0.720 nan 8.190 nan 0.000 0.481 311 T N 1.523 116.088 114.554 0.019 0.000 3.037 311 T HA 0.190 4.540 4.350 0.000 0.000 0.252 311 T C 0.462 175.165 174.700 0.005 0.000 1.073 311 T CA 0.093 62.203 62.100 0.017 0.000 1.091 311 T CB 0.144 69.017 68.868 0.010 0.000 0.935 311 T HN 0.683 nan 8.240 nan 0.000 0.488 312 K N 0.192 120.574 120.400 -0.030 0.000 2.575 312 K HA 0.375 4.695 4.320 0.000 0.000 0.279 312 K C -1.346 175.171 176.600 -0.140 0.000 0.969 312 K CA -1.049 55.208 56.287 -0.050 0.000 0.868 312 K CB 1.479 33.955 32.500 -0.041 0.000 1.457 312 K HN 0.051 nan 8.250 nan 0.000 0.426 313 Q N 1.836 121.560 119.800 -0.127 0.000 2.271 313 Q HA 0.170 4.510 4.340 0.000 0.000 0.273 313 Q C -2.044 173.829 176.000 -0.213 0.000 1.051 313 Q CA -1.559 54.112 55.803 -0.220 0.000 0.901 313 Q CB 0.332 29.026 28.738 -0.072 0.000 1.174 313 Q HN 0.278 nan 8.270 nan 0.000 0.385 314 P HA -0.058 nan 4.420 nan 0.000 0.265 314 P C -0.440 176.813 177.300 -0.079 0.000 1.193 314 P CA 0.345 63.343 63.100 -0.169 0.000 0.765 314 P CB 0.608 32.206 31.700 -0.170 0.000 0.823 315 E N 2.114 122.287 120.200 -0.046 0.000 2.204 315 E HA -0.173 4.177 4.350 0.000 0.000 0.195 315 E C 0.860 177.458 176.600 -0.004 0.000 0.990 315 E CA 1.009 57.396 56.400 -0.022 0.000 0.821 315 E CB -0.157 29.532 29.700 -0.018 0.000 0.750 315 E HN 0.546 nan 8.360 nan 0.000 0.477 316 N N -0.688 118.014 118.700 0.004 0.000 2.214 316 N HA 0.058 4.798 4.740 0.000 0.000 0.214 316 N C 1.052 176.593 175.510 0.052 0.000 1.132 316 N CA 0.625 53.689 53.050 0.023 0.000 0.856 316 N CB 0.708 39.209 38.487 0.023 0.000 1.020 316 N HN 0.120 nan 8.380 nan 0.000 0.509 317 G N -0.066 108.770 108.800 0.060 0.000 2.189 317 G HA2 -0.291 3.669 3.960 0.000 0.000 0.267 317 G HA3 -0.291 3.669 3.960 0.000 0.000 0.267 317 G C -0.434 174.595 174.900 0.215 0.000 0.975 317 G CA 0.362 45.549 45.100 0.146 0.000 0.644 317 G HN 0.442 nan 8.290 nan 0.000 0.537 318 Q N -0.307 119.573 119.800 0.132 0.000 2.368 318 Q HA 0.596 4.936 4.340 0.000 0.000 0.256 318 Q C -0.234 175.843 176.000 0.128 0.000 0.980 318 Q CA -0.629 55.272 55.803 0.163 0.000 0.887 318 Q CB 1.681 30.484 28.738 0.108 0.000 1.221 318 Q HN 0.430 nan 8.270 nan 0.000 0.458 319 L N 3.917 125.272 121.223 0.220 0.000 2.287 319 L HA 0.356 4.696 4.340 0.000 0.000 0.280 319 L C -1.139 175.853 176.870 0.204 0.000 1.055 319 L CA -0.071 54.873 54.840 0.174 0.000 0.863 319 L CB 0.459 42.671 42.059 0.255 0.000 1.245 319 L HN 0.274 nan 8.230 nan 0.000 0.432 320 D N 3.117 123.588 120.400 0.119 0.000 2.256 320 D HA 0.424 5.064 4.640 0.000 0.000 0.246 320 D C -0.881 175.429 176.300 0.016 0.000 1.042 320 D CA -0.121 53.928 54.000 0.083 0.000 0.841 320 D CB 1.687 42.524 40.800 0.063 0.000 1.223 320 D HN 0.440 nan 8.370 nan 0.000 0.470 321 N N 1.035 119.698 118.700 -0.061 0.000 2.229 321 N HA 0.388 5.128 4.740 0.000 0.000 0.298 321 N C -1.598 173.811 175.510 -0.168 0.000 1.114 321 N CA -0.453 52.478 53.050 -0.198 0.000 0.776 321 N CB 1.777 39.896 38.487 -0.613 0.000 1.501 321 N HN 0.198 nan 8.380 nan 0.000 0.474 322 Q N 0.829 120.553 119.800 -0.126 0.000 2.379 322 Q HA 0.774 5.114 4.340 0.000 0.000 0.278 322 Q C -1.470 174.482 176.000 -0.080 0.000 1.068 322 Q CA -1.056 54.663 55.803 -0.140 0.000 0.816 322 Q CB 2.374 31.022 28.738 -0.149 0.000 1.387 322 Q HN 0.690 nan 8.270 nan 0.000 0.413 323 A N 1.118 123.859 122.820 -0.131 0.000 2.313 323 A HA 0.864 5.184 4.320 0.000 0.000 0.323 323 A C -1.895 175.618 177.584 -0.119 0.000 1.133 323 A CA -0.402 51.643 52.037 0.014 0.000 0.847 323 A CB 0.973 20.001 19.000 0.048 0.000 1.308 323 A HN 0.626 nan 8.150 nan 0.000 0.475 324 W N -0.749 120.553 121.300 0.002 0.000 2.998 324 W HA 0.542 5.202 4.660 0.000 0.000 0.335 324 W C -0.650 175.942 176.519 0.122 0.000 1.110 324 W CA -0.491 56.893 57.345 0.065 0.000 1.230 324 W CB 1.925 31.422 29.460 0.060 0.000 1.405 324 W HN 0.526 nan 8.180 nan 0.000 0.493 325 V N 5.423 125.493 119.914 0.261 0.000 2.435 325 V HA 0.720 4.840 4.120 0.000 0.000 0.290 325 V C -1.391 174.720 176.094 0.029 0.000 1.030 325 V CA -0.881 61.450 62.300 0.051 0.000 0.881 325 V CB 1.262 33.011 31.823 -0.123 0.000 0.983 325 V HN 0.465 nan 8.190 nan 0.000 0.445 326 L N 9.099 130.225 121.223 -0.160 0.000 2.362 326 L HA 0.753 5.093 4.340 0.000 0.000 0.275 326 L C -2.368 174.289 176.870 -0.355 0.000 0.998 326 L CA -1.622 53.046 54.840 -0.287 0.000 0.820 326 L CB 2.656 44.321 42.059 -0.657 0.000 1.270 326 L HN 0.506 nan 8.230 nan 0.000 0.415 327 P HA 0.214 nan 4.420 nan 0.000 0.212 327 P C -0.779 176.527 177.300 0.010 0.000 1.816 327 P CA 0.088 63.166 63.100 -0.037 0.000 0.944 327 P CB 0.357 32.147 31.700 0.150 0.000 1.896 328 S N 1.144 116.789 115.700 -0.092 0.000 2.578 328 S HA 0.432 4.902 4.470 0.000 0.000 0.272 328 S C -1.599 172.928 174.600 -0.121 0.000 1.145 328 S CA -0.610 57.538 58.200 -0.086 0.000 0.835 328 S CB 0.741 63.850 63.200 -0.152 0.000 1.104 328 S HN -0.034 nan 8.310 nan 0.000 0.458 329 N N 2.961 121.619 118.700 -0.071 0.000 2.776 329 N HA 0.428 5.169 4.740 0.000 0.000 0.245 329 N C -2.895 172.576 175.510 -0.065 0.000 1.121 329 N CA -1.035 51.984 53.050 -0.052 0.000 0.852 329 N CB 1.204 39.692 38.487 0.003 0.000 1.142 329 N HN 0.363 nan 8.380 nan 0.000 0.514 330 P HA 0.069 nan 4.420 nan 0.000 0.268 330 P C 1.115 178.387 177.300 -0.046 0.000 1.205 330 P CA -0.124 62.919 63.100 -0.095 0.000 0.771 330 P CB 0.753 32.372 31.700 -0.135 0.000 0.858 331 T N -0.703 113.829 114.554 -0.037 0.000 2.942 331 T HA 0.110 4.460 4.350 0.000 0.000 0.265 331 T C 0.887 175.556 174.700 -0.052 0.000 1.062 331 T CA 0.429 62.505 62.100 -0.039 0.000 1.139 331 T CB -0.308 68.537 68.868 -0.039 0.000 0.883 331 T HN 0.470 nan 8.240 nan 0.000 0.468 332 A N 1.262 124.054 122.820 -0.046 0.000 2.302 332 A HA 0.502 4.822 4.320 0.000 0.000 0.285 332 A C 0.029 177.559 177.584 -0.091 0.000 1.105 332 A