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 3m0j_1_A DATA FIRST_RESID 68 DATA SEQUENCE DEPFSGAKKL RHLLENTDEL IVCPGVYDGL SARTAMELGF KSLYMTGAGT DATA SEQUENCE TASRLGQPDL AIAQLHDMRD NADMIANLDP FGPPLIADMD TGYGGPIMVA DATA SEQUENCE RTVEHYIRSG VAGAHLEDQI LTKRCGHLSG KKVVSRDEYL VRIRAAVATK DATA SEQUENCE RRLRSDFVLI ARTDALQSLG YEECIERLRA ARDEGADVGL LEGFRSKEQA DATA SEQUENCE AAAVAALAPW PLLLNSVENG HSPLITVEEA KAMGFRIMIF SFATLAPAYA DATA SEQUENCE AIRETLVRLR DHGVVGTPDG ITPVRLFEVC GLQDAMEVDN GAGGKAF 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 68 D HA 0.000 nan 4.640 nan 0.000 0.175 68 D C 0.000 176.366 176.300 0.110 0.000 2.045 68 D CA 0.000 54.023 54.000 0.039 0.000 0.868 68 D CB 0.000 40.806 40.800 0.011 0.000 0.688 69 E N 2.511 122.759 120.200 0.080 0.000 2.374 69 E HA 0.299 4.648 4.350 -0.001 0.000 0.260 69 E C -2.134 174.443 176.600 -0.039 0.000 1.101 69 E CA -1.363 55.080 56.400 0.072 0.000 0.907 69 E CB 0.280 30.008 29.700 0.047 0.000 1.014 69 E HN 0.096 nan 8.360 nan 0.000 0.427 70 P HA 0.026 nan 4.420 nan 0.000 0.272 70 P C -0.349 176.592 177.300 -0.598 0.000 1.230 70 P CA -0.172 62.356 63.100 -0.953 0.000 0.788 70 P CB 0.250 31.086 31.700 -1.441 0.000 0.949 71 F N -0.962 118.855 119.950 -0.221 0.000 3.057 71 F HA -0.190 4.337 4.527 -0.001 0.000 0.287 71 F C 0.944 176.721 175.800 -0.038 0.000 0.834 71 F CA 1.165 59.099 58.000 -0.110 0.000 1.147 71 F CB -3.227 35.715 39.000 -0.095 0.000 1.245 71 F HN 0.347 nan 8.300 nan 0.000 0.509 72 S N -1.502 114.241 115.700 0.072 0.000 2.537 72 S HA 0.521 4.991 4.470 -0.001 0.000 0.246 72 S C 1.801 176.459 174.600 0.096 0.000 1.036 72 S CA -0.014 58.240 58.200 0.092 0.000 1.041 72 S CB 0.442 63.682 63.200 0.067 0.000 0.799 72 S HN 0.548 nan 8.310 nan 0.000 0.456 73 G N 2.179 111.038 108.800 0.098 0.000 2.469 73 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.219 73 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.219 73 G C 1.556 176.516 174.900 0.100 0.000 1.150 73 G CA 0.764 45.918 45.100 0.091 0.000 0.763 73 G HN 0.783 nan 8.290 nan 0.000 0.561 74 A N 0.750 123.645 122.820 0.126 0.000 1.902 74 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 74 A C 2.319 179.974 177.584 0.118 0.000 1.181 74 A CA 2.059 54.169 52.037 0.122 0.000 0.623 74 A CB -0.384 18.732 19.000 0.194 0.000 0.818 74 A HN 0.396 nan 8.150 nan 0.000 0.443 75 K N -0.236 120.253 120.400 0.148 0.000 2.057 75 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 75 K C 2.115 178.901 176.600 0.309 0.000 1.049 75 K CA 1.655 58.070 56.287 0.214 0.000 0.931 75 K CB -0.164 32.465 32.500 0.214 0.000 0.714 75 K HN 0.433 nan 8.250 nan 0.000 0.440 76 K N 0.615 121.129 120.400 0.190 0.000 2.026 76 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 76 K C 2.102 178.791 176.600 0.149 0.000 1.048 76 K CA 1.083 57.463 56.287 0.155 0.000 0.929 76 K CB -0.197 32.357 32.500 0.090 0.000 0.713 76 K HN 0.013 nan 8.250 nan 0.000 0.439 77 L N 1.449 122.734 121.223 0.103 0.000 2.056 77 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 77 L C 2.338 179.240 176.870 0.053 0.000 1.078 77 L CA 1.633 56.513 54.840 0.065 0.000 0.749 77 L CB -0.459 41.616 42.059 0.027 0.000 0.901 77 L HN -0.024 nan 8.230 nan 0.000 0.433 78 R N -1.139 119.387 120.500 0.044 0.000 2.091 78 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 78 R C 2.404 178.670 176.300 -0.056 0.000 1.136 78 R CA 1.899 57.989 56.100 -0.016 0.000 0.959 78 R CB -0.689 29.590 30.300 -0.035 0.000 0.856 78 R HN 0.564 nan 8.270 nan 0.000 0.437 79 H N 0.094 119.183 119.070 0.031 0.000 2.353 79 H HA -0.086 4.470 4.556 -0.001 0.000 0.300 79 H C 2.081 177.425 175.328 0.027 0.000 1.090 79 H CA 1.898 57.963 56.048 0.030 0.000 1.327 79 H CB -0.138 29.643 29.762 0.031 0.000 1.383 79 H HN 0.230 nan 8.280 nan 0.000 0.508 80 L N 0.030 121.337 121.223 0.139 0.000 2.042 80 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 80 L C 2.644 179.545 176.870 0.052 0.000 1.076 80 L CA 0.699 55.592 54.840 0.088 0.000 0.749 80 L CB -0.326 41.779 42.059 0.077 0.000 0.893 80 L HN 0.148 nan 8.230 nan 0.000 0.432 81 L N -0.275 120.966 121.223 0.030 0.000 2.023 81 L HA -0.162 4.178 4.340 -0.001 0.000 0.205 81 L C 2.363 179.234 176.870 0.002 0.000 1.073 81 L CA 1.813 56.656 54.840 0.006 0.000 0.745 81 L CB -0.350 41.700 42.059 -0.015 0.000 0.900 81 L HN 0.181 nan 8.230 nan 0.000 0.435 82 E N -1.132 119.062 120.200 -0.010 0.000 2.318 82 E HA -0.020 4.329 4.350 -0.001 0.000 0.193 82 E C 0.682 177.284 176.600 0.004 0.000 0.998 82 E CA 0.523 56.914 56.400 -0.015 0.000 0.859 82 E CB 0.109 29.779 29.700 -0.050 0.000 0.812 82 E HN 0.481 nan 8.360 nan 0.000 0.492 83 N N 0.473 119.188 118.700 0.024 0.000 2.177 83 N HA 0.019 4.758 4.740 -0.001 0.000 0.218 83 N C -0.124 175.417 175.510 0.053 0.000 1.182 83 N CA 0.377 53.458 53.050 0.051 0.000 0.882 83 N CB 1.343 39.891 38.487 0.101 0.000 1.052 83 N HN 0.114 nan 8.380 nan 0.000 0.519 84 T N -3.477 111.103 114.554 0.044 0.000 2.841 84 T HA 0.382 4.732 4.350 -0.001 0.000 0.296 84 T C -0.634 174.085 174.700 0.032 0.000 1.166 84 T CA -0.629 61.495 62.100 0.040 0.000 1.007 84 T CB 2.335 71.231 68.868 0.046 0.000 1.253 84 T HN -0.252 nan 8.240 nan 0.000 0.511 85 D N 0.211 120.629 120.400 0.030 0.000 2.431 85 D HA 0.178 4.818 4.640 -0.001 0.000 0.213 85 D C 0.094 176.414 176.300 0.034 0.000 1.130 85 D CA -0.075 53.942 54.000 0.027 0.000 0.834 85 D CB 0.682 41.495 40.800 0.023 0.000 0.985 85 D HN 0.616 nan 8.370 nan 0.000 0.504 86 E N 0.825 121.048 120.200 0.039 0.000 2.404 86 E HA 0.124 4.473 4.350 -0.001 0.000 0.261 86 E C -0.074 176.560 176.600 0.057 0.000 1.074 86 E CA -0.367 56.061 56.400 0.047 0.000 0.917 86 E CB 1.295 31.023 29.700 0.048 0.000 0.965 86 E HN -0.028 nan 8.360 nan 0.000 0.433 87 L N 3.308 124.573 121.223 0.070 0.000 2.265 87 L HA 0.285 4.624 4.340 -0.001 0.000 0.288 87 L C -0.872 176.056 176.870 0.095 0.000 1.058 87 L CA 0.131 55.024 54.840 0.089 0.000 0.809 87 L CB 0.490 42.614 42.059 0.108 0.000 1.179 87 L HN 0.388 nan 8.230 nan 0.000 0.429 88 I N 6.307 126.932 120.570 0.092 0.000 2.322 88 I HA 0.202 4.372 4.170 -0.001 0.000 0.292 88 I C -0.376 175.823 176.117 0.138 0.000 1.060 88 I CA -0.480 60.881 61.300 0.102 0.000 1.309 88 I CB 1.000 39.047 38.000 0.078 0.000 1.415 88 I HN 0.299 nan 8.210 nan 0.000 0.492 89 V N 6.493 126.519 119.914 0.188 0.000 2.385 89 V HA 0.177 4.297 4.120 -0.001 0.000 0.269 89 V C -0.169 176.088 176.094 0.272 0.000 1.043 89 V CA -0.325 62.139 62.300 0.273 0.000 0.906 89 V CB 0.989 32.994 31.823 0.303 0.000 0.995 89 V HN 0.809 nan 8.190 nan 0.000 0.467 90 C N 8.184 127.636 119.300 0.253 0.000 2.321 90 C HA 0.438 4.898 4.460 -0.001 0.000 0.323 90 C C -2.182 172.912 174.990 0.174 0.000 1.191 90 C CA -1.567 57.556 59.018 0.176 0.000 1.455 90 C CB 0.848 28.692 27.740 0.172 0.000 2.083 90 C HN 0.623 nan 8.230 nan 0.000 0.442 91 P HA 0.186 nan 4.420 nan 0.000 0.271 91 P C 0.164 177.495 177.300 0.052 0.000 1.216 91 P CA 0.721 63.727 63.100 -0.156 0.000 0.776 91 P CB 0.805 32.100 31.700 -0.674 0.000 0.881 92 G N 2.459 111.369 108.800 0.184 0.000 2.351 92 G HA2 0.462 4.422 3.960 -0.001 0.000 0.287 92 G HA3 0.462 4.422 3.960 -0.001 0.000 0.287 92 G C 0.065 175.005 174.900 0.068 0.000 1.159 92 G CA -0.374 44.868 45.100 0.236 0.000 0.929 92 G HN 0.475 nan 8.290 nan 0.000 0.435 93 V N 1.458 121.358 119.914 -0.023 0.000 3.019 93 V HA 0.803 4.923 4.120 -0.001 0.000 0.317 93 V C 0.158 176.229 176.094 -0.038 0.000 1.094 93 V CA -0.989 61.275 62.300 -0.060 0.000 1.000 93 V CB 1.661 33.403 31.823 -0.134 0.000 1.060 93 V HN 0.915 nan 8.190 nan 0.000 0.443 94 Y N -0.321 119.906 120.300 -0.121 0.000 2.729 94 Y HA 0.606 5.156 4.550 -0.001 0.000 0.266 94 Y C -0.231 175.616 175.900 -0.089 0.000 1.064 94 Y CA -0.155 57.869 58.100 -0.126 0.000 1.251 94 Y CB 0.148 38.534 38.460 -0.124 0.000 1.379 94 Y HN 0.809 nan 8.280 nan 0.000 0.569 95 D N -0.619 119.509 120.400 -0.453 0.000 2.838 95 D HA 0.248 4.887 4.640 -0.001 0.000 0.334 95 D C 1.050 177.189 176.300 -0.267 0.000 1.315 95 D CA -0.164 53.656 54.000 -0.301 0.000 0.917 95 D CB 0.809 41.435 40.800 -0.290 0.000 1.435 95 D HN 0.045 nan 8.370 nan 0.000 0.517 96 G N -0.301 108.398 108.800 -0.167 0.000 2.408 96 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.217 96 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.217 96 G C 1.353 176.177 174.900 -0.126 0.000 1.150 96 G CA 1.165 46.196 45.100 -0.116 0.000 0.776 96 G HN 0.331 nan 8.290 nan 0.000 0.542 97 L N 1.809 122.940 121.223 -0.153 0.000 2.044 97 L HA -0.009 4.331 4.340 -0.001 0.000 0.205 97 L C 3.161 179.933 176.870 -0.163 0.000 1.075 97 L CA 2.506 57.272 54.840 -0.125 0.000 0.747 97 L CB -0.667 41.332 42.059 -0.099 0.000 0.903 97 L HN 0.322 nan 8.230 nan 0.000 0.435 98 S N -0.295 115.222 115.700 -0.305 0.000 2.368 98 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 98 S C 2.134 176.626 174.600 -0.180 0.000 1.030 98 S CA 0.954 58.985 58.200 -0.281 0.000 0.999 98 S CB -1.178 61.711 63.200 -0.518 0.000 0.844 98 S HN 0.505 nan 8.310 nan 0.000 0.459 99 A N 2.545 125.254 122.820 -0.186 0.000 1.902 99 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 99 A C 2.377 179.926 177.584 -0.058 0.000 1.181 99 A CA 1.137 53.107 52.037 -0.111 0.000 0.623 99 A CB -0.530 18.405 19.000 -0.107 0.000 0.818 99 A HN 0.378 nan 8.150 nan 0.000 0.443 100 R N -0.405 120.061 120.500 -0.057 0.000 2.096 100 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 100 R C 2.150 178.449 176.300 -0.002 0.000 1.127 100 R CA 1.792 57.880 56.100 -0.021 0.000 0.968 100 R CB -1.374 28.914 30.300 -0.019 0.000 0.861 100 R HN 0.599 nan 8.270 nan 0.000 0.440 101 T N 1.116 115.662 114.554 -0.015 0.000 2.737 101 T HA -0.063 4.287 4.350 -0.001 0.000 0.265 101 T C 1.958 176.695 174.700 0.063 0.000 1.038 101 T CA 1.410 63.517 62.100 0.013 0.000 1.144 101 T CB -0.249 68.617 68.868 -0.003 0.000 0.866 101 T HN 0.329 nan 8.240 nan 0.000 0.434 102 A N 1.886 124.731 122.820 0.043 0.000 1.908 102 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 102 A C 2.376 180.101 177.584 0.234 0.000 1.181 102 A CA 1.548 53.660 52.037 0.124 0.000 0.627 102 A CB -0.701 18.256 19.000 -0.071 0.000 0.818 102 A HN 0.416 nan 8.150 nan 0.000 0.445 103 M N -1.166 118.502 119.600 0.114 0.000 2.132 103 M HA -0.153 4.326 4.480 -0.001 0.000 0.263 103 M C 2.213 178.561 176.300 0.080 0.000 1.065 103 M CA 1.797 57.156 55.300 0.098 0.000 1.122 103 M CB -0.681 31.951 32.600 0.053 0.000 1.365 103 M HN 0.679 nan 8.290 nan 0.000 0.411 104 E N 1.127 121.365 120.200 0.065 0.000 2.118 104 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 104 E C 1.688 178.310 176.600 0.037 0.000 0.992 104 E CA 1.024 57.448 56.400 0.040 0.000 0.804 104 E CB -0.005 29.714 29.700 0.032 0.000 0.741 104 E HN 0.516 nan 8.360 nan 0.000 0.458 105 L N -0.675 120.594 121.223 0.076 0.000 2.591 105 L HA 0.201 4.540 4.340 -0.001 0.000 0.228 105 L C 1.323 178.131 176.870 -0.103 0.000 1.133 105 L CA 0.393 55.242 54.840 0.015 0.000 0.880 105 L CB 0.340 42.461 42.059 0.103 0.000 1.033 105 L HN 0.381 nan 8.230 nan 0.000 0.450 106 G N -0.195 108.591 108.800 -0.024 0.000 2.137 106 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.237 106 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.237 106 G C 0.116 174.951 174.900 -0.108 0.000 1.002 106 G CA -0.523 44.535 45.100 -0.069 0.000 0.702 106 G HN 0.139 nan 8.290 nan 0.000 0.515 107 F N 0.444 120.396 119.950 0.002 0.000 2.563 107 F HA 0.306 4.832 4.527 -0.000 0.000 0.363 107 F C 1.874 177.686 175.800 0.021 0.000 1.123 107 F CA 0.711 58.718 58.000 0.011 0.000 1.307 107 F CB 0.675 39.684 39.000 0.014 0.000 1.115 107 F HN -0.016 nan 8.300 nan 0.000 0.592 108 K N 0.440 120.958 120.400 0.197 0.000 2.426 108 K HA 0.111 4.430 4.320 -0.001 0.000 0.193 108 K C 0.141 176.820 176.600 0.132 0.000 1.028 108 K CA 0.352 56.714 56.287 0.124 0.000 1.047 108 K CB 0.333 32.887 32.500 0.089 0.000 0.821 108 K HN 0.483 nan 8.250 nan 0.000 0.513 109 S N 0.019 115.821 115.700 0.170 0.000 2.552 109 S HA 0.483 4.952 4.470 -0.001 0.000 0.272 109 S C -2.096 172.582 174.600 0.131 0.000 1.150 109 S CA -0.850 57.429 58.200 0.131 0.000 0.849 109 S CB 0.847 64.118 63.200 0.118 0.000 1.113 109 S HN -0.039 nan 8.310 nan 0.000 0.458 110 L N 3.111 124.393 121.223 0.098 0.000 2.323 110 L HA 0.702 5.041 4.340 -0.001 0.000 0.265 110 L C -1.026 175.928 176.870 0.139 0.000 1.012 110 L CA -0.541 54.343 54.840 0.074 0.000 0.820 110 L CB 1.669 43.742 42.059 0.023 0.000 1.334 110 L HN 0.769 nan 8.230 nan 0.000 0.427 111 Y N 2.048 122.347 120.300 -0.002 0.000 2.391 111 Y HA 0.601 5.150 4.550 -0.002 0.000 0.341 111 Y C -0.702 175.202 175.900 0.007 0.000 0.965 111 Y CA -1.166 56.946 58.100 0.020 0.000 1.067 111 Y CB 1.687 40.176 38.460 0.048 0.000 1.199 111 Y HN 0.594 nan 8.280 nan 0.000 0.450 112 M N 6.841 126.009 119.600 -0.721 0.000 2.063 112 M HA 0.219 4.699 4.480 -0.001 0.000 0.348 112 M C -0.368 175.300 176.300 -1.052 0.000 1.180 112 M CA -0.327 54.573 55.300 -0.666 0.000 1.059 112 M CB 0.574 32.966 32.600 -0.348 0.000 1.544 112 M HN 0.896 nan 8.290 nan 0.000 0.447 113 T N 3.170 117.267 114.554 -0.760 0.000 2.851 113 T HA 0.301 4.651 4.350 -0.001 0.000 0.298 113 T C 1.240 175.831 174.700 -0.181 0.000 0.977 113 T CA 0.294 62.151 62.100 -0.405 0.000 1.126 113 T CB 0.989 69.731 68.868 -0.210 0.000 0.916 113 T HN 0.881 nan 8.240 nan 0.000 0.529 114 G N 3.315 112.096 108.800 -0.032 0.000 2.402 114 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.216 114 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.216 114 G C 1.787 176.688 174.900 0.002 0.000 1.162 114 G CA 0.724 45.841 45.100 0.029 0.000 0.777 114 G HN 0.970 nan 8.290 nan 0.000 0.539 115 A N 0.893 123.701 122.820 -0.020 0.000 1.908 115 A HA 0.132 4.452 4.320 -0.001 0.000 0.218 115 A C 2.678 180.166 177.584 -0.160 0.000 1.181 115 A CA 2.170 54.173 52.037 -0.057 0.000 0.627 115 A CB -1.020 17.955 19.000 -0.041 0.000 0.818 115 A HN 0.511 nan 8.150 nan 0.000 0.445 116 G N -1.496 107.144 108.800 -0.268 0.000 2.403 116 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.216 116 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.216 116 G C 1.548 176.380 174.900 -0.113 0.000 1.154 116 G CA 1.525 46.450 45.100 -0.291 0.000 0.784 116 G HN 0.421 nan 8.290 nan 0.000 0.538 117 T N 1.133 115.661 114.554 -0.044 0.000 2.746 117 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 117 T C 2.662 177.362 174.700 -0.000 0.000 1.039 117 T CA 1.838 63.941 62.100 0.005 0.000 1.142 117 T CB -0.463 68.396 68.868 -0.016 0.000 0.866 117 T HN 0.302 nan 8.240 nan 0.000 0.444 118 T N 1.950 116.496 114.554 -0.013 0.000 2.777 118 T HA 0.015 4.365 4.350 -0.001 0.000 0.266 118 T C 2.422 177.113 174.700 -0.014 0.000 1.040 118 T CA 1.096 63.195 62.100 -0.001 0.000 1.141 118 T CB -0.546 68.330 68.868 0.013 0.000 0.868 118 T HN 0.422 nan 8.240 nan 0.000 0.444 119 A N 0.923 123.713 122.820 -0.050 0.000 1.902 119 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 119 A C 2.561 180.118 177.584 -0.045 0.000 1.181 119 A CA 2.165 54.162 52.037 -0.066 0.000 0.623 119 A CB -0.900 18.021 19.000 -0.132 0.000 0.818 119 A HN 0.448 nan 8.150 nan 0.000 0.443 120 S N -1.260 114.422 115.700 -0.031 0.000 2.387 120 S HA -0.022 4.448 4.470 -0.001 0.000 0.221 120 S C 2.171 176.812 174.600 0.068 0.000 1.041 120 S CA 0.787 59.023 58.200 0.059 0.000 0.959 120 S CB -0.253 63.098 63.200 0.252 0.000 0.843 120 S HN 0.568 nan 