CA -0.766 51.234 52.037 -0.062 0.000 0.816 332 A CB 0.320 19.303 19.000 -0.029 0.000 1.067 332 A HN 0.500 nan 8.150 nan 0.000 0.489 333 Q N 0.640 120.314 119.800 -0.211 0.000 2.263 333 Q HA 0.057 4.397 4.340 0.000 0.000 0.270 333 Q C -1.047 174.859 176.000 -0.156 0.000 1.104 333 Q CA 0.254 55.770 55.803 -0.478 0.000 0.909 333 Q CB 0.543 28.692 28.738 -0.981 0.000 1.214 333 Q HN 0.634 nan 8.270 nan 0.000 0.400 334 W N 4.643 125.854 121.300 -0.149 0.000 2.311 334 W HA 0.107 4.767 4.660 0.000 0.000 0.310 334 W C -0.555 176.030 176.519 0.110 0.000 1.274 334 W CA -0.826 56.513 57.345 -0.009 0.000 1.215 334 W CB 0.657 30.111 29.460 -0.010 0.000 1.227 334 W HN 0.451 nan 8.180 nan 0.000 0.523 335 D N 8.717 128.926 120.400 -0.318 0.000 2.359 335 D HA 0.207 4.847 4.640 0.000 0.000 0.230 335 D C -1.334 174.272 176.300 -1.157 0.000 1.118 335 D CA -2.403 51.282 54.000 -0.524 0.000 0.844 335 D CB 1.834 42.473 40.800 -0.269 0.000 1.059 335 D HN 0.203 nan 8.370 nan 0.000 0.493 336 P HA -0.068 nan 4.420 nan 0.000 0.226 336 P C 0.080 176.444 177.300 -1.559 0.000 1.153 336 P CA 0.774 62.675 63.100 -1.998 0.000 0.777 336 P CB 0.357 30.935 31.700 -1.870 0.000 0.794 337 E N -0.084 119.542 120.200 -0.958 0.000 2.423 337 E HA 0.093 4.443 4.350 0.000 0.000 0.198 337 E C 0.467 176.849 176.600 -0.365 0.000 1.038 337 E CA -0.222 55.821 56.400 -0.595 0.000 1.011 337 E CB 0.216 29.740 29.700 -0.293 0.000 1.118 337 E HN 0.380 nan 8.360 nan 0.000 0.451 338 E N 1.015 120.986 120.200 -0.382 0.000 2.283 338 E HA 0.189 4.539 4.350 0.000 0.000 0.271 338 E C -0.029 176.479 176.600 -0.153 0.000 1.031 338 E CA -0.089 56.188 56.400 -0.206 0.000 0.868 338 E CB 0.888 30.493 29.700 -0.158 0.000 1.094 338 E HN 0.106 nan 8.360 nan 0.000 0.401 339 S N 1.328 116.982 115.700 -0.077 0.000 3.041 339 S HA 0.235 4.705 4.470 0.000 0.000 0.244 339 S C 0.359 174.952 174.600 -0.011 0.000 0.837 339 S CA -0.343 57.833 58.200 -0.039 0.000 1.206 339 S CB 0.083 63.263 63.200 -0.033 0.000 1.218 339 S HN 0.545 nan 8.310 nan 0.000 0.591 340 G N 2.141 110.936 108.800 -0.008 0.000 2.684 340 G HA2 0.319 4.279 3.960 0.000 0.000 0.255 340 G HA3 0.319 4.279 3.960 0.000 0.000 0.255 340 G C 0.782 175.686 174.900 0.008 0.000 1.219 340 G CA 0.244 45.344 45.100 0.001 0.000 0.901 340 G HN 0.353 nan 8.290 nan 0.000 0.548 341 D N -0.641 119.764 120.400 0.008 0.000 2.218 341 D HA -0.117 4.523 4.640 0.000 0.000 0.204 341 D C 2.114 178.420 176.300 0.010 0.000 0.976 341 D CA 1.303 55.309 54.000 0.009 0.000 0.853 341 D CB -0.330 40.474 40.800 0.006 0.000 0.939 341 D HN 0.332 nan 8.370 nan 0.000 0.481 342 A N 0.594 123.422 122.820 0.012 0.000 2.123 342 A HA 0.418 4.738 4.320 0.000 0.000 0.214 342 A C 1.572 179.169 177.584 0.020 0.000 1.152 342 A CA 0.550 52.596 52.037 0.015 0.000 0.728 342 A CB -0.478 18.532 19.000 0.017 0.000 0.814 342 A HN 0.430 nan 8.150 nan 0.000 0.464 343 A N 0.158 122.995 122.820 0.029 0.000 2.511 343 A HA 0.450 4.770 4.320 0.000 0.000 0.242 343 A C 0.240 177.860 177.584 0.059 0.000 1.069 343 A CA -0.285 51.786 52.037 0.057 0.000 0.763 343 A CB -0.272 18.758 19.000 0.050 0.000 1.001 343 A HN 0.463 nan 8.150 nan 0.000 0.498 344 L N 2.329 123.595 121.223 0.071 0.000 2.562 344 L HA 0.122 4.462 4.340 0.000 0.000 0.271 344 L C 0.938 177.878 176.870 0.117 0.000 1.167 344 L CA -0.034 54.800 54.840 -0.010 0.000 0.917 344 L CB -0.069 41.840 42.059 -0.250 0.000 1.187 344 L HN 0.749 nan 8.230 nan 0.000 0.482 345 R N 3.214 123.758 120.500 0.073 0.000 2.216 345 R HA 0.394 4.734 4.340 0.000 0.000 0.332 345 R C 0.216 176.651 176.300 0.225 0.000 1.056 345 R CA -0.103 56.091 56.100 0.157 0.000 0.901 345 R CB 0.904 31.268 30.300 0.106 0.000 1.039 345 R HN 0.624 nan 8.270 nan 0.000 0.456 349 S N 0.679 116.093 115.700 -0.476 0.000 2.608 349 S HA 0.474 4.944 4.470 0.000 0.000 0.261 349 S C 0.657 175.126 174.600 -0.219 0.000 1.314 349 S CA 0.046 58.097 58.200 -0.249 0.000 0.992 349 S CB 0.316 63.407 63.200 -0.182 0.000 0.935 349 S HN 0.861 nan 8.310 nan 0.000 0.564 350 S N 0.739 116.364 115.700 -0.125 0.000 2.559 350 S HA 0.179 4.649 4.470 0.000 0.000 0.282 350 S C 0.029 174.573 174.600 -0.093 0.000 1.336 350 S CA -0.535 57.612 58.200 -0.088 0.000 1.037 350 S CB -0.189 62.985 63.200 -0.043 0.000 0.853 350 S HN 0.772 nan 8.310 nan 0.000 0.523 351 R N 0.648 121.110 120.500 -0.064 0.000 2.459 351 R HA 0.626 4.966 4.340 0.000 0.000 0.281 351 R C -1.019 175.276 176.300 -0.009 0.000 1.050 351 R CA -0.737 55.334 56.100 -0.049 0.000 1.055 351 R CB 1.109 31.394 30.300 -0.026 0.000 1.045 351 R HN 0.509 nan 8.270 nan 0.000 0.495 352 V N 1.178 121.091 119.914 -0.003 0.000 2.487 352 V HA 0.313 4.433 4.120 0.000 0.000 0.298 352 V C -0.551 175.605 176.094 0.104 0.000 1.028 352 V CA -0.532 61.806 62.300 0.064 0.000 0.860 352 V CB 1.845 33.718 31.823 0.083 0.000 0.991 352 V HN 0.757 nan 8.190 nan 0.000 0.427 353 S N 3.237 119.030 115.700 0.154 0.000 2.659 353 S HA 0.578 5.048 4.470 0.000 0.000 0.312 353 S C -0.429 174.334 174.600 0.272 0.000 1.114 353 S CA -0.377 57.940 58.200 0.194 0.000 1.063 353 S CB 1.207 64.502 63.200 0.159 0.000 0.996 353 S HN 0.715 nan 8.310 nan 0.000 0.478 354 S N 4.983 120.888 115.700 0.342 0.000 2.462 354 S HA 0.502 4.972 4.470 0.000 0.000 0.294 354 S C -0.660 174.220 174.600 0.466 0.000 1.144 354 S CA -0.910 57.532 58.200 0.403 0.000 1.088 354 S CB 0.837 64.300 63.200 0.438 0.000 1.009 354 S HN 0.595 nan 8.310 nan 0.000 0.484 355 K N 2.514 123.147 120.400 0.388 0.000 2.185 355 K HA 0.511 4.831 4.320 0.000 0.000 0.269 355 K C -1.046 175.684 176.600 0.217 0.000 0.987 355 K CA -0.199 56.293 56.287 0.342 0.000 0.865 355 K CB 0.743 33.410 32.500 0.278 0.000 1.090 355 K HN 0.413 nan 8.250 nan 0.000 0.450 356 F N -0.257 119.793 119.950 0.167 0.000 2.538 356 F HA 0.628 5.155 4.527 0.000 0.000 0.325 356 F C 0.920 176.752 175.800 0.054 0.000 1.066 356 F CA -0.461 57.616 58.000 0.128 0.000 0.946 356 F CB 2.379 41.446 39.000 0.111 0.000 1.199 356 F HN 0.590 nan 8.300 nan 0.000 0.473 357 G N 0.671 109.565 108.800 0.156 0.000 2.642 357 G HA2 0.587 4.547 3.960 0.000 0.000 0.293 357 G HA3 0.587 4.547 3.960 0.000 0.000 0.293 357 G C -2.252 172.630 174.900 -0.030 0.000 1.341 357 G CA -0.653 44.460 45.100 0.022 0.000 0.916 357 G HN 0.570 nan 8.290 nan 0.000 0.474 358 Q N 0.135 119.887 119.800 -0.079 0.000 2.315 358 Q HA 0.596 4.936 4.340 0.000 0.000 0.273 358 Q C -1.586 174.317 176.000 -0.163 0.000 1.053 358 Q CA -0.690 55.044 55.803 -0.114 0.000 0.817 358 Q CB 2.262 30.964 28.738 -0.060 0.000 1.326 358 Q HN 0.495 nan 8.270 nan 0.000 0.423 359 I N 2.540 122.976 120.570 -0.223 0.000 2.404 359 I HA 0.377 4.547 4.170 0.000 0.000 0.293 359 I C -0.585 175.405 176.117 -0.211 0.000 0.992 359 I CA -0.545 60.616 61.300 -0.232 0.000 1.149 359 I CB 2.269 40.087 38.000 -0.304 0.000 1.315 359 I HN 0.543 nan 8.210 nan 0.000 0.446 360 T N 6.939 121.390 114.554 -0.170 0.000 2.791 360 T HA 0.554 4.904 4.350 0.000 0.000 0.288 360 T C -0.069 174.530 174.700 -0.169 0.000 0.999 360 T CA -0.346 61.665 62.100 -0.149 0.000 0.952 360 T CB 0.743 69.549 68.868 -0.102 0.000 0.938 360 T HN 0.242 nan 8.240 nan 0.000 0.444 361 I N 3.087 123.539 120.570 -0.196 0.000 2.428 361 I HA 0.281 4.451 4.170 0.000 0.000 0.289 361 I C 0.532 176.560 176.117 -0.149 0.000 1.019 361 I CA -0.353 60.805 61.300 -0.237 0.000 1.351 361 I CB 0.917 38.693 38.000 -0.374 0.000 1.412 361 I HN 0.534 nan 8.210 nan 0.000 0.513 362 E N 5.703 125.821 120.200 -0.138 0.000 2.331 362 E HA 0.277 4.627 4.350 0.000 0.000 0.243 362 E C -0.959 175.583 176.600 -0.097 0.000 0.925 362 E CA -0.861 55.486 56.400 -0.088 0.000 0.760 362 E CB 1.809 31.467 29.700 -0.071 0.000 1.254 362 E HN 0.245 nan 8.360 nan 0.000 0.419 363 K N 1.829 122.182 120.400 -0.078 0.000 2.156 363 K HA 0.348 4.668 4.320 0.000 0.000 0.271 363 K C -0.690 175.820 176.600 -0.150 0.000 0.995 363 K CA -0.376 55.833 56.287 -0.130 0.000 0.890 363 K CB 1.072 33.532 32.500 -0.066 0.000 1.073 363 K HN 0.445 nan 8.250 nan 0.000 0.454 364 S N 2.166 117.704 115.700 -0.270 0.000 2.634 364 S HA 0.688 5.158 4.470 0.000 0.000 0.296 364 S C -1.013 173.294 174.600 -0.489 0.000 1.104 364 S CA -0.872 57.211 58.200 -0.195 0.000 0.920 364 S CB 0.741 63.892 63.200 -0.081 0.000 1.111 364 S HN 0.326 nan 8.310 nan 0.000 0.493 365 F N 0.954 120.843 119.950 -0.101 0.000 2.496 365 F HA 0.407 4.934 4.527 0.000 0.000 0.341 365 F C 0.119 175.939 175.800 0.033 0.000 1.134 365 F CA -0.610 57.275 58.000 -0.191 0.000 0.968 365 F CB 1.225 39.976 39.000 -0.416 0.000 1.205 365 F HN 0.714 nan 8.300 nan 0.000 0.436 366 D N 3.121 123.668 120.400 0.246 0.000 2.686 366 D HA -0.212 4.428 4.640 0.000 0.000 0.235 366 D C 1.321 177.691 176.300 0.116 0.000 1.160 366 D CA 1.611 55.729 54.000 0.196 0.000 0.645 366 D CB -0.525 40.419 40.800 0.241 0.000 1.039 366 D HN 1.130 nan 8.370 nan 0.000 0.423 367 G N -0.360 108.482 108.800 0.069 0.000 2.162 367 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 367 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 367 G C 0.231 175.162 174.900 0.051 0.000 0.976 367 G CA 0.359 45.484 45.100 0.043 0.000 0.655 367 G HN 0.469 nan 8.290 nan 0.000 0.533 368 N N 0.490 119.239 118.700 0.082 0.000 2.430 368 N HA 0.460 5.200 4.740 0.000 0.000 0.298 368 N C 0.245 175.814 175.510 0.098 0.000 1.130 368 N CA -0.087 53.014 53.050 0.086 0.000 0.894 368 N CB 1.044 39.593 38.487 0.104 0.000 1.209 368 N HN 0.110 nan 8.380 nan 0.000 0.503 369 T N 2.386 116.986 114.554 0.077 0.000 2.933 369 T HA 0.029 4.379 4.350 0.000 0.000 0.306 369 T C -1.274 173.501 174.700 0.125 0.000 1.045 369 T CA -0.478 61.672 62.100 0.083 0.000 1.143 369 T CB 0.587 69.487 68.868 0.054 0.000 1.003 369 T HN 0.333 nan 8.240 nan 0.000 0.540 370 P HA 0.041 nan 4.420 nan 0.000 0.215 370 P C 1.083 178.399 177.300 0.028 0.000 1.157 370 P CA 1.475 64.690 63.100 0.191 0.000 0.863 370 P CB -0.246 31.627 31.700 0.288 0.000 0.787 371 G N -1.005 107.816 108.800 0.035 0.000 2.642 371 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 371 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 371 G C 0.986 175.878 174.900 -0.013 0.000 1.338 371 G CA -0.063 45.042 45.100 0.008 0.000 0.883 371 G HN 0.353 nan 8.290 nan 0.000 0.570 372 A N -0.588 122.222 122.820 -0.016 0.000 2.119 372 A HA 0.273 4.593 4.320 0.000 0.000 0.217 372 A C 1.708 179.270 177.584 -0.037 0.000 1.153 372 A CA 2.305 54.331 52.037 -0.019 0.000 0.692 372 A CB -0.233 18.761 19.000 -0.011 0.000 0.799 372 A HN 1.456 nan 8.150 nan 0.000 0.458 373 D N -1.415 118.947 120.400 -0.063 0.000 2.501 373 D HA 0.143 4.783 4.640 0.000 0.000 0.224 373 D C 0.095 176.303 176.300 -0.154 0.000 1.202 373 D CA -0.195 53.756 54.000 -0.081 0.000 0.829 373 D CB -0.099 40.666 40.800 -0.059 0.000 1.023 373 D HN 0.284 nan 8.370 nan 0.000 0.499 374 R N -0.456 119.911 120.500 -0.221 0.000 2.514 374 R HA 0.602 4.942 4.340 0.000 0.000 0.296 374 R C -1.219 174.908 176.300 -0.289 0.000 1.012 374 R CA -0.444 55.368 56.100 -0.480 0.000 0.897 374 R CB 2.271 32.005 30.300 -0.943 0.000 1.184 374 R HN -0.122 nan 8.270 nan 0.000 0.440 375 T N 1.160 115.609 114.554 -0.175 0.000 2.993 375 T HA 0.710 5.060 4.350 0.000 0.000 0.312 375 T C -1.419 173.364 174.700 0.138 0.000 1.115 375 T CA -0.514 61.612 62.100 0.044 0.000 1.027 375 T CB 1.928 70.800 68.868 0.006 0.000 1.116 375 T HN 0.676 nan 8.240 nan 0.000 0.464 376 A N 2.102 125.045 122.820 0.205 0.000 2.469 376 A HA 0.916 5.236 4.320 0.000 0.000 0.299 376 A C -0.610 176.981 177.584 0.012 0.000 1.098 376 A CA -0.719 51.368 52.037 0.084 0.000 0.737 376 A CB 1.777 20.827 19.000 0.083 0.000 1.312 376 A HN 0.665 nan 8.150 nan 0.000 0.414 377 T N 1.065 115.498 114.554 -0.201 0.000 2.861 377 T HA 0.678 5.028 4.350 0.000 0.000 0.287 377 T