8.310 nan 0.000 0.488 121 R N 0.016 120.549 120.500 0.055 0.000 2.148 121 R HA 0.206 4.546 4.340 -0.001 0.000 0.223 121 R C 1.468 177.786 176.300 0.030 0.000 1.088 121 R CA 1.040 57.164 56.100 0.041 0.000 0.985 121 R CB -0.057 30.261 30.300 0.030 0.000 0.880 121 R HN 0.411 nan 8.270 nan 0.000 0.451 122 L N -2.069 119.167 121.223 0.022 0.000 2.878 122 L HA 0.318 4.657 4.340 -0.001 0.000 0.253 122 L C 0.878 177.757 176.870 0.014 0.000 1.135 122 L CA 0.158 55.008 54.840 0.017 0.000 0.943 122 L CB 0.903 42.971 42.059 0.014 0.000 1.307 122 L HN 0.293 nan 8.230 nan 0.000 0.545 123 G N 1.026 109.833 108.800 0.011 0.000 2.198 123 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.260 123 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.260 123 G C 0.052 174.954 174.900 0.004 0.000 1.025 123 G CA 0.204 45.309 45.100 0.008 0.000 0.769 123 G HN 0.327 nan 8.290 nan 0.000 0.507 124 Q N -0.831 118.970 119.800 0.002 0.000 2.458 124 Q HA 0.592 4.931 4.340 -0.001 0.000 0.282 124 Q C -2.571 173.432 176.000 0.005 0.000 1.106 124 Q CA -1.761 54.045 55.803 0.005 0.000 0.814 124 Q CB 2.227 30.972 28.738 0.011 0.000 1.425 124 Q HN 0.229 nan 8.270 nan 0.000 0.437 125 P HA 0.083 nan 4.420 nan 0.000 0.276 125 P C -0.507 176.815 177.300 0.036 0.000 1.252 125 P CA -0.348 62.764 63.100 0.021 0.000 0.802 125 P CB 0.464 32.176 31.700 0.019 0.000 1.035 126 D N 0.863 121.296 120.400 0.055 0.000 2.600 126 D HA 0.108 4.747 4.640 -0.001 0.000 0.226 126 D C -0.336 176.005 176.300 0.068 0.000 1.119 126 D CA 0.321 54.364 54.000 0.072 0.000 1.051 126 D CB -1.181 39.682 40.800 0.105 0.000 1.106 126 D HN 0.204 nan 8.370 nan 0.000 0.491 127 L N 1.676 122.933 121.223 0.057 0.000 3.083 127 L HA 0.399 4.738 4.340 -0.001 0.000 0.286 127 L C 0.772 177.675 176.870 0.055 0.000 1.307 127 L CA -0.683 54.186 54.840 0.049 0.000 0.897 127 L CB 0.250 42.330 42.059 0.035 0.000 1.306 127 L HN 0.322 nan 8.230 nan 0.000 0.569 128 A N -0.069 122.796 122.820 0.075 0.000 2.869 128 A HA -0.224 4.095 4.320 -0.001 0.000 0.280 128 A C 1.035 178.667 177.584 0.080 0.000 1.458 128 A CA 1.307 53.400 52.037 0.093 0.000 0.776 128 A CB -2.027 17.019 19.000 0.077 0.000 1.028 128 A HN 0.588 nan 8.150 nan 0.000 0.547 129 I N -0.764 119.846 120.570 0.066 0.000 2.810 129 I HA 0.163 4.333 4.170 -0.001 0.000 0.262 129 I C 1.631 177.769 176.117 0.036 0.000 1.131 129 I CA 0.769 62.096 61.300 0.044 0.000 1.453 129 I CB -0.028 37.991 38.000 0.032 0.000 1.161 129 I HN 0.665 nan 8.210 nan 0.000 0.444 130 A N 1.524 124.369 122.820 0.043 0.000 2.440 130 A HA 0.343 4.663 4.320 -0.001 0.000 0.251 130 A C -0.066 177.509 177.584 -0.015 0.000 1.089 130 A CA 0.125 52.170 52.037 0.014 0.000 0.779 130 A CB 0.277 19.291 19.000 0.023 0.000 1.022 130 A HN 0.343 nan 8.150 nan 0.000 0.492 131 Q N 0.560 120.282 119.800 -0.131 0.000 3.105 131 Q HA 0.367 4.707 4.340 -0.001 0.000 0.280 131 Q C 0.854 176.453 176.000 -0.669 0.000 1.042 131 Q CA -1.066 54.543 55.803 -0.323 0.000 0.857 131 Q CB 0.439 29.102 28.738 -0.124 0.000 1.468 131 Q HN 0.607 nan 8.270 nan 0.000 0.494 132 L N 0.851 121.616 121.223 -0.763 0.000 2.012 132 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 132 L C 2.253 178.973 176.870 -0.249 0.000 1.073 132 L CA 2.134 56.594 54.840 -0.633 0.000 0.748 132 L CB -0.805 41.064 42.059 -0.317 0.000 0.891 132 L HN 0.699 nan 8.230 nan 0.000 0.431 133 H N -0.149 118.798 119.070 -0.205 0.000 2.319 133 H HA -0.169 4.386 4.556 -0.002 0.000 0.299 133 H C 1.701 176.978 175.328 -0.085 0.000 1.092 133 H CA 2.179 58.164 56.048 -0.105 0.000 1.302 133 H CB 0.016 29.732 29.762 -0.076 0.000 1.373 133 H HN 0.512 nan 8.280 nan 0.000 0.497 134 D N 0.170 120.575 120.400 0.008 0.000 2.117 134 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 134 D C 2.353 178.607 176.300 -0.076 0.000 0.987 134 D CA 0.823 54.814 54.000 -0.016 0.000 0.829 134 D CB 0.048 40.844 40.800 -0.006 0.000 0.961 134 D HN 0.365 nan 8.370 nan 0.000 0.460 135 M N 0.543 120.084 119.600 -0.099 0.000 2.099 135 M HA -0.072 4.407 4.480 -0.001 0.000 0.262 135 M C 2.246 178.516 176.300 -0.050 0.000 1.067 135 M CA 0.889 56.166 55.300 -0.039 0.000 1.124 135 M CB -0.864 31.751 32.600 0.024 0.000 1.353 135 M HN -0.032 nan 8.290 nan 0.000 0.410 136 R N 0.536 121.027 120.500 -0.016 0.000 2.075 136 R HA -0.163 4.176 4.340 -0.001 0.000 0.232 136 R C 1.464 177.667 176.300 -0.162 0.000 1.126 136 R CA 1.652 57.723 56.100 -0.048 0.000 0.963 136 R CB -0.215 30.125 30.300 0.067 0.000 0.858 136 R HN 0.261 nan 8.270 nan 0.000 0.435 137 D N 0.329 120.607 120.400 -0.204 0.000 2.123 137 D HA -0.159 4.480 4.640 -0.001 0.000 0.196 137 D C 1.609 177.827 176.300 -0.138 0.000 0.992 137 D CA 1.193 55.077 54.000 -0.195 0.000 0.833 137 D CB -0.443 40.225 40.800 -0.219 0.000 0.954 137 D HN 0.204 nan 8.370 nan 0.000 0.455 138 N N 0.013 118.639 118.700 -0.123 0.000 2.142 138 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 138 N C 1.521 176.944 175.510 -0.144 0.000 1.023 138 N CA 1.462 54.447 53.050 -0.108 0.000 0.852 138 N CB -0.212 38.225 38.487 -0.084 0.000 0.998 138 N HN 0.098 nan 8.380 nan 0.000 0.424 139 A N -0.019 122.677 122.820 -0.207 0.000 1.898 139 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 139 A C 2.011 179.472 177.584 -0.205 0.000 1.181 139 A CA 1.909 53.786 52.037 -0.266 0.000 0.620 139 A CB -0.949 17.744 19.000 -0.511 0.000 0.819 139 A HN 0.486 nan 8.150 nan 0.000 0.442 140 D N -1.070 119.217 120.400 -0.188 0.000 2.104 140 D HA -0.215 4.424 4.640 -0.001 0.000 0.194 140 D C 1.933 178.175 176.300 -0.097 0.000 0.994 140 D CA 1.796 55.716 54.000 -0.134 0.000 0.830 140 D CB -0.144 40.580 40.800 -0.127 0.000 0.959 140 D HN 0.308 nan 8.370 nan 0.000 0.452 141 M N 0.255 119.798 119.600 -0.094 0.000 2.067 141 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 141 M C 2.104 178.367 176.300 -0.061 0.000 1.069 141 M CA 1.452 56.711 55.300 -0.068 0.000 1.117 141 M CB -0.533 32.028 32.600 -0.066 0.000 1.334 141 M HN 0.209 nan 8.290 nan 0.000 0.407 142 I N 0.522 121.044 120.570 -0.080 0.000 2.202 142 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 142 I C 2.551 178.639 176.117 -0.049 0.000 1.091 142 I CA 1.227 62.483 61.300 -0.074 0.000 1.368 142 I CB -0.659 37.281 38.000 -0.101 0.000 1.058 142 I HN 0.341 nan 8.210 nan 0.000 0.410 143 A N 0.456 123.246 122.820 -0.051 0.000 2.019 143 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 143 A C 1.732 179.328 177.584 0.020 0.000 1.164 143 A CA 1.519 53.546 52.037 -0.016 0.000 0.644 143 A CB -0.421 18.567 19.000 -0.019 0.000 0.805 143 A HN 0.473 nan 8.150 nan 0.000 0.449 144 N N -0.537 118.175 118.700 0.021 0.000 2.204 144 N HA 0.207 4.947 4.740 -0.001 0.000 0.219 144 N C 1.077 176.610 175.510 0.039 0.000 1.151 144 N CA -0.029 53.060 53.050 0.066 0.000 0.867 144 N CB 0.346 38.889 38.487 0.092 0.000 1.043 144 N HN 0.410 nan 8.380 nan 0.000 0.516 145 L N 0.109 121.339 121.223 0.012 0.000 2.079 145 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 145 L C 0.477 177.357 176.870 0.016 0.000 1.081 145 L CA 1.329 56.174 54.840 0.008 0.000 0.752 145 L CB -0.125 41.932 42.059 -0.004 0.000 0.896 145 L HN 0.035 nan 8.230 nan 0.000 0.433 146 D N -1.389 119.020 120.400 0.014 0.000 2.469 146 D HA 0.207 4.846 4.640 -0.001 0.000 0.251 146 D C -1.972 174.293 176.300 -0.058 0.000 1.173 146 D CA -2.251 51.759 54.000 0.017 0.000 0.882 146 D CB 1.728 42.558 40.800 0.050 0.000 1.129 146 D HN -0.233 nan 8.370 nan 0.000 0.549 147 P HA -0.002 nan 4.420 nan 0.000 0.223 147 P C 0.353 177.200 177.300 -0.754 0.000 1.144 147 P CA 0.866 63.599 63.100 -0.612 0.000 0.783 147 P CB 0.024 31.069 31.700 -1.092 0.000 0.771 148 F N -2.072 117.789 119.950 -0.147 0.000 2.654 148 F HA 0.377 4.904 4.527 -0.001 0.000 0.303 148 F C 1.716 177.482 175.800 -0.056 0.000 1.099 148 F CA -0.499 57.434 58.000 -0.112 0.000 1.270 148 F CB -0.288 38.649 39.000 -0.105 0.000 1.024 148 F HN -0.187 nan 8.300 nan 0.000 0.548 149 G N 0.856 109.702 108.800 0.076 0.000 2.510 149 G HA2 0.396 4.355 3.960 -0.001 0.000 0.280 149 G HA3 0.396 4.355 3.960 -0.001 0.000 0.280 149 G C -2.420 172.514 174.900 0.057 0.000 1.386 149 G CA -1.268 43.873 45.100 0.069 0.000 1.047 149 G HN -0.161 nan 8.290 nan 0.000 0.527 150 P HA 0.237 nan 4.420 nan 0.000 0.271 150 P C -2.589 174.747 177.300 0.060 0.000 1.218 150 P CA -0.986 62.154 63.100 0.067 0.000 0.780 150 P CB 0.514 32.265 31.700 0.085 0.000 0.901 151 P HA 0.135 nan 4.420 nan 0.000 0.269 151 P C -0.565 176.768 177.300 0.055 0.000 1.209 151 P CA -0.019 63.117 63.100 0.060 0.000 0.776 151 P CB 0.273 32.010 31.700 0.062 0.000 0.876 152 L N 3.679 124.928 121.223 0.042 0.000 2.313 152 L HA 0.461 4.800 4.340 -0.001 0.000 0.283 152 L C -0.695 176.198 176.870 0.037 0.000 1.013 152 L CA -0.456 54.402 54.840 0.030 0.000 0.816 152 L CB 0.568 42.621 42.059 -0.010 0.000 1.236 152 L HN 0.227 nan 8.230 nan 0.000 0.419 153 I N 5.174 125.795 120.570 0.085 0.000 2.331 153 I HA 0.596 4.765 4.170 -0.001 0.000 0.292 153 I C 0.061 176.267 176.117 0.148 0.000 0.998 153 I CA -0.338 61.038 61.300 0.126 0.000 1.267 153 I CB 1.504 39.627 38.000 0.205 0.000 1.386 153 I HN 0.798 nan 8.210 nan 0.000 0.476 154 A N 5.121 128.004 122.820 0.106 0.000 2.342 154 A HA 0.378 4.698 4.320 -0.001 0.000 0.323 154 A C -0.599 177.021 177.584 0.060 0.000 1.125 154 A CA -0.669 51.377 52.037 0.016 0.000 0.785 154 A CB 1.062 20.000 19.000 -0.103 0.000 1.221 154 A HN 0.664 nan 8.150 nan 0.000 0.463 155 D N 2.027 122.358 120.400 -0.115 0.000 2.525 155 D HA 0.121 4.760 4.640 -0.001 0.000 0.235 155 D C 0.822 177.128 176.300 0.011 0.000 1.137 155 D CA 0.635 54.420 54.000 -0.358 0.000 0.868 155 D CB 0.394 41.157 40.800 -0.062 0.000 1.180 155 D HN 0.535 nan 8.370 nan 0.000 0.465 156 M N 0.221 119.782 119.600 -0.065 0.000 2.414 156 M HA 0.237 4.717 4.480 -0.001 0.000 0.357 156 M C 0.209 176.372 176.300 -0.227 0.000 1.059 156 M CA -0.677 54.628 55.300 0.007 0.000 0.959 156 M CB 0.683 33.174 32.600 -0.182 0.000 1.522 156 M HN 0.100 nan 8.290 nan 0.000 0.551 157 D N 1.849 122.193 120.400 -0.093 0.000 3.608 157 D HA -0.254 4.385 4.640 -0.001 0.000 0.152 157 D C 0.785 176.971 176.300 -0.192 0.000 0.971 157 D CA 3.045 56.978 54.000 -0.112 0.000 1.072 157 D CB -0.885 39.823 40.800 -0.153 0.000 0.507 157 D HN 0.580 nan 8.370 nan 0.000 0.520 158 T N -1.792 112.565 114.554 -0.328 0.000 3.107 158 T HA 0.425 4.775 4.350 -0.001 0.000 0.249 158 T C 1.467 175.988 174.700 -0.299 0.000 1.096 158 T CA 1.262 63.232 62.100 -0.217 0.000 1.012 158 T CB 0.666 69.445 68.868 -0.147 0.000 0.977 158 T HN 1.118 nan 8.240 nan 0.000 0.527 159 G N 1.271 109.708 108.800 -0.604 0.000 2.175 159 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.244 159 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.244 159 G C 0.445 175.145 174.900 -0.333 0.000 0.982 159 G CA -0.007 44.820 45.100 -0.454 0.000 0.641 159 G HN 0.632 nan 8.290 nan 0.000 0.527 160 Y N -1.929 118.356 120.300 -0.025 0.000 4.569 160 Y HA 0.011 4.561 4.550 0.000 0.000 0.237 160 Y C 1.584 177.471 175.900 -0.021 0.000 1.090 160 Y CA 1.715 59.802 58.100 -0.021 0.000 2.052 160 Y CB -1.629 36.812 38.460 -0.033 0.000 1.621 160 Y HN 1.958 nan 8.280 nan 0.000 0.682 161 G N -1.766 107.054 108.800 0.034 0.000 2.367 161 G HA2 0.511 4.470 3.960 -0.001 0.000 0.272 161 G HA3 0.511 4.470 3.960 -0.001 0.000 0.272 161 G C 0.183 175.083 174.900 0.001 0.000 1.271 161 G CA -0.104 45.012 45.100 0.027 0.000 0.893 161 G HN 0.710 nan 8.290 nan 0.000 0.485 162 G N -0.310 108.491 108.800 0.002 0.000 2.553 162 G HA2 0.527 4.487 3.960 -0.001 0.000 0.278 162 G HA3 0.527 4.487 3.960 -0.001 0.000 0.278 162 G C -0.778 174.114 174.900 -0.013 0.000 1.349 162 G CA 0.072 45.169 45.100 -0.004 0.000 1.037 162 G HN 0.448 nan 8.290 nan 0.000 0.508 163 P HA -0.114 nan 4.420 nan 0.000 0.216 163 P C 1.959 179.246 177.300 -0.021 0.000 1.150 163 P CA 0.974 64.061 63.100 -0.022 0.000 0.843 163 P CB 0.068 31.756 31.700 -0.020 0.000 0.787 164 I N -1.749 118.812 120.570 -0.015 0.000 2.163 164 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 164 I C 2.437 178.543 176.117 -0.018 0.000 1.085 164 I CA 1.459 62.751 61.300 -0.013 0.000 1.347 164 I CB -0.568 37.428 38.000 -0.008 0.000 1.044 164 I HN -0.080 nan 8.210 nan 0.000 0.408 165 M N -0.161 119.431 119.600 -0.014 0.000 2.200 165 M HA -0.100 4.379 4.480 -0.001 0.000 0.265 165 M C 2.496 178.782 176.300 -0.024 0.000 1.066 165 M CA 1.359 56.652 55.300 -0.011 0.000 1.127 165 M CB -0.852 31.761 32.600 0.022 0.000 1.379 165 M HN 0.101 nan 8.290 nan 0.000 0.420 166 V N 0.688 120.579 119.914 -0.038 0.000 2.287 166 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 166 V C 2.698 178.750 176.094 -0.070 0.000 1.053 166 V CA 2.040 64.300 62.300 -0.066 0.000 1.027 166 V CB -1.470 30.316 31.823 -0.061 0.000 0.646 166 V HN 0.486 nan 8.190 nan 0.000 0.447 167 A N -0.087 122.703 122.820 -0.051 0.000 1.902 167 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 167 A C 2.419 179.978 177.584 -0.042 0.000 1.181 167 A CA 2.026 54.035 52.037 -0.048 0.000 0.623 167 A CB -0.586 18.396 19.000 -0.030 0.000 0.818 167 A HN 0.503 nan 8.150 nan 0.000 0.443 168 R N -0.771 119.707 120.500 -0.037 0.000 2.081 168 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 168 R C 2.117 178.378 176.300 -0.064 0.000 1.131 168 R CA 2.087 58.168 56.100 -0.032 0.000 0.960 168 R CB -0.621 29.620 30.300 -0.099 0.000 0.856 168 R HN 0.479 nan 8.270 nan 0.000 0.436 169 T N 0.411 114.898 114.554 -0.113 0.000 2.674 169 T HA -0.109 4.240 4.350 -0.001 0.000 0.265 169 T C 1.840 176.396 174.700 -0.241 0.000 1.039 169 T CA 1.578 63.576 62.100 -0.171 0.000 1.150 169 T CB -0.193 68.589 68.868 -0.143 0.000 0.864 169 T HN 0.052 nan 8.240 nan 0.000 0.427 170 V N 1.487 121.262 119.914 -0.231 0.000 2.343 170 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 170 V C 2.534 178.467 176.094 -0.269 0.000 1.051 170 V CA 2.007 64.112 62.300 -0.324 0.000 1.036 170 V CB -0.634 31.033 31.823 -0.261 0.000 0.654 170 V HN 0.574 nan 8.190 nan 0.000 0.451 171 E N -0.360 119.779 120.200 -0.100 0.000 2.058 171 E HA -0.292 4.057 4.350 -0.001 0.000 0.194 171 E C 2.188 178.804 176.600 0.027 0.000 0.997 171 E CA 1.936 58.317 56.400 -0.032 0.000 0.801 171 E CB -0.141 29.591 29.700 0.053 0.000 0.746 171 E HN 0.750 nan 8.360 nan 0.000 0.450 172 H N -1.214 117.834 119.070 -0.037 0.000 2.389 172 H HA -0.095 4.461 4.556 0.000 0.000 0.299 172 H C 1.694 177.096 175.328 0.122 0.000 1.081 172 H CA 1.648 57.717 56.048 0.035 0.000 1.345 172 H CB -0.331 29.471 29.762 0.066 0.000 1.393 172 H HN 0.273 nan 8.280 nan 0.000 0.520 173 Y N 0.219 120.526 120.300 0.011 0.000 2.181 173 Y HA -0.142 4.409 4.550 0.001 0.000 0.288 173 Y C 2.546 178.421 175.900 -0.041 0.000 1.146 173 Y CA 0.715 58.818 58.100 0.005 0.000 1.164 173 Y CB -0.801 37.695 38.460 0.059 0.000 0.982 173 Y HN 0.170 nan 8.280 nan 0.000 0.515 174 I N 0.029 120.563 120.570 -0.059 0.000 2.163 174 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 174 I C 2.567 178.673 176.117 -0.018 0.000 1.085 174 I CA 1.953 63.205 61.300 -0.080 0.000 1.347 174 I CB -0.310 37.560 38.000 -0.217 0.000 1.044 174 I HN 0.135 nan 8.210 nan 0.000 0.408 175 R N 0.498 120.961 120.500 -0.062 0.000 2.148 175 R HA -0.037 4.302 4.340 -0.001 0.000 0.227 175 R C 1.726 177.955 176.300 -0.118 0.000 1.103 175 R CA 1.586 57.625 56.100 -0.102 0.000 0.983 175 R CB -0.496 29.709 30.300 -0.157 0.000 0.874 175 R HN 0.042 nan 