C -1.192 173.292 174.700 -0.360 0.000 1.003 377 T CA 0.071 62.107 62.100 -0.106 0.000 0.977 377 T CB 0.485 69.321 68.868 -0.052 0.000 0.996 377 T HN 0.368 nan 8.240 nan 0.000 0.448 378 F N 1.134 121.159 119.950 0.126 0.000 2.577 378 F HA 0.566 5.093 4.527 0.000 0.000 0.318 378 F C 0.472 176.403 175.800 0.219 0.000 1.065 378 F CA -1.066 57.025 58.000 0.152 0.000 0.929 378 F CB 1.983 41.065 39.000 0.137 0.000 1.237 378 F HN 0.273 nan 8.300 nan 0.000 0.468 379 Q N 1.669 121.705 119.800 0.395 0.000 2.365 379 Q HA 0.535 4.876 4.340 0.000 0.000 0.269 379 Q C -1.594 174.574 176.000 0.280 0.000 1.061 379 Q CA -1.278 54.713 55.803 0.313 0.000 0.816 379 Q CB 3.289 32.149 28.738 0.203 0.000 1.325 379 Q HN 0.493 nan 8.270 nan 0.000 0.446 380 L N 2.554 123.875 121.223 0.164 0.000 2.292 380 L HA 0.394 4.734 4.340 0.000 0.000 0.284 380 L C -0.959 175.855 176.870 -0.093 0.000 1.065 380 L CA 0.251 55.126 54.840 0.057 0.000 0.806 380 L CB 0.559 42.606 42.059 -0.020 0.000 1.175 380 L HN 0.598 nan 8.230 nan 0.000 0.431 381 H N 3.760 122.897 119.070 0.112 0.000 2.960 381 H HA 0.587 5.143 4.556 0.000 0.000 0.338 381 H C -0.766 174.583 175.328 0.035 0.000 1.261 381 H CA -0.984 55.118 56.048 0.089 0.000 1.136 381 H CB 1.859 31.667 29.762 0.075 0.000 1.875 381 H HN 0.410 nan 8.280 nan 0.000 0.550 382 R N 0.509 121.093 120.500 0.139 0.000 2.474 382 R HA 0.456 4.796 4.340 0.000 0.000 0.295 382 R C -0.734 175.569 176.300 0.006 0.000 0.980 382 R CA -0.418 55.659 56.100 -0.037 0.000 0.934 382 R CB 1.219 31.482 30.300 -0.061 0.000 1.101 382 R HN 0.419 nan 8.270 nan 0.000 0.469 383 c N 1.501 120.071 118.600 -0.050 0.000 2.563 383 c HA 0.375 4.945 4.570 0.000 0.000 0.314 383 c C 0.222 174.285 174.090 -0.045 0.000 1.199 383 c CA -0.756 55.554 56.329 -0.032 0.000 1.564 383 c CB 2.029 44.526 42.510 -0.022 0.000 2.173 383 c HN 0.666 nan 8.230 nan 0.000 0.485 384 E N 0.871 121.053 120.200 -0.030 0.000 2.376 384 E HA 0.233 4.583 4.350 0.000 0.000 0.254 384 E C 1.036 177.619 176.600 -0.029 0.000 1.213 384 E CA 0.066 56.449 56.400 -0.029 0.000 0.945 384 E CB 0.501 30.189 29.700 -0.019 0.000 1.057 384 E HN 0.767 nan 8.360 nan 0.000 0.479 385 A N 1.331 124.136 122.820 -0.026 0.000 1.948 385 A HA -0.224 4.096 4.320 0.000 0.000 0.220 385 A C 1.277 178.850 177.584 -0.019 0.000 1.177 385 A CA 2.216 54.239 52.037 -0.023 0.000 0.636 385 A CB -0.578 18.411 19.000 -0.019 0.000 0.815 385 A HN 0.589 nan 8.150 nan 0.000 0.449 386 D N -2.224 118.166 120.400 -0.016 0.000 2.336 386 D HA 0.285 4.925 4.640 0.000 0.000 0.229 386 D C 1.160 177.452 176.300 -0.013 0.000 1.061 386 D CA 0.912 54.904 54.000 -0.013 0.000 0.875 386 D CB -0.657 40.136 40.800 -0.011 0.000 0.904 386 D HN 0.798 nan 8.370 nan 0.000 0.525 387 G N 0.122 108.912 108.800 -0.015 0.000 2.199 387 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 387 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 387 G C 0.435 175.326 174.900 -0.014 0.000 0.982 387 G CA 0.457 45.550 45.100 -0.013 0.000 0.632 387 G HN 0.850 nan 8.290 nan 0.000 0.529 388 S N 0.279 115.969 115.700 -0.017 0.000 2.592 388 S HA 0.699 5.169 4.470 0.000 0.000 0.271 388 S C 0.568 175.152 174.600 -0.027 0.000 1.326 388 S CA -0.782 57.405 58.200 -0.022 0.000 1.024 388 S CB 1.585 64.774 63.200 -0.019 0.000 0.921 388 S HN 0.675 nan 8.310 nan 0.000 0.527 389 L N 2.380 123.578 121.223 -0.042 0.000 2.490 389 L HA 0.151 4.491 4.340 0.000 0.000 0.274 389 L C 0.177 177.034 176.870 -0.023 0.000 1.201 389 L CA -0.652 54.158 54.840 -0.050 0.000 0.869 389 L CB 0.253 42.241 42.059 -0.118 0.000 1.123 389 L HN 0.523 nan 8.230 nan 0.000 0.484 390 V N 3.759 123.672 119.914 -0.001 0.000 2.720 390 V HA -0.109 4.011 4.120 0.000 0.000 0.307 390 V C 0.843 176.947 176.094 0.017 0.000 1.071 390 V CA -0.022 62.286 62.300 0.014 0.000 1.199 390 V CB 0.422 32.267 31.823 0.036 0.000 0.900 390 V HN 0.685 nan 8.190 nan 0.000 0.494 391 K N 3.912 124.319 120.400 0.012 0.000 2.530 391 K HA -0.052 4.268 4.320 0.000 0.000 0.280 391 K C 0.845 177.462 176.600 0.028 0.000 1.004 391 K CA 0.998 57.293 56.287 0.013 0.000 1.071 391 K CB -0.057 32.449 32.500 0.009 0.000 0.876 391 K HN 0.961 nan 8.250 nan 0.000 0.487 392 S N 1.642 117.359 115.700 0.029 0.000 3.521 392 S HA -0.214 4.256 4.470 0.000 0.000 0.328 392 S C -0.357 174.289 174.600 0.077 0.000 1.165 392 S CA 1.264 59.490 58.200 0.044 0.000 0.941 392 S CB -1.286 61.936 63.200 0.037 0.000 0.951 392 S HN 0.957 nan 8.310 nan 0.000 0.539 393 D N 2.809 123.266 120.400 0.095 0.000 2.401 393 D HA 0.318 4.958 4.640 0.000 0.000 0.254 393 D C -1.314 175.145 176.300 0.264 0.000 1.192 393 D CA -0.858 53.249 54.000 0.177 0.000 0.885 393 D CB 0.701 41.629 40.800 0.215 0.000 1.147 393 D HN 0.153 nan 8.370 nan 0.000 0.478 394 P HA 0.323 nan 4.420 nan 0.000 0.281 394 P C -2.741 174.604 177.300 0.074 0.000 1.249 394 P CA -1.763 61.441 63.100 0.173 0.000 0.810 394 P CB 0.548 32.316 31.700 0.113 0.000 1.008 395 P HA 0.164 nan 4.420 nan 0.000 0.269 395 P C -0.081 177.174 177.300 -0.076 0.000 1.209 395 P CA 0.285 63.197 63.100 -0.313 0.000 0.776 395 P CB 0.268 31.889 31.700 -0.133 0.000 0.876 396 I N 1.201 121.746 120.570 -0.041 0.000 2.371 396 I HA 0.108 4.278 4.170 0.000 0.000 0.290 396 I C 0.916 177.137 176.117 0.173 0.000 1.028 396 I CA 0.034 61.413 61.300 0.132 0.000 1.345 396 I CB 0.759 38.855 38.000 0.160 0.000 1.407 396 I HN 0.258 nan 8.210 nan 0.000 0.501 397 S N 7.314 123.119 115.700 0.175 0.000 2.499 397 S HA 0.643 5.113 4.470 0.000 0.000 0.279 397 S C -0.601 174.124 174.600 0.208 0.000 1.219 397 S CA -0.563 57.735 58.200 0.164 0.000 1.062 397 S CB 0.302 63.568 63.200 0.109 0.000 0.978 397 S HN 0.401 nan 8.310 nan 0.000 0.489 398 L N 4.046 125.420 121.223 0.252 0.000 2.404 398 L HA 0.409 4.749 4.340 0.000 0.000 0.272 398 L C -0.228 176.761 176.870 0.198 0.000 0.980 398 L CA -0.714 54.268 54.840 0.237 0.000 