8.270 nan 0.000 0.451 176 S N -0.115 115.539 115.700 -0.077 0.000 2.650 176 S HA 0.190 4.659 4.470 -0.001 0.000 0.219 176 S C 0.994 175.557 174.600 -0.062 0.000 0.960 176 S CA 0.511 58.653 58.200 -0.097 0.000 0.925 176 S CB 0.477 63.625 63.200 -0.087 0.000 0.775 176 S HN 0.777 nan 8.310 nan 0.000 0.525 177 G N 0.983 109.780 108.800 -0.006 0.000 2.148 177 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.254 177 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.254 177 G C 0.161 175.127 174.900 0.110 0.000 0.981 177 G CA 0.099 45.240 45.100 0.068 0.000 0.670 177 G HN 0.423 nan 8.290 nan 0.000 0.528 178 V N 0.476 120.472 119.914 0.136 0.000 2.637 178 V HA 0.471 4.590 4.120 -0.001 0.000 0.296 178 V C 1.713 177.986 176.094 0.298 0.000 1.046 178 V CA 0.826 63.234 62.300 0.179 0.000 1.066 178 V CB 1.220 33.148 31.823 0.175 0.000 0.968 178 V HN 0.804 nan 8.190 nan 0.000 0.483 179 A N 3.472 126.366 122.820 0.124 0.000 1.975 179 A HA 0.552 4.871 4.320 -0.001 0.000 0.215 179 A C 1.065 178.471 177.584 -0.296 0.000 1.170 179 A CA 1.101 53.155 52.037 0.027 0.000 0.656 179 A CB -0.121 18.890 19.000 0.018 0.000 0.821 179 A HN 1.226 nan 8.150 nan 0.000 0.449 180 G N -3.127 105.392 108.800 -0.468 0.000 2.495 180 G HA2 0.669 4.629 3.960 -0.001 0.000 0.294 180 G HA3 0.669 4.629 3.960 -0.001 0.000 0.294 180 G C -1.370 173.291 174.900 -0.399 0.000 1.397 180 G CA 0.122 44.644 45.100 -0.963 0.000 0.790 180 G HN 1.283 nan 8.290 nan 0.000 0.486 181 A N -0.362 122.315 122.820 -0.237 0.000 2.605 181 A HA 0.770 5.089 4.320 -0.001 0.000 0.294 181 A C -1.102 176.564 177.584 0.135 0.000 1.062 181 A CA -0.533 51.581 52.037 0.128 0.000 0.682 181 A CB 1.136 20.399 19.000 0.438 0.000 1.278 181 A HN 2.145 nan 8.150 nan 0.000 0.410 182 H N -0.053 119.120 119.070 0.171 0.000 2.467 182 H HA 0.765 5.320 4.556 -0.002 0.000 0.326 182 H C -0.974 174.424 175.328 0.117 0.000 1.094 182 H CA -1.032 55.090 56.048 0.124 0.000 1.253 182 H CB 1.304 31.121 29.762 0.092 0.000 1.439 182 H HN 0.690 nan 8.280 nan 0.000 0.479 183 L N 3.511 124.888 121.223 0.257 0.000 2.356 183 L HA 0.393 4.733 4.340 -0.001 0.000 0.277 183 L C -0.433 176.596 176.870 0.264 0.000 0.996 183 L CA -0.550 54.397 54.840 0.178 0.000 0.822 183 L CB 1.391 43.520 42.059 0.116 0.000 1.256 183 L HN 1.035 nan 8.230 nan 0.000 0.413 184 E N 2.143 122.463 120.200 0.200 0.000 2.281 184 E HA 0.400 4.749 4.350 -0.001 0.000 0.257 184 E C -1.014 175.631 176.600 0.075 0.000 0.971 184 E CA -0.533 55.942 56.400 0.126 0.000 0.839 184 E CB 1.429 31.159 29.700 0.050 0.000 1.238 184 E HN 0.639 nan 8.360 nan 0.000 0.412 185 D N 0.058 120.308 120.400 -0.249 0.000 2.388 185 D HA 0.013 4.652 4.640 -0.001 0.000 0.221 185 D C -0.085 176.123 176.300 -0.154 0.000 1.133 185 D CA -0.236 53.561 54.000 -0.339 0.000 0.831 185 D CB 0.026 40.248 40.800 -0.963 0.000 0.962 185 D HN 0.315 nan 8.370 nan 0.000 0.502 186 Q N 0.686 120.432 119.800 -0.090 0.000 2.421 186 Q HA 0.207 4.546 4.340 -0.001 0.000 0.255 186 Q C 0.985 176.968 176.000 -0.029 0.000 1.013 186 Q CA -0.362 55.408 55.803 -0.055 0.000 0.895 186 Q CB 1.535 30.254 28.738 -0.031 0.000 1.271 186 Q HN 0.432 nan 8.270 nan 0.000 0.460 187 I N -1.417 119.140 120.570 -0.022 0.000 2.993 187 I HA -0.135 4.034 4.170 -0.001 0.000 0.286 187 I C 1.026 177.141 176.117 -0.002 0.000 1.215 187 I CA -0.255 61.039 61.300 -0.009 0.000 1.393 187 I CB 0.361 38.357 38.000 -0.007 0.000 1.371 187 I HN 0.654 nan 8.210 nan 0.000 0.602 188 L N 2.324 123.549 121.223 0.003 0.000 2.079 188 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 188 L C 1.862 178.745 176.870 0.021 0.000 1.081 188 L CA 1.752 56.597 54.840 0.009 0.000 0.752 188 L CB -0.849 41.219 42.059 0.015 0.000 0.896 188 L HN 0.918 nan 8.230 nan 0.000 0.433 189 T N -0.901 113.664 114.554 0.018 0.000 4.313 189 T HA 0.208 4.557 4.350 -0.001 0.000 0.272 189 T C 0.222 174.934 174.700 0.020 0.000 1.298 189 T CA -0.725 61.389 62.100 0.023 0.000 1.124 189 T CB -0.566 68.312 68.868 0.017 0.000 1.352 189 T HN 0.282 nan 8.240 nan 0.000 1.013 190 K N 1.652 122.068 120.400 0.026 0.000 2.318 190 K HA 0.599 4.918 4.320 -0.001 0.000 0.243 190 K C 0.265 176.885 176.600 0.034 0.000 1.047 190 K CA -1.182 55.120 56.287 0.024 0.000 0.937 190 K CB 0.765 33.282 32.500 0.027 0.000 1.225 190 K HN 0.633 nan 8.250 nan 0.000 0.506 191 R N -1.230 119.292 120.500 0.037 0.000 2.692 191 R HA 0.303 4.642 4.340 -0.001 0.000 0.269 191 R C -1.237 175.102 176.300 0.065 0.000 1.030 191 R CA -1.042 55.085 56.100 0.046 0.000 0.882 191 R CB 0.618 30.935 30.300 0.028 0.000 1.250 191 R HN 0.801 nan 8.270 nan 0.000 0.465 192 C N 1.970 121.323 119.300 0.088 0.000 2.465 192 C HA 0.127 4.587 4.460 -0.001 0.000 0.402 192 C C 2.109 177.169 174.990 0.116 0.000 1.448 192 C CA 1.233 60.328 59.018 0.128 0.000 1.589 192 C CB -0.475 27.355 27.740 0.151 0.000 2.535 192 C HN 0.945 nan 8.230 nan 0.000 0.600 193 G N 2.932 111.820 108.800 0.146 0.000 2.535 193 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 193 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 193 G C 0.985 175.939 174.900 0.089 0.000 1.122 193 G CA 0.740 45.901 45.100 0.102 0.000 0.769 193 G HN 0.962 nan 8.290 nan 0.000 0.549 194 H N -0.825 118.242 119.070 -0.005 0.000 2.529 194 H HA 0.385 4.940 4.556 -0.001 0.000 0.277 194 H C 0.676 175.955 175.328 -0.080 0.000 1.004 194 H CA -0.350 55.688 56.048 -0.016 0.000 1.167 194 H CB 0.192 29.983 29.762 0.049 0.000 1.445 194 H HN 0.164 nan 8.280 nan 0.000 0.554 195 L N 0.333 121.570 121.223 0.023 0.000 2.357 195 L HA 0.299 4.639 4.340 -0.001 0.000 0.273 195 L C 0.516 177.337 176.870 -0.082 0.000 1.080 195 L CA -0.576 54.239 54.840 -0.041 0.000 0.803 195 L CB 1.481 43.539 42.059 -0.001 0.000 1.174 195 L HN 0.058 nan 8.230 nan 0.000 0.443 196 S N 0.574 116.210 115.700 -0.106 0.000 2.624 196 S HA 0.411 4.880 4.470 -0.001 0.000 0.263 196 S C 0.917 175.482 174.600 -0.059 0.000 1.287 196 S CA 0.236 58.379 58.200 -0.095 0.000 0.990 196 S CB 1.168 64.307 63.200 -0.101 0.000 0.950 196 S HN 1.038 nan 8.310 nan 0.000 0.561 197 G N 0.637 109.405 108.800 -0.052 0.000 2.176 197 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.252 197 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.252 197 G C -0.149 174.731 174.900 -0.034 0.000 1.024 197 G CA 0.434 45.511 45.100 -0.037 0.000 0.755 197 G HN 0.629 nan 8.290 nan 0.000 0.507 198 K N 0.633 121.008 120.400 -0.042 0.000 2.263 198 K HA 0.416 4.735 4.320 -0.001 0.000 0.282 198 K C 0.202 176.776 176.600 -0.044 0.000 1.089 198 K CA -0.657 55.606 56.287 -0.040 0.000 0.907 198 K CB 0.281 32.752 32.500 -0.047 0.000 1.148 198 K HN -0.013 nan 8.250 nan 0.000 0.470 199 K N 2.661 123.039 120.400 -0.036 0.000 2.118 199 K HA 0.321 4.640 4.320 -0.001 0.000 0.254 199 K C -0.218 176.354 176.600 -0.046 0.000 0.961 199 K CA -0.699 55.565 56.287 -0.038 0.000 0.876 199 K CB 1.843 34.327 32.500 -0.027 0.000 1.077 199 K HN 0.491 nan 8.250 nan 0.000 0.440 200 V N -1.365 118.516 119.914 -0.055 0.000 2.960 200 V HA 0.601 4.721 4.120 -0.001 0.000 0.315 200 V C 0.328 176.392 176.094 -0.050 0.000 1.087 200 V CA -1.123 61.134 62.300 -0.072 0.000 0.982 200 V CB 1.482 33.234 31.823 -0.117 0.000 1.039 200 V HN 0.512 nan 8.190 nan 0.000 0.437 201 V N 0.728 120.617 119.914 -0.042 0.000 3.385 201 V HA 0.641 4.761 4.120 -0.001 0.000 0.301 201 V C 0.908 177.000 176.094 -0.003 0.000 1.082 201 V CA 0.247 62.542 62.300 -0.008 0.000 1.085 201 V CB 0.935 32.771 31.823 0.021 0.000 1.152 201 V HN 1.643 nan 8.190 nan 0.000 0.465 202 S N 1.083 116.792 115.700 0.015 0.000 2.580 202 S HA 0.154 4.624 4.470 -0.001 0.000 0.266 202 S C 1.109 175.743 174.600 0.057 0.000 1.354 202 S CA 0.522 58.735 58.200 0.022 0.000 1.008 202 S CB 