0.836 398 L CB 1.633 43.845 42.059 0.254 0.000 1.238 398 L HN 0.678 nan 8.230 nan 0.000 0.408 399 D N 3.250 123.741 120.400 0.152 0.000 2.701 399 D HA -0.200 4.440 4.640 0.000 0.000 0.235 399 D C 1.193 177.545 176.300 0.086 0.000 1.155 399 D CA 1.635 55.702 54.000 0.112 0.000 0.649 399 D CB -0.472 40.391 40.800 0.104 0.000 1.050 399 D HN 1.077 nan 8.370 nan 0.000 0.425 400 G N -0.525 108.324 108.800 0.081 0.000 2.155 400 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 400 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 400 G C 0.151 175.059 174.900 0.014 0.000 0.983 400 G CA 0.725 45.853 45.100 0.047 0.000 0.676 400 G HN 0.450 nan 8.290 nan 0.000 0.528 401 K N -0.466 119.940 120.400 0.011 0.000 2.221 401 K HA 0.604 4.924 4.320 0.000 0.000 0.258 401 K C 0.533 177.027 176.600 -0.177 0.000 0.944 401 K CA -0.675 55.542 56.287 -0.117 0.000 0.823 401 K CB 1.677 34.074 32.500 -0.171 0.000 1.113 401 K HN 0.200 nan 8.250 nan 0.000 0.431 402 Q N 0.327 119.968 119.800 -0.265 0.000 2.189 402 Q HA 0.086 4.426 4.340 0.000 0.000 0.223 402 Q C -0.540 175.249 176.000 -0.352 0.000 0.828 402 Q CA 0.050 55.733 55.803 -0.200 0.000 0.967 402 Q CB 0.878 29.571 28.738 -0.075 0.000 1.139 402 Q HN 0.680 nan 8.270 nan 0.000 0.497 403 E N -0.843 118.950 120.200 -0.678 0.000 2.408 403 E HA 0.595 4.946 4.350 0.000 0.000 0.275 403 E C -1.272 174.720 176.600 -1.012 0.000 0.935 403 E CA -1.021 55.013 56.400 -0.609 0.000 0.775 403 E CB 1.368 30.946 29.700 -0.203 0.000 1.277 403 E HN -0.116 nan 8.360 nan 0.000 0.455 404 F N 0.676 120.682 119.950 0.094 0.000 2.539 404 F HA 0.382 4.909 4.527 0.000 0.000 0.328 404 F C -0.741 175.150 175.800 0.151 0.000 1.148 404 F CA -0.934 57.127 58.000 0.102 0.000 0.940 404 F CB 2.131 41.185 39.000 0.090 0.000 1.194 404 F HN 0.235 nan 8.300 nan 0.000 0.438 405 V N 1.992 122.034 119.914 0.213 0.000 2.427 405 V HA 0.432 4.552 4.120 0.000 0.000 0.286 405 V C 0.193 176.399 176.094 0.188 0.000 1.034 405 V CA -0.943 61.461 62.300 0.173 0.000 0.893 405 V CB 1.849 33.725 31.823 0.087 0.000 0.982 405 V HN 0.832 nan 8.190 nan 0.000 0.452 406 T N 2.291 116.972 114.554 0.212 0.000 2.901 406 T HA 0.484 4.834 4.350 0.000 0.000 0.301 406 T C 0.597 175.373 174.700 0.127 0.000 1.012 406 T CA 0.002 62.210 62.100 0.180 0.000 1.135 406 T CB 1.183 70.186 68.868 0.226 0.000 0.936 406 T HN 0.915 nan 8.240 nan 0.000 0.539 407 G N 1.060 109.919 108.800 0.097 0.000 2.557 407 G HA2 0.261 4.221 3.960 0.000 0.000 0.292 407 G HA3 0.261 4.221 3.960 0.000 0.000 0.292 407 G C 0.649 175.591 174.900 0.070 0.000 1.237 407 G CA -0.763 44.380 45.100 0.071 0.000 0.978 407 G HN 0.817 nan 8.290 nan 0.000 0.498 408 Q N -0.481 119.349 119.800 0.049 0.000 2.226 408 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 408 Q C 1.683 177.713 176.000 0.051 0.000 0.975 408 Q CA 1.431 57.260 55.803 0.043 0.000 0.866 408 Q CB 0.037 28.790 28.738 0.026 0.000 0.915 408 Q HN 0.748 nan 8.270 nan 0.000 0.440 409 D N -1.131 119.296 120.400 0.045 0.000 2.363 409 D HA -0.006 4.634 4.640 0.000 0.000 0.226 409 D C 1.161 177.488 176.300 0.045 0.000 1.020 409 D CA 0.920 54.944 54.000 0.039 0.000 0.892 409 D CB -0.007 40.808 40.800 0.026 0.000 0.900 409 D HN 0.293 nan 8.370 nan 0.000 0.531 410 G N -0.071 108.770 108.800 0.068 0.000 2.199 410 G HA2 -0.272 3.688 3.960 0.000 0.000 0.254 410 G HA3 -0.272 3.688 3.960 0.000 0.000 0.254 410 G C 0.189 175.113 174.900 0.039 0.000 0.982 410 G CA 0.143 45.284 45.100 0.069 0.000 0.632 410 G HN 0.426 nan 8.290 nan 0.000 0.529 411 K N 0.640 121.059 120.400 0.031 0.000 2.143 411 K HA 0.705 5.025 4.320 0.000 0.000 0.272 411 K C -0.082 176.535 176.600 0.029 0.000 1.001 411 K CA 0.297 56.589 56.287 0.009 0.000 0.915 411 K CB 1.945 34.444 32.500 -0.001 0.000 1.047 411 K HN 0.738 nan 8.250 nan 0.000 0.458 412 A N 2.216 125.037 122.820 0.001 0.000 2.381 412 A HA 0.464 4.784 4.320 0.000 0.000 0.299 412 A C -0.941 176.613 177.584 -0.050 0.000 1.049 412 A CA -0.741 51.312 52.037 0.027 0.000 0.715 412 A CB 1.231 20.282 19.000 0.086 0.000 1.222 412 A HN 0.368 nan 8.150 nan 0.000 0.428 413 V N 3.215 123.109 119.914 -0.034 0.000 2.370 413 V HA 0.383 4.503 4.120 0.000 0.000 0.283 413 V C -0.818 175.177 176.094 -0.165 0.000 1.023 413 V CA -0.356 61.889 62.300 -0.091 0.000 0.857 413 V CB 1.120 32.916 31.823 -0.046 0.000 0.985 413 V HN 0.689 nan 8.190 nan 0.000 0.443 414 L N 4.966 126.004 121.223 -0.308 0.000 2.297 414 L HA 0.492 4.832 4.340 0.000 0.000 0.277 414 L C 0.433 177.148 176.870 -0.260 0.000 1.040 414 L CA 0.720 55.269 54.840 -0.484 0.000 0.867 414 L CB 1.045 42.659 42.059 -0.741 0.000 1.244 414 L HN 0.621 nan 8.230 nan 0.000 0.433 415 S N 0.995 116.620 115.700 -0.125 0.000 2.638 415 S HA 0.742 5.212 4.470 0.000 0.000 0.298 415 S C 0.823 175.446 174.600 0.038 0.000 1.111 415 S CA -0.106 58.072 58.200 -0.037 0.000 1.027 415 S CB 1.681 64.878 63.200 -0.004 0.000 1.064 415 S HN 0.908 nan 8.310 nan 0.000 0.525 416 G N 1.225 110.099 108.800 0.124 0.000 2.160 416 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 416 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 416 G C -0.139 175.005 174.900 0.407 0.000 1.022 416 G CA -0.345 44.936 45.100 0.300 0.000 0.741 416 G HN 0.627 nan 8.290 nan 0.000 0.508 417 I N 1.602 122.297 120.570 0.209 0.000 2.421 417 I HA 0.116 4.286 4.170 0.000 0.000 0.291 417 I C 1.164 177.247 176.117 -0.057 0.000 1.089 417 I CA -0.441 60.884 61.300 0.042 0.000 1.354 417 I CB 0.461 38.307 38.000 -0.258 0.000 1.413 417 I HN 0.295 nan 8.210 nan 0.000 0.513 418 H N 7.463 126.340 119.070 -0.322 0.000 2.800 418 H HA 0.187 4.743 4.556 0.000 0.000 0.291 418 H C 0.294 175.494 175.328 -0.212 0.000 1.076 418 H CA -0.400 55.121 56.048 -0.878 0.000 1.452 418 H CB 1.031 30.212 29.762 -0.968 0.000 1.461 418 H HN 0.682 nan 8.280 nan 0.000 0.488 419 L N 4.282 125.283 121.223 -0.370 0.000 2.168 