0.402 63.614 63.200 0.020 0.000 0.898 202 S HN 0.963 nan 8.310 nan 0.000 0.555 203 R N 0.625 121.158 120.500 0.054 0.000 2.083 203 R HA -0.157 4.182 4.340 -0.001 0.000 0.237 203 R C 1.198 177.561 176.300 0.104 0.000 1.137 203 R CA 2.208 58.367 56.100 0.099 0.000 0.951 203 R CB -0.602 29.734 30.300 0.060 0.000 0.851 203 R HN 0.783 nan 8.270 nan 0.000 0.434 204 D N -0.099 120.334 120.400 0.054 0.000 2.117 204 D HA -0.189 4.451 4.640 -0.001 0.000 0.197 204 D C 1.680 178.003 176.300 0.038 0.000 0.987 204 D CA 1.312 55.331 54.000 0.032 0.000 0.829 204 D CB -0.157 40.651 40.800 0.015 0.000 0.961 204 D HN 0.463 nan 8.370 nan 0.000 0.460 205 E N -0.789 119.445 120.200 0.056 0.000 2.107 205 E HA -0.206 4.144 4.350 -0.001 0.000 0.191 205 E C 1.991 178.651 176.600 0.100 0.000 0.982 205 E CA 0.438 56.871 56.400 0.056 0.000 0.809 205 E CB -0.113 29.616 29.700 0.048 0.000 0.756 205 E HN 0.231 nan 8.360 nan 0.000 0.459 206 Y N 1.299 121.590 120.300 -0.015 0.000 2.145 206 Y HA -0.172 4.375 4.550 -0.004 0.000 0.286 206 Y C 1.773 177.667 175.900 -0.009 0.000 1.145 206 Y CA 1.572 59.665 58.100 -0.013 0.000 1.148 206 Y CB -0.354 38.099 38.460 -0.011 0.000 0.981 206 Y HN 0.049 nan 8.280 nan 0.000 0.507 207 L N -1.216 119.936 121.223 -0.118 0.000 2.201 207 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 207 L C 2.367 179.145 176.870 -0.154 0.000 1.105 207 L CA 0.805 55.512 54.840 -0.222 0.000 0.775 207 L CB -0.717 41.277 42.059 -0.109 0.000 0.913 207 L HN 0.094 nan 8.230 nan 0.000 0.440 208 V N 0.076 119.942 119.914 -0.080 0.000 2.332 208 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 208 V C 2.645 178.696 176.094 -0.072 0.000 1.055 208 V CA 1.793 64.058 62.300 -0.058 0.000 1.038 208 V CB -0.577 31.231 31.823 -0.025 0.000 0.651 208 V HN 0.447 nan 8.190 nan 0.000 0.450 209 R N -0.423 120.028 120.500 -0.082 0.000 2.073 209 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 209 R C 2.250 178.475 176.300 -0.124 0.000 1.134 209 R CA 1.520 57.572 56.100 -0.081 0.000 0.952 209 R CB -0.437 29.844 30.300 -0.032 0.000 0.850 209 R HN 0.341 nan 8.270 nan 0.000 0.433 210 I N 1.031 121.458 120.570 -0.238 0.000 2.163 210 I HA -0.267 3.903 4.170 -0.001 0.000 0.243 210 I C 2.377 178.427 176.117 -0.111 0.000 1.085 210 I CA 1.526 62.700 61.300 -0.210 0.000 1.347 210 I CB -0.989 36.809 38.000 -0.338 0.000 1.044 210 I HN 0.199 nan 8.210 nan 0.000 0.408 211 R N 0.507 120.942 120.500 -0.109 0.000 2.073 211 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 211 R C 2.387 178.660 176.300 -0.046 0.000 1.134 211 R CA 1.619 57.679 56.100 -0.066 0.000 0.952 211 R CB -0.393 29.870 30.300 -0.062 0.000 0.850 211 R HN 0.385 nan 8.270 nan 0.000 0.433 212 A N 1.082 123.873 122.820 -0.049 0.000 1.908 212 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 212 A C 2.341 179.905 177.584 -0.034 0.000 1.181 212 A CA 1.900 53.914 52.037 -0.038 0.000 0.627 212 A CB -0.640 18.336 19.000 -0.040 0.000 0.818 212 A HN 0.438 nan 8.150 nan 0.000 0.445 213 A N -0.775 122.025 122.820 -0.034 0.000 1.873 213 A HA 0.051 4.370 4.320 -0.001 0.000 0.215 213 A C 2.240 179.830 177.584 0.011 0.000 1.186 213 A CA 1.685 53.713 52.037 -0.016 0.000 0.616 213 A CB -0.910 18.096 19.000 0.009 0.000 0.823 213 A HN 0.384 nan 8.150 nan 0.000 0.442 214 V N -0.009 119.915 119.914 0.016 0.000 2.343 214 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 214 V C 3.067 179.172 176.094 0.019 0.000 1.051 214 V CA 1.893 64.214 62.300 0.035 0.000 1.036 214 V CB -1.243 30.595 31.823 0.024 0.000 0.654 214 V HN 0.606 nan 8.190 nan 0.000 0.451 215 A N -0.244 122.575 122.820 -0.001 0.000 1.940 215 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 215 A C 2.388 179.968 177.584 -0.007 0.000 1.176 215 A CA 2.616 54.651 52.037 -0.004 0.000 0.631 215 A CB -0.927 18.066 19.000 -0.012 0.000 0.814 215 A HN 0.527 nan 8.150 nan 0.000 0.446 216 T N 0.395 114.939 114.554 -0.017 0.000 2.737 216 T HA -0.142 4.208 4.350 -0.001 0.000 0.265 216 T C 1.984 176.664 174.700 -0.033 0.000 1.038 216 T CA 1.694 63.775 62.100 -0.032 0.000 1.144 216 T CB -0.261 68.573 68.868 -0.057 0.000 0.866 216 T HN 0.830 nan 8.240 nan 0.000 0.434 217 K N 1.612 122.000 120.400 -0.020 0.000 2.147 217 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 217 K C 2.268 178.888 176.600 0.033 0.000 1.049 217 K CA 1.130 57.422 56.287 0.008 0.000 0.936 217 K CB -0.205 32.358 32.500 0.105 0.000 0.722 217 K HN 0.240 nan 8.250 nan 0.000 0.446 218 R N 0.750 121.269 120.500 0.031 0.000 2.066 218 R HA -0.039 4.300 4.340 -0.001 0.000 0.232 218 R C 2.632 178.941 176.300 0.016 0.000 1.131 218 R CA 1.453 57.570 56.100 0.029 0.000 0.955 218 R CB -0.385 29.930 30.300 0.024 0.000 0.851 218 R HN 0.235 nan 8.270 nan 0.000 0.432 219 R N 1.122 121.625 120.500 0.005 0.000 2.117 219 R HA -0.103 4.236 4.340 -0.001 0.000 0.243 219 R C 1.687 177.986 176.300 -0.001 0.000 1.143 219 R CA 1.301 57.401 56.100 -0.000 0.000 0.968 219 R CB -0.144 30.151 30.300 -0.007 0.000 0.863 219 R HN 0.193 nan 8.270 nan 0.000 0.444 220 L N 0.349 121.569 121.223 -0.004 0.000 2.611 220 L HA 0.194 4.533 4.340 -0.001 0.000 0.229 220 L C 0.124 177.001 176.870 0.012 0.000 1.137 220 L CA 0.030 54.866 54.840 -0.006 0.000 0.901 220 L CB 0.033 42.076 42.059 -0.027 0.000 1.098 220 L HN 0.200 nan 8.230 nan 0.000 0.456 221 R N -0.007 120.506 120.500 0.022 0.000 3.416 221 R HA -0.160 4.180 4.340 -0.001 0.000 0.263 221 R C 0.203 176.533 176.300 0.051 0.000 1.053 221 R CA 0.556 56.677 56.100 0.034 0.000 0.705 221 R CB -2.018 28.299 30.300 0.028 0.000 1.124 221 R HN 0.296 nan 8.270 nan 0.000 0.444 222 S N -0.689 115.051 115.700 0.066 0.000 2.549 222 S HA 0.288 4.758 4.470 -0.001 0.000 0.297 222 S C 0.564 175.245 174.600 0.135 0.000 1.115 222 S CA -0.920 57.341 58.200 0.102 0.000 1.059 222 S CB 1.536 64.800 63.200 0.106 0.000 1.046 222 S HN 0.186 nan 8.310 nan 0.000 0.506 223 D N 2.096 122.584 120.400 0.146 0.000 2.328 223 D HA 0.132 4.772 4.640 -0.001 0.000 0.226 223 D C 0.026 176.429 176.300 0.171 0.000 1.066 223 D CA 0.001 54.079 54.000 0.129 0.000 0.861 223 D CB -0.362 40.495 40.800 0.096 0.000 0.912 223 D HN 0.527 nan 8.370 nan 0.000 0.521 224 F N 1.355 121.342 119.950 0.061 0.000 2.604 224 F HA -0.135 4.390 4.527 -0.002 0.000 0.390 224 F C 0.259 176.103 175.800 0.072 0.000 1.053 224 F CA 0.212 58.257 58.000 0.074 0.000 1.256 224 F CB 0.523 39.569 39.000 0.077 0.000 0.996 224 F HN -0.319 nan 8.300 nan 0.000 0.564 225 V N 8.623 128.302 119.914 -0.392 0.000 2.334 225 V HA 0.149 4.269 4.120 -0.001 0.000 0.267 225 V C -0.266 175.657 176.094 -0.285 0.000 1.040 225 V CA -0.714 61.448 62.300 -0.230 0.000 0.866 225 V CB 0.870 32.585 31.823 -0.180 0.000 1.019 225 V HN 0.574 nan 8.190 nan 0.000 0.468 226 L N 7.700 128.912 121.223 -0.018 0.000 2.265 226 L HA 0.565 4.905 4.340 -0.001 0.000 0.288 226 L C -0.332 176.590 176.870 0.086 0.000 1.058 226 L CA 0.372 55.266 54.840 0.089 0.000 0.809 226 L CB 0.807 42.990 42.059 0.207 0.000 1.179 226 L HN 0.507 nan 8.230 nan 0.000 0.429 227 I N 5.603 126.226 120.570 0.089 0.000 2.321 227 I HA 0.466 4.635 4.170 -0.001 0.000 0.291 227 I C 0.272 176.493 176.117 0.173 0.000 0.998 227 I CA -0.341 61.015 61.300 0.093 0.000 1.227 227 I CB 1.573 39.622 38.000 0.082 0.000 1.368 227 I HN 0.767 nan 8.210 nan 0.000 0.466 228 A N 7.342 130.290 122.820 0.214 0.000 2.310 228 A HA 0.475 4.794 4.320 -0.001 0.000 0.300 228 A C 0.077 177.818 177.584 0.261 0.000 1.269 228 A CA -0.395 51.822 52.037 0.300 0.000 0.909 228 A CB 0.155 19.385 19.000 0.385 0.000 1.144 228 A HN 0.794 nan 8.150 nan 0.000 0.540 229 R N 2.029 122.669 120.500 0.234 0.000 2.407 229 R HA 0.532 4.871 4.340 -0.001 0.000 0.303 229 R C -0.711 175.583 176.300 -0.010 0.000 0.981 229 R CA -0.078 56.066 56.100 0.074 0.000 0.905 229 R CB 1.177 31.488 30.300 0.019 0.000 1.099 229 R HN 0.577 nan 8.270 nan 0.000 0.459 230 T N 1.782 116.275 114.554 -0.102 0.000 2.792 230 T HA 0.217 4.566 4.350 -0.001 0.000 0.280 230 T C -0.308 174.273 174.700 -0.199 0.000 0.990 230 T CA -0.700 61.264 62.100 -0.228 0.000 0.960 230 T CB 1.124 69.866 68.868 -0.211 0.000 0.939 230 T HN 0.654 nan 8.240 nan 0.000 0.439 231 D N 3.747 124.025 120.400 -0.203 0.000 2.358 231 D HA 0.211 4.851 4.640 -0.001 0.000 0.224 231 D C 1.519 177.731 176.300 -0.147 0.000 1.123 231 D CA 0.004 53.909 54.000 -0.158 0.000 0.833 231 D CB 0.634 41.361 40.800 -0.121 0.000 0.946 231 D HN 0.667 nan 8.370 nan 0.000 0.505 232 A N 0.492 123.216 122.820 -0.159 0.000 2.167 232 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 232 A C 1.993 179.522 177.584 -0.091 0.000 1.151 232 A CA 0.222 52.184 52.037 -0.125 0.000 0.735 232 A CB -0.100 18.821 19.000 -0.132 0.000 0.802 232 A HN 0.208 nan 8.150 nan 0.000 0.467 233 L N 0.068 121.233 121.223 -0.097 0.000 1.989 233 L HA -0.243 4.097 4.340 -0.001 0.000 0.211 233 L C 2.446 179.288 176.870 -0.046 0.000 1.071 233 L CA 2.693 57.500 54.840 -0.055 0.000 0.749 233 L CB -0.818 41.204 42.059 -0.061 0.000 0.890 233 L HN 0.600 nan 8.230 nan 0.000 0.431 234 Q N -1.016 118.740 119.800 -0.074 0.000 2.077 234 Q HA -0.237 4.102 4.340 -0.001 0.000 0.206 234 Q C 2.050 178.021 176.000 -0.050 0.000 0.989 234 Q CA 2.690 58.452 55.803 -0.069 0.000 0.853 234 Q CB -0.082 28.602 28.738 -0.089 0.000 0.907 234 Q HN 0.756 nan 8.270 nan 0.000 0.418 235 S N -1.671 113.999 115.700 -0.050 0.000 2.497 235 S HA 0.133 4.603 4.470 -0.001 0.000 0.221 235 S C 1.549 176.132 174.600 -0.028 0.000 1.037 235 S CA -0.084 58.093 58.200 -0.039 0.000 0.920 235 S CB 0.246 63.421 63.200 -0.042 0.000 0.800 235 S HN 0.403 nan 8.310 nan 0.000 0.505 236 L N 0.741 121.946 121.223 -0.030 0.000 2.781 236 L HA 0.476 4.815 4.340 -0.001 0.000 0.245 236 L C 1.163 178.033 176.870 -0.002 0.000 1.118 236 L CA 0.234 55.062 54.840 -0.020 0.000 0.918 236 L CB 0.236 42.276 42.059 -0.032 0.000 1.246 236 L HN 0.600 nan 8.230 nan 0.000 0.526 237 G N -0.339 108.465 108.800 0.007 0.000 2.655 237 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.680 237 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.680 237 G C -0.277 174.672 174.900 0.083 0.000 1.302 237 G CA 0.126 45.258 45.100 0.053 0.000 0.872 237 G HN 0.019 nan 8.290 nan 0.000 0.540 238 Y N 0.301 120.609 120.300 0.014 0.000 2.109 238 Y HA -0.039 4.511 4.550 -0.000 0.000 0.285 238 Y C 2.859 178.779 175.900 0.033 0.000 1.131 238 Y CA 2.761 60.882 58.100 0.036 0.000 1.121 238 Y CB -0.185 38.308 38.460 0.055 0.000 0.987 238 Y HN 0.818 nan 8.280 nan 0.000 0.495 239 E N -0.081 120.204 120.200 0.141 0.000 2.097 239 E HA -0.345 4.005 4.350 -0.001 0.000 0.196 239 E C 2.090 178.655 176.600 -0.059 0.000 1.000 239 E CA 1.621 58.039 56.400 0.030 0.000 0.804 239 E CB -0.193 29.563 29.700 0.094 0.000 0.740 239 E HN 0.552 nan 8.360 nan 0.000 0.454 240 E N 0.178 120.357 120.200 -0.036 0.000 2.077 240 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 240 E C 1.961 178.512 176.600 -0.082 0.000 0.989 240 E CA 1.668 58.041 56.400 -0.046 0.000 0.800 240 E CB -0.531 29.149 29.700 -0.034 0.000 0.746 240 E HN 0.357 nan 8.360 nan 0.000 0.452 241 C N 0.370 119.594 119.300 -0.128 0.000 2.432 241 C HA -0.105 4.355 4.460 -0.001 0.000 0.277 241 C C 2.486 177.390 174.990 -0.144 0.000 1.249 241 C CA 0.537 59.465 59.018 -0.150 0.000 1.725 241 C CB -0.932 26.694 27.740 -0.190 0.000 2.028 241 C HN 0.481 nan 8.230 nan 0.000 0.477 242 I N 1.220 121.644 120.570 -0.243 0.000 2.226 242 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 242 I C 2.503 178.577 176.117 -0.072 0.000 1.100 242 I CA 1.615 62.809 61.300 -0.177 0.000 1.374 242 I CB -1.584 36.266 38.000 -0.250 0.000 1.057 242 I HN 0.516 nan 8.210 nan 0.000 0.413 243 E N 0.395 120.557 120.200 -0.064 0.000 2.110 243 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 243 E C 2.325 178.919 176.600 -0.010 0.000 0.988 243 E CA 0.869 57.249 56.400 -0.033 0.000 0.804 243 E CB -0.174 29.512 29.700 -0.024 0.000 0.745 243 E HN 0.488 nan 8.360 nan 0.000 0.458 244 R N 0.535 121.041 120.500 0.010 0.000 2.081 244 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 244 R C 2.536 178.914 176.300 0.130 0.000 1.131 244 R CA 0.912 57.066 56.100 0.090 0.000 0.960 244 R CB -0.237 30.099 30.300 0.060 0.000 0.856 244 R HN 0.154 nan 8.270 nan 0.000 0.436 245 L N -0.020 121.260 121.223 0.096 0.000 2.056 245 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 245 L C 2.541 179.365 176.870 -0.076 0.000 1.078 245 L CA 1.284 56.217 54.840 0.153 0.000 0.749 245 L CB -0.327 41.889 42.059 0.262 0.000 0.901 245 L HN 0.150 nan 8.230 nan 0.000 0.433 246 R N -0.025 120.412 120.500 -0.105 0.000 2.081 246 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 246 R C 2.438 178.601 176.300 -0.229 0.000 1.131 246 R CA 1.390 57.360 56.100 -0.217 0.000 0.960 246 R CB -0.531 29.696 30.300 -0.122 0.000 0.856 246 R HN 0.350 nan 8.270 nan 0.000 0.436 247 A N 1.338 124.086 122.820 -0.121 0.000 1.902 247 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 247 A C 2.396 179.896 177.584 -0.140 0.000 1.181 247 A CA 1.719 53.694 52.037 -0.103 0.000 0.623 247 A CB -0.660 18.318 19.000 -0.037 0.000 0.818 247 A HN 0.404 nan 8.150 nan 0.000 0.443 248 A N -0.339 122.413 122.820 -0.113 0.000 1.902 248 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 248 A C 2.263 179.730 177.584 -0.193 0.000 1.181 248 A CA 1.736 53.703 52.037 -0.116 0.000 0.623 248 A CB -0.546 18.479 19.000 0.042 0.000 0.818 248 A HN 0.566 nan 8.150 nan 0.000 0.443 249 R N -0.240 119.960 120.500 -0.501 0.000 2.083 249 R HA -0.196 4.144 4.340 -0.001 0.000 0.237 249 R C 1.243 177.296 176.300 -0.411 0.000 1.137 249 R CA 2.040 57.643 56.100 -0.828 0.000 0.951 249 R CB -0.457 28.857 30.300 -1.644 0.000 0.851 249 R HN 0.428 nan 8.270 nan 0.000 0.434 250 D N 0.495 120.704 120.400 -0.318 0.000 2.218 250 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 250 D C 1.463 177.687 176.300 -0.126 0.000 0.976 250 D CA 0.919 54.804 54.000 -0.192 0.000 0.853 250 D CB -0.081 40.626 40.800 -0.155 0.000 0.939 250 D HN 0.318 nan 8.370 nan 0.000 0.481 251 E N -0.469 119.657 120.200 -0.122 0.000 2.481 251 E HA 0.113 4.463 4.350 -0.001 0.000 0.195 251 E C 1.314 177.885 176.600 -0.049 0.000 1.047 251 E CA 0.568 56.918 56.400 -0.084 0.000 0.867 251 E CB 0.590 30.230 29.700 -0.101 0.000 0.858 251 E HN 0.353 nan 8.360 nan 0.000 0.513 252 G N 0.713 109.490 108.800 -0.038 0.000 2.183 252 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.168 252 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.168 252 G C 0.428 175.391 174.900 0.104 0.000 1.008 252 G CA -0.095 45.019 45.100 0.024 0.000 0.677 252 G HN 0.440 nan 8.290 nan 0.000 0.498 253 A N 0.290 123.194 122.820 0.140 0.000 2.462 253 A HA 0.539 4.859 4.320 -0.001 0.000 0.243 253 A C 1.134 179.017 177.584 0.498 0.000 1.076 253 A CA 0.850 53.064 52.037 0.294 0.000 0.773 253 A CB 0.324 19.546 19.000 0.370 0.000 1.010 253 A HN 0.200 nan 8.150 nan 0.000 0.493 254 D N 0.143 120.747 120.400 0.339 0.000 2.271 254 D HA 0.135 4.775 4.640 -0.001 0.000 0.206 254 D C 0.031 176.304 176.300 -0.046 0.000 0.967 254 D CA 1.241 55.390 54.000 0.248 0.000 0.867 254 D CB 0.382 41.236 40.800 0.090 0.000 0.960 254 D HN 0.254 nan 8.370 nan 0.000 0.509 255 V N -0.290 119.475 119.914 -0.248 0.000 3.012 255 V HA 0.593 4.712 4.120 -0.001 0.000 0.307 255 V C 0.079 175.719 176.094 -0.757 0.000 1.166 255 V CA -1.130 60.726 62.300 -0.741 0.000 0.974 255 V CB 2.243 33.867 31.823 -0.331 0.000 1.040 255 V HN 