419 L HA 0.275 4.615 4.340 0.000 0.000 0.203 419 L C 1.292 178.039 176.870 -0.205 0.000 1.078 419 L CA 0.827 55.641 54.840 -0.044 0.000 0.780 419 L CB 0.168 42.287 42.059 0.099 0.000 0.939 419 L HN 0.799 nan 8.230 nan 0.000 0.451 420 G N -1.363 107.203 108.800 -0.391 0.000 2.321 420 G HA2 0.397 4.357 3.960 0.000 0.000 0.296 420 G HA3 0.397 4.357 3.960 0.000 0.000 0.296 420 G C -1.483 173.361 174.900 -0.093 0.000 1.287 420 G CA -0.430 44.402 45.100 -0.447 0.000 0.846 420 G HN -0.224 nan 8.290 nan 0.000 0.508 421 T N 0.133 114.501 114.554 -0.310 0.000 2.952 421 T HA 0.533 4.883 4.350 0.000 0.000 0.305 421 T C -1.362 173.327 174.700 -0.019 0.000 1.064 421 T CA -0.378 61.740 62.100 0.030 0.000 1.008 421 T CB 1.854 70.807 68.868 0.142 0.000 1.078 421 T HN 0.771 nan 8.240 nan 0.000 0.459 422 L N 4.725 126.064 121.223 0.194 0.000 2.282 422 L HA 0.701 5.041 4.340 0.000 0.000 0.288 422 L C -0.277 176.668 176.870 0.124 0.000 1.033 422 L CA 0.286 55.241 54.840 0.192 0.000 0.807 422 L CB 0.608 42.812 42.059 0.241 0.000 1.209 422 L HN 0.843 nan 8.230 nan 0.000 0.423 423 Q N 3.461 123.312 119.800 0.085 0.000 2.630 423 Q HA 0.424 4.764 4.340 0.000 0.000 0.295 423 Q C -1.682 174.345 176.000 0.044 0.000 0.944 423 Q CA -1.146 54.695 55.803 0.063 0.000 0.766 423 Q CB 1.407 30.185 28.738 0.066 0.000 1.471 423 Q HN 0.461 nan 8.270 nan 0.000 0.416 424 L N 1.889 123.131 121.223 0.031 0.000 2.360 424 L HA 0.331 4.671 4.340 0.000 0.000 0.276 424 L C -0.880 176.002 176.870 0.020 0.000 1.121 424 L CA 0.799 55.653 54.840 0.023 0.000 0.845 424 L CB 0.511 42.578 42.059 0.013 0.000 1.143 424 L HN 0.563 nan 8.230 nan 0.000 0.452 425 E N 3.243 123.455 120.200 0.019 0.000 2.256 425 E HA 0.242 4.592 4.350 0.000 0.000 0.268 425 E C -0.180 176.429 176.600 0.014 0.000 0.877 425 E CA -0.564 55.845 56.400 0.015 0.000 0.757 425 E CB 1.577 31.284 29.700 0.012 0.000 1.183 425 E HN 0.509 nan 8.360 nan 0.000 0.418 426 S N 2.458 118.165 115.700 0.012 0.000 3.348 426 S HA -0.290 4.180 4.470 0.000 0.000 0.366 426 S C 0.700 175.308 174.600 0.013 0.000 0.953 426 S CA 1.337 59.544 58.200 0.012 0.000 1.255 426 S CB -1.206 62.001 63.200 0.011 0.000 0.906 426 S HN 0.878 nan 8.310 nan 0.000 0.495 427 N N -2.146 116.563 118.700 0.014 0.000 2.909 427 N HA -0.191 4.549 4.740 0.000 0.000 0.242 427 N C -0.263 175.256 175.510 0.015 0.000 0.975 427 N CA 1.297 54.355 53.050 0.014 0.000 0.921 427 N CB -0.765 37.730 38.487 0.014 0.000 1.112 427 N HN 0.667 nan 8.380 nan 0.000 0.581 431 Y N 2.645 122.959 120.300 0.023 0.000 2.313 431 Y HA 0.588 5.138 4.550 0.000 0.000 0.332 431 Y C -0.825 175.082 175.900 0.013 0.000 1.071 431 Y CA 0.151 58.265 58.100 0.025 0.000 1.169 431 Y CB 1.661 40.135 38.460 0.023 0.000 1.192 431 Y HN 0.561 nan 8.280 nan 0.000 0.487 432 T N 6.215 120.394 114.554 -0.625 0.000 2.792 432 T HA 0.098 4.448 4.350 0.000 0.000 0.280 432 T C -1.220 173.009 174.700 -0.784 0.000 0.990 432 T CA -0.741 61.068 62.100 -0.484 0.000 0.960 432 T CB 0.684 69.396 68.868 -0.260 0.000 0.939 432 T HN 0.551 nan 8.240 nan 0.000 0.439 433 D N 2.381 122.544 120.400 -0.395 0.000 2.382 433 D HA 0.218 4.858 4.640 0.000 0.000 0.259 433 D C 1.146 177.305 176.300 -0.235 0.000 1.224 433 D CA -0.395 53.494 54.000 -0.184 0.000 0.894 433 D CB 1.066 41.895 40.800 0.047 0.000 1.127 433 D HN 0.586 nan 8.370 nan 0.000 0.487 434 A N 3.747 126.363 122.820 -0.340 0.000 2.067 434 A HA -0.137 4.183 4.320 0.000 0.000 0.219 434 A C 1.289 178.511 177.584 -0.604 0.000 1.158 434 A CA 0.534 52.245 52.037 -0.544 0.000 0.661 434 A CB -0.435 18.015 19.000 -0.917 0.000 0.801 434 A HN 0.726 nan 8.150 nan 0.000 0.452 435 W N -0.188 120.978 121.300 -0.223 0.000 3.239 435 W HA 0.585 5.245 4.660 0.000 0.000 0.368 435 W C 0.932 177.350 176.519 -0.168 0.000 1.154 435 W CA -0.306 56.918 57.345 -0.201 0.000 1.860 435 W CB -0.236 29.051 29.460 -0.289 0.000 1.094 435 W HN 0.307 nan 8.180 nan 0.000 0.643 436 A N 0.571 123.380 122.820 -0.019 0.000 2.546 436 A HA 0.422 4.742 4.320 0.000 0.000 0.243 436 A C 1.586 179.152 177.584 -0.029 0.000 1.063 436 A CA 1.140 53.163 52.037 -0.024 0.000 0.757 436 A CB -0.331 18.639 19.000 -0.050 0.000 0.991 436 A HN 1.021 nan 8.150 nan 0.000 0.503 437 G N 1.513 110.304 108.800 -0.016 0.000 2.179 437 G HA2 -0.205 3.755 3.960 0.000 0.000 0.260 437 G HA3 -0.205 3.755 3.960 0.000 0.000 0.260 437 G C 0.193 175.092 174.900 -0.001 0.000 0.977 437 G CA 0.596 45.687 45.100 -0.015 0.000 0.641 437 G HN 0.716 nan 8.290 nan 0.000 0.533 438 K N 1.223 121.637 120.400 0.023 0.000 2.484 438 K HA 0.562 4.882 4.320 0.000 0.000 0.226 438 K C 1.075 177.683 176.600 0.014 0.000 1.031 438 K CA 0.255 56.573 56.287 0.051 0.000 1.026 438 K CB 0.532 33.116 32.500 0.141 0.000 1.412 438 K HN 1.435 nan 8.250 nan 0.000 0.492 439 G N 1.693 110.487 108.800 -0.010 0.000 2.633 439 G HA2 -0.382 3.579 3.960 0.000 0.000 0.263 439 G HA3 -0.382 3.579 3.960 0.000 0.000 0.263 439 G C 0.647 175.508 174.900 -0.065 0.000 1.310 439 G CA 0.596 45.672 45.100 -0.039 0.000 0.914 439 G HN 0.477 nan 8.290 nan 0.000 0.569 440 T N -3.462 111.037 114.554 -0.090 0.000 2.958 440 T HA 0.527 4.877 4.350 0.000 0.000 0.256 440 T C 0.455 175.063 174.700 -0.152 0.000 0.983 440 T CA 1.323 63.366 62.100 -0.096 0.000 0.924 440 T CB 0.753 69.585 68.868 -0.060 0.000 1.136 440 T HN 0.740 nan 8.240 nan 0.000 0.506 441 E N 0.284 120.362 120.200 -0.204 0.000 2.449 441 E HA 0.520 4.870 4.350 0.000 0.000 0.278 441 E C -1.482 174.892 176.600 -0.376 0.000 0.992 441 E CA -0.878 55.374 56.400 -0.247 0.000 0.807 441 E CB 1.207 30.846 29.700 -0.101 0.000 1.350 441 E HN 0.183 nan 8.360 nan 0.000 0.462 442 F N 0.840 120.676 119.950 -0.191 0.000 2.380 442 F HA 0.381 4.908 4.527 0.000 0.000 0.325 442 F C 0.935 176.664 175.800 -0.117 0.000 1.136 442 F CA -0.154 57.717 58.000 -0.215 0.000 1.171 442 F CB 0.721 39.549 39.000 -0.288 0.000 1.230 442 F HN 0.473 nan 8.300 nan 0.000 0.554 443 c N 1.069 119.749 118.600 0.134 0.000 3.239 443 c HA 0.809 5.379 4.570 0.000 0.000 0.317 443 c C -1.199 172.968 174.090 0.128 0.000 1.310 443 c CA -1.552 54.832 56.329 0.092 0.000 1.371 443 c CB 0.596 43.144 42.510 0.064 0.000 1.714 443 c HN 0.740 nan 8.230 nan 0.000 0.473 444 L N 1.864 123.153 121.223 0.110 0.000 2.329 444 L HA 0.774 5.115 4.340 0.000 0.000 0.279 444 L C -0.432 176.592 176.870 0.256 0.000 1.014 444 L CA -0.612 54.335 54.840 0.179 0.000 0.814 444 L CB 1.795 43.895 42.059 0.070 0.000 1.257 444 L HN 0.655 nan 8.230 nan 0.000 0.424 445 V N 2.225 122.338 119.914 0.332 0.000 2.417 445 V HA 0.226 4.346 4.120 0.000 0.000 0.291 445 V C -0.034 176.191 176.094 0.218 0.000 1.024 445 V CA -0.625 61.820 62.300 0.242 0.000 0.861 445 V CB 1.730 33.667 31.823 0.191 0.000 0.985 445 V HN 0.724 nan 8.190 nan 0.000 0.436 446 E N 2.656 122.901 120.200 0.075 0.000 2.152 446 E HA 0.203 4.553 4.350 0.000 0.000 0.285 446 E C 0.876 177.369 176.600 -0.178 0.000 1.043 446 E CA 0.091 56.316 56.400 -0.292 0.000 0.839 446 E CB 1.161 30.668 29.700 -0.322 0.000 1.069 446 E HN 0.884 nan 8.360 nan 0.000 0.399 447 T N 1.051 115.489 114.554 -0.194 0.000 3.037 447 T HA 0.421 4.771 4.350 0.000 0.000 0.252 447 T C 0.455 175.102 174.700 -0.088 0.000 1.073 447 T CA 0.177 62.226 62.100 -0.085 0.000 1.091 447 T CB 0.546 69.396 68.868 -0.030 0.000 0.935 447 T HN 0.335 nan 8.240 nan 0.000 0.488 448 A N -0.139 122.595 122.820 -0.143 0.000 2.606 448 A HA 0.788 5.108 4.320 0.000 0.000 0.293 448 A C -0.447 177.082 177.584 -0.093 0.000 1.082 448 A CA -0.480 51.507 52.037 -0.083 0.000 0.685 448 A CB 1.649 20.617 19.000 -0.053 0.000 1.284 448 A HN 0.235 nan 8.150 nan 0.000 0.408 449 T N -0.981 113.572 114.554 -0.003 0.000 2.618 449 T HA 0.743 5.093 4.350 0.000 0.000 0.293 449 T C -0.289 174.470 174.700 0.100 0.000 1.093 449 T CA 0.392 62.543 62.100 0.085 0.000 1.061 449 T CB 1.101 70.046 68.868 0.129 0.000 1.498 449 T HN 2.068 nan 8.240 nan 0.000 0.494 450 A N 1.094 123.997 122.820 0.138 0.000 2.271 450 A HA 0.674 4.994 4.320 0.000 0.000 0.288 450 A C 0.432 178.112 177.584 0.161 0.000 1.094 450 A CA -0.198 51.833 52.037 -0.009 0.000 0.828 450 A CB 0.035 18.780 19.000 -0.424 0.000 1.091 450 A HN 1.131 nan 8.150 nan 0.000 0.493 451 S N -0.111 115.641 115.700 0.087 0.000 2.549 451 S HA 0.448 4.918 4.470 0.000 0.000 0.283 451 S C 1.141 175.799 174.600 0.097 0.000 1.320 451 S CA 0.108 58.355 58.200 0.077 0.000 1.058 451 S CB 0.662 63.876 63.200 0.023 0.000 0.882 451 S HN 2.476 nan 8.310 nan 0.000 0.498 452 G N 0.925 109.743 108.800 0.030 0.000 2.199 452 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 452 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 452 G C -0.233 174.536 174.900 -0.219 0.000 0.982 452 G CA 0.151 45.190 45.100 -0.102 0.000 0.632 452 G HN 0.724 nan 8.290 nan 0.000 0.529 453 Y N 0.903 121.240 120.300 0.061 0.000 2.453 453 Y HA 0.631 5.181 4.550 0.000 0.000 0.326 453 Y C 0.523 176.462 175.900 0.066 0.000 1.186 453 Y CA -0.988 57.170 58.100 0.097 0.000 1.200 453 Y CB 0.974 39.556 38.460 0.204 0.000 1.247 453 Y HN -0.007 nan 8.280 nan 0.000 0.482 454 E N 2.249 122.572 120.200 0.204 0.000 2.227 454 E HA 0.244 4.594 4.350 0.000 0.000 0.282 454 E C -0.685 175.982 176.600 0.111 0.000 1.015 454 E CA -0.493 55.977 56.400 0.116 0.000 0.823 454 E CB 1.298 31.045 29.700 0.078 0.000 1.081 454 E HN 0.550 nan 8.360 nan 0.000 0.396 455 L N 2.540 123.804 121.223 0.069 0.000 2.485 455 L HA -0.067 4.273 4.340 0.000 0.000 0.275 455 L C 0.214 177.104 176.870 0.033 0.000 1.207 455 L CA -0.461 54.399 54.840 0.034 0.000 0.855 455 L CB 0.032 42.097 42.059 0.010 0.000 1.114 455 L HN 0.249 nan 8.230 nan 0.000 0.485 456 L N 6.521 127.762 121.223 0.030 0.000 2.477 456 L HA 0.066 4.406 4.340 0.000 0.000 0.272 456 L C -0.924 175.964 176.870 0.030 0.000 1.157 456 L CA -0.633 54.231 54.840 0.040 0.000 0.889 456 L CB -0.145 41.954 42.059 0.066 0.000 1.158 456 L HN 0.460 nan 8.230 nan 0.000 0.473 457 P HA -0.037 nan 4.420 nan 0.000 0.227 457 P C 0.018 177.325 177.300 0.013 0.000 1.161 457 P CA 0.851 63.960 63.100 0.016 0.000 0.788 457 P CB 0.577 32.285 31.700 0.013 0.000 0.822 458 K N 0.229 120.641 120.400 0.019 0.000 2.208 458 K HA 0.502 4.822 4.320 0.000 0.000 0.247 458 K C -2.599 174.019 176.600 0.029 0.000 0.953 458 K CA -2.398 53.898 56.287 0.015 0.000 0.837 458 K CB 0.869 33.375 32.500 0.011 0.000 1.131 458 K HN -0.170 nan 8.250 nan 0.000 0.431 459 P HA -0.002 nan 4.420 nan 0.000 0.267 459 P C -0.863 176.464 177.300 0.046 0.000 1.200 459 P CA -0.329 62.797 63.100 0.045 0.000 0.772 459 P CB 0.442 32.157 31.700 0.024 0.000 0.855 460 V N 4.677 124.629 119.914 0.064 0.000 2.368 460 V HA 0.114 4.234 4.120 0.000 0.000 0.266 460 V C 0.556 176.660 176.094 0.017 0.000 1.045 460 V CA -0.641 61.679 62.300 0.034 0.000 0.899 460 V CB 0.202 32.040 31.823 0.025 0.000 1.006 460 V HN 0.378 nan 8.190 nan 0.000 0.470 461 I N 5.822 126.395 120.570 0.005 0.000 2.618 461 I HA 0.133 4.303 4.170 0.000 0.000 0.284 461 I C 0.199 176.310 176.117 -0.010 0.000 1.146 461 I CA 0.340 61.640 61.300 0.000 0.000 1.425 461 I CB 0.971 38.966 38.000 -0.008 0.000 1.383 461 I HN 0.264 nan 8.210 nan 0.000 0.562 462 V N 7.409 127.323 119.914 0.001 0.000 2.443 462 V HA 0.269 4.389 4.120 0.000 0.000 0.293 462 V C 0.244 176.349 176.094 0.018 0.000 1.021 462 V CA -1.108 61.184 62.300 -0.015 0.000 0.848 462 V CB 1.547 33.340 31.823 -0.050 0.000 0.998 462 V HN 0.585 nan 8.190 nan 0.000 0.424 463 K N 4.519 124.917 120.400 -0.004 0.000 2.338 463 K HA 0.503 4.823 4.320 0.000 0.000 0.290 463 K C -0.924 175.683 176.600 0.012 0.000 1.069 463 K CA -0.212 56.080 56.287 0.007 0.000 0.941 463 K CB 0.668 33.161 32.500 -0.011 0.000 1.023 463 K HN 0.425 nan 8.250 nan 0.000 0.477 464 L N 3.974 125.239 121.223 0.071 0.000 2.555 464 L HA 0.221 4.561 4.340 0.000 0.000 0.264 464 L C -1.279 175.664 176.870 0.122 0.000 0.972 464 L CA 0.062 54.933 54.840 0.052 0.000 0.876 464 L CB 1.192 43.220 42.059 -0.052 0.000 1.216 464 L HN 0.751 nan 8.230 nan 0.000 0.415 465 E N 4.075 124.309 120.200 0.056 0.000 2.430 465 E HA 0.916 5.266 4.350 0.000 0.000 0.279 465 E C -1.749 174.858 176.600 0.011 0.000 1.003 465 E CA -1.122 55.317 56.400 0.065 0.000 0.801 465 E CB 1.923 31.646 29.700 0.039 0.000 1.313 465 E HN 0.532 nan 8.360 nan 0.000 0.459 466 A N 0.954 123.771 122.820 -0.005 0.000 2.437 466 A HA 0.845 5.165 4.320 0.000 0.000 0.292 466 A C -1.018 176.234 177.584 -0.554 0.000 1.173 466 A CA -0.300 51.637 52.037 -0.168 0.000 0.785 466 A CB 1.289 20.255 19.000 -0.057 0.000 1.351 466 A HN 0.868 nan 8.150 nan 0.000 0.431 467 N N -1.955 116.303 118.700 -0.737 0.000 3.344 467 N HA 0.226 4.966 4.740 0.000 0.000 0.296 467 N C 0.277 175.368 175.510 -0.699 0.000 1.571 467 N CA -0.043 52.424 53.050 -0.971 0.000 0.844 467 N CB 0.289 38.540 38.487 -0.393 0.000 1.718 467 N HN 0.630 nan 8.380 nan 0.000 0.589 468 E N -0.765 119.229 120.200 -0.344 0.000 2.265 468 E HA -0.179 4.171 4.350 0.000 0.000 0.196 468 E C 0.608 177.180 176.600 -0.047 0.000 0.996 468 E CA 1.673 58.032 56.400 -0.068 0.000 0.832 468 E CB -0.227 29.497 29.700 0.040 0.000 0.756 468 E HN 0.572 nan 8.360 nan 0.000 0.491 469 S N 0.094 115.746 115.700 -0.081 0.000 2.528 469 S HA 0.012 4.483 4.470 0.000 0.000 0.219 469 S C 0.826 175.403 174.600 -0.039 0.000 0.985 469 S CA -0.142 58.032 58.200 -0.043 0.000 0.914 469 S CB -0.251 62.925 63.200 -0.040 0.000 0.776 469 S HN 0.085 nan 8.310 nan 0.000 0.526 470 T N 4.242 118.754 114.554 -0.071 0.000 2.831 470 T HA 0.175 4.525 4.350 0.000 0.000 0.291 470 T C 0.291 174.998 174.700 0.012 0.000 0.981 470 T CA 0.124 62.200 62.100 -0.040 0.000 1.174 470 T CB 0.107 68.935 68.868 -0.066 0.000 0.929 470 T HN 0.352 nan 8.240 nan 0.000 0.532 471 N N 1.624 120.335 118.700 0.019 0.000 2.184 471 N HA 0.208 4.948 4.740 0.000 0.000 0.234 471 N C -0.209 175.324 175.510 0.038 0.000 1.282 471 N CA -0.005 53.066 53.050 0.035 0.000 0.877 471 N CB 1.034 39.536 38.487 0.026 0.000 1.184 471 N HN 0.566 nan 8.380 nan 0.000 0.510 472 V N -2.316 117.620 119.914 0.035 0.000 3.181 472 V HA 0.568 4.688 4.120 0.000 0.000 0.308 472 V C -0.270 175.852 176.094 0.046 0.000 1.214 472 V CA -1.332 60.988 62.300 0.034 0.000 1.053 472 V CB 2.005 33.839 31.823 0.017 0.000 1.069 472 V HN -0.116 nan 8.190 nan 0.000 0.441 473 L N 2.160 123.409 121.223 0.043 0.000 2.462 473 L HA 0.422 4.762 4.340 0.000 0.000 0.272 473 L C 0.022 176.911 176.870 0.032 0.000 1.166 473 L CA 0.611 55.484 54.840 0.054 0.000 0.880 473 L CB 0.767 42.849 42.059 0.038 0.000 1.142 473 L HN 0.622 nan 8.230 nan 0.000 0.473 474 V N 6.104 126.041 119.914 0.037 0.000 2.455 474 V HA 0.274 4.394 4.120 0.000 0.000 0.273 474 V C 0.246 176.329 176.094 -0.019 0.000 1.045 474 V CA -0.331 61.972 62.300 0.005 0.000 0.976 474 V CB 0.520 32.346 31.823 0.006 0.000 0.993 474 V HN 0.820 nan 8.190 nan 0.000 0.475 475 E N 3.744 123.925 120.200 -0.033 0.000 2.288 475 E HA 0.662 5.012 4.350 0.000 0.000 0.268 475 E C -1.136 175.426 176.600 -0.064 0.000 0.885 475 E CA -0.960 55.408 56.400 -0.054 0.000 0.767 475 E CB 2.751 32.425 29.700 -0.045 0.000 1.220 475 E HN 0.554 nan 8.360 nan 0.000 0.427 476 Q N 1.914 121.662 119.800 -0.088 0.000 2.289 476 Q HA 0.255 4.595 4.340 0.000 0.000 0.270 476 Q C -1.738 174.201 176.000 -0.102 0.000 1.038 476 Q CA -0.650 55.101 55.803 -0.087 0.000 0.812 476 Q CB 1.754 30.437 28.738 -0.093 0.000 1.300 476 Q HN 0.361 nan 8.270 nan 0.000 0.427 477 K N 2.812 123.159 120.400 -0.087 0.000 2.183 477 K HA 0.615 4.935 4.320 0.000 0.000 0.274 477 K C -1.319 175.220 176.600 -0.102 0.000 1.009 477 K CA -0.601 55.630 56.287 -0.094 0.000 0.888 477 K CB 1.013 33.470 32.500 -0.072 0.000 1.078 477 K HN 0.499 nan 8.250 nan 0.000 0.459 478 V N 5.532 125.369 119.914 -0.129 0.000 2.376 478 V HA 0.257 4.377 4.120 0.000 0.000 0.287 478 V C -0.580 175.430 176.094 -0.140 0.000 1.015 478 V CA -0.890 61.327 62.300 -0.138 0.000 0.834 478 V CB 1.324 33.037 31.823 -0.183 0.000 1.001 478 V HN 0.740 nan 8.190 nan 0.000 0.428 479 K N 5.795 126.132 120.400 -0.105 0.000 2.227 479 K HA 0.673 4.993 4.320 0.000 0.000 0.280 479 K C -0.951 175.591 176.600 -0.097 0.000 1.041 479 K CA -0.318 55.911 56.287 -0.096 0.000 0.905 479 K CB 1.786 34.245 32.500 -0.069 0.000 1.068 479 K HN 0.524 nan 8.250 nan 0.000 0.470 480 I N 2.062 122.565 120.570 -0.113 0.000 2.447 480 I HA 0.090 4.260 4.170 0.000 0.000 0.287 480 I C -0.898 175.138 176.117 -0.136 0.000 1.023 480 I CA -0.755 60.487 61.300 -0.097 0.000 1.083 480 I CB 1.982 39.938 38.000 -0.073 0.000 1.245 480 I HN 0.517 nan 8.210 nan 0.000 0.434 481 D N 6.433 126.765 120.400 -0.113 0.000 2.460 481 D HA 0.216 4.856 4.640 0.000 0.000 0.232 481 D C -0.396 175.820 176.300 -0.142 0.000 1.079 481 D CA -0.322 53.593 54.000 -0.142 0.000 0.864 481 D CB 0.693 41.454 40.800 -0.065 0.000 1.048 481 D HN 0.303 nan 8.370 nan 0.000 0.523 482 N N 3.229 121.737 118.700 -0.320 0.000 2.492 482 N HA 0.133 4.874 4.740 0.000 0.000 0.260 482 N C -0.169 175.405 175.510 0.108 0.000 1.215 482 N CA 0.153 53.077 53.050 -0.210 0.000 0.923 482 N CB 1.041 39.185 38.487 -0.572 0.000 1.092 482 N HN 0.294 nan 8.380 nan 0.000 0.448 483 K N 1.369 121.941 120.400 0.287 0.000 2.340 483 K HA 0.463 4.783 4.320 0.000 0.000 0.244 483 K C -0.562 176.205 176.600 0.279 0.000 0.973 483 K CA -0.525 55.924 56.287 0.270 0.000 0.828 483 K CB 1.826 34.400 32.500 0.124 0.000 1.226 483 K HN 0.353 nan 8.250 nan 0.000 0.437 484 K N 0.000 120.463 120.400 0.106 0.000 2.780 484 K HA 0.000 4.320 4.320 0.000 0.000 0.191 484 K CA 0.000 56.238 56.287 -0.081 0.000 0.838 484 K CB 0.000 32.373 32.500 -0.212 0.000 1.064 484 K HN 0.000 nan 8.250 nan 0.000 0.543