0.053 nan 8.190 nan 0.000 0.428 256 G N 1.566 109.754 108.800 -1.020 0.000 2.432 256 G HA2 0.696 4.655 3.960 -0.001 0.000 0.331 256 G HA3 0.696 4.655 3.960 -0.001 0.000 0.331 256 G C -1.734 173.100 174.900 -0.109 0.000 1.170 256 G CA -0.574 44.328 45.100 -0.331 0.000 0.943 256 G HN 0.689 nan 8.290 nan 0.000 0.483 257 L N 2.113 123.334 121.223 -0.004 0.000 2.415 257 L HA 0.529 4.869 4.340 -0.001 0.000 0.268 257 L C -0.992 175.829 176.870 -0.083 0.000 0.984 257 L CA -0.853 53.957 54.840 -0.051 0.000 0.853 257 L CB 1.467 43.452 42.059 -0.124 0.000 1.215 257 L HN 0.458 nan 8.230 nan 0.000 0.419 258 L N 4.016 125.168 121.223 -0.118 0.000 2.283 258 L HA 0.435 4.775 4.340 -0.001 0.000 0.287 258 L C 0.081 176.605 176.870 -0.577 0.000 1.073 258 L CA -0.355 54.300 54.840 -0.308 0.000 0.822 258 L CB 0.855 42.750 42.059 -0.274 0.000 1.186 258 L HN 0.796 nan 8.230 nan 0.000 0.436 259 E N 4.266 124.228 120.200 -0.396 0.000 2.313 259 E HA 0.406 4.755 4.350 -0.001 0.000 0.276 259 E C 0.563 176.931 176.600 -0.386 0.000 1.031 259 E CA 0.423 56.619 56.400 -0.340 0.000 0.857 259 E CB 1.084 30.660 29.700 -0.205 0.000 1.040 259 E HN 0.742 nan 8.360 nan 0.000 0.408 260 G N 4.010 112.624 108.800 -0.309 0.000 2.333 260 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.296 260 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.296 260 G C -0.345 174.435 174.900 -0.201 0.000 1.059 260 G CA 0.001 44.922 45.100 -0.297 0.000 1.050 260 G HN 0.367 nan 8.290 nan 0.000 0.508 261 F N -0.868 119.070 119.950 -0.021 0.000 2.628 261 F HA 0.251 4.779 4.527 0.001 0.000 0.362 261 F C 2.024 177.824 175.800 0.000 0.000 1.148 261 F CA 0.309 58.322 58.000 0.022 0.000 1.352 261 F CB 0.498 39.531 39.000 0.056 0.000 1.081 261 F HN 0.219 nan 8.300 nan 0.000 0.605 262 R N 0.043 120.681 120.500 0.231 0.000 2.265 262 R HA 0.140 4.479 4.340 -0.001 0.000 0.194 262 R C -0.107 176.251 176.300 0.097 0.000 0.931 262 R CA 0.650 56.818 56.100 0.115 0.000 1.032 262 R CB 0.236 30.582 30.300 0.076 0.000 0.980 262 R HN 0.644 nan 8.270 nan 0.000 0.497 263 S N -1.332 114.434 115.700 0.110 0.000 2.570 263 S HA 0.322 4.792 4.470 -0.001 0.000 0.270 263 S C 0.030 174.627 174.600 -0.006 0.000 1.149 263 S CA -1.052 57.172 58.200 0.040 0.000 0.837 263 S CB 2.351 65.555 63.200 0.007 0.000 1.124 263 S HN -0.084 nan 8.310 nan 0.000 0.465 264 K N 0.803 121.188 120.400 -0.025 0.000 2.097 264 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 264 K C 1.969 178.510 176.600 -0.098 0.000 1.050 264 K CA 1.465 57.716 56.287 -0.060 0.000 0.938 264 K CB -0.204 32.281 32.500 -0.026 0.000 0.718 264 K HN 0.829 nan 8.250 nan 0.000 0.442 265 E N 1.465 121.619 120.200 -0.076 0.000 2.110 265 E HA -0.283 4.067 4.350 -0.001 0.000 0.193 265 E C 2.127 178.650 176.600 -0.128 0.000 0.988 265 E CA 1.237 57.584 56.400 -0.089 0.000 0.804 265 E CB 0.092 29.749 29.700 -0.072 0.000 0.745 265 E HN 0.276 nan 8.360 nan 0.000 0.458 266 Q N -0.218 119.503 119.800 -0.130 0.000 2.119 266 Q HA -0.149 4.190 4.340 -0.001 0.000 0.201 266 Q C 2.038 177.886 176.000 -0.254 0.000 0.972 266 Q CA 1.253 56.983 55.803 -0.122 0.000 0.847 266 Q CB -0.118 28.639 28.738 0.032 0.000 0.903 266 Q HN 0.377 nan 8.270 nan 0.000 0.433 267 A N 0.732 123.182 122.820 -0.617 0.000 1.877 267 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 267 A C 2.270 179.610 177.584 -0.407 0.000 1.186 267 A CA 1.620 52.994 52.037 -1.105 0.000 0.620 267 A CB -0.969 17.564 19.000 -0.778 0.000 0.822 267 A HN 0.523 nan 8.150 nan 0.000 0.443 268 A N -0.266 122.414 122.820 -0.233 0.000 1.933 268 A HA 0.166 4.485 4.320 -0.001 0.000 0.218 268 A C 2.444 179.944 177.584 -0.140 0.000 1.175 268 A CA 2.042 53.972 52.037 -0.178 0.000 0.628 268 A CB -0.866 18.069 19.000 -0.107 0.000 0.814 268 A HN 1.033 nan 8.150 nan 0.000 0.444 269 A N -0.293 122.474 122.820 -0.087 0.000 1.929 269 A HA 0.254 4.574 4.320 -0.001 0.000 0.216 269 A C 2.461 180.124 177.584 0.131 0.000 1.176 269 A CA 1.759 53.799 52.037 0.004 0.000 0.628 269 A CB -0.854 18.121 19.000 -0.042 0.000 0.816 269 A HN 0.962 nan 8.150 nan 0.000 0.444 270 A N -0.441 122.495 122.820 0.192 0.000 1.898 270 A HA 0.020 4.339 4.320 -0.001 0.000 0.216 270 A C 2.203 179.827 177.584 0.066 0.000 1.181 270 A CA 1.678 53.866 52.037 0.252 0.000 0.620 270 A CB -0.940 18.331 19.000 0.451 0.000 0.819 270 A HN 0.356 nan 8.150 nan 0.000 0.442 271 V N -0.030 119.806 119.914 -0.131 0.000 2.287 271 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 271 V C 3.050 179.082 176.094 -0.103 0.000 1.053 271 V CA 2.096 64.244 62.300 -0.253 0.000 1.027 271 V CB -1.215 30.277 31.823 -0.551 0.000 0.646 271 V HN 0.618 nan 8.190 nan 0.000 0.447 272 A N -0.242 122.537 122.820 -0.068 0.000 1.930 272 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 272 A C 2.393 179.992 177.584 0.026 0.000 1.175 272 A CA 1.837 53.861 52.037 -0.021 0.000 0.627 272 A CB -0.680 18.309 19.000 -0.018 0.000 0.815 272 A HN 0.579 nan 8.150 nan 0.000 0.443 273 A N -0.776 122.081 122.820 0.062 0.000 1.972 273 A HA 0.075 4.395 4.320 -0.001 0.000 0.219 273 A C 1.938 179.569 177.584 0.079 0.000 1.169 273 A CA 1.474 53.561 52.037 0.083 0.000 0.635 273 A CB -0.345 18.730 19.000 0.126 0.000 0.810 273 A HN 0.460 nan 8.150 nan 0.000 0.446 274 L N -1.186 120.098 121.223 0.102 0.000 2.638 274 L HA 0.295 4.635 4.340 -0.001 0.000 0.232 274 L C 1.281 178.256 176.870 0.176 0.000 1.099 274 L CA -0.010 54.932 54.840 0.171 0.000 0.883 274 L CB -0.019 42.223 42.059 0.304 0.000 1.136 274 L HN 0.309 nan 8.230 nan 0.000 0.492 275 A N 1.486 124.362 122.820 0.094 0.000 2.561 275 A HA 0.151 4.471 4.320 -0.001 0.000 0.234 275 A C -1.272 176.365 177.584 0.090 0.000 1.055 275 A CA -0.458 51.623 52.037 0.074 0.000 0.756 275 A CB -0.364 18.648 19.000 0.020 0.000 0.986 275 A HN 0.132 nan 8.150 nan 0.000 0.505 276 P HA 0.046 nan 4.420 nan 0.000 0.261 276 P C -0.327 177.064 177.300 0.153 0.000 1.352 276 P CA -0.194 62.961 63.100 0.092 0.000 0.891 276 P CB -0.032 31.710 31.700 0.070 0.000 1.383 277 W N 4.170 125.467 121.300 -0.005 0.000 2.308 277 W HA 0.206 4.865 4.660 -0.002 0.000 0.324 277 W C -2.196 174.327 176.519 0.006 0.000 1.387 277 W CA -1.915 55.432 57.345 0.003 0.000 1.250 277 W CB 0.015 29.479 29.460 0.006 0.000 1.257 277 W HN 0.002 nan 8.180 nan 0.000 0.554 278 P HA 0.156 nan 4.420 nan 0.000 0.275 278 P C -0.774 176.256 177.300 -0.451 0.000 1.227 278 P CA 0.115 63.029 63.100 -0.311 0.000 0.781 278 P CB 0.811 32.358 31.700 -0.255 0.000 0.906 279 L N 2.208 123.314 121.223 -0.194 0.000 2.322 279 L HA 0.589 4.929 4.340 -0.001 0.000 0.269 279 L C 0.145 177.101 176.870 0.143 0.000 1.012 279 L CA -1.167 53.641 54.840 -0.053 0.000 0.815 279 L CB 1.753 43.867 42.059 0.092 0.000 1.295 279 L HN 0.273 nan 8.230 nan 0.000 0.438 280 L N 2.539 123.829 121.223 0.112 0.000 2.341 280 L HA 0.526 4.866 4.340 -0.001 0.000 0.278 280 L C -1.210 175.620 176.870 -0.066 0.000 1.005 280 L CA -0.738 54.116 54.840 0.023 0.000 0.818 280 L CB 1.962 43.968 42.059 -0.089 0.000 1.259 280 L HN 0.434 nan 8.230 nan 0.000 0.418 281 L N 4.937 125.950 121.223 -0.350 0.000 2.282 281 L HA 0.456 4.795 4.340 -0.001 0.000 0.288 281 L C -0.590 176.012 176.870 -0.447 0.000 1.033 281 L CA 0.045 54.521 54.840 -0.607 0.000 0.807 281 L CB 1.131 42.457 42.059 -1.222 0.000 1.209 281 L HN 0.685 nan 8.230 nan 0.000 0.423 282 N N 2.878 121.370 118.700 -0.347 0.000 2.500 282 N HA 0.182 4.921 4.740 -0.001 0.000 0.236 282 N C -0.971 174.369 175.510 -0.282 0.000 1.022 282 N CA 0.052 52.897 53.050 -0.342 0.000 0.935 282 N CB 0.773 39.088 38.487 -0.287 0.000 1.147 282 N HN 0.604 nan 8.380 nan 0.000 0.512 283 S N 2.984 118.430 115.700 -0.423 0.000 2.474 283 S HA 0.323 4.793 4.470 -0.001 0.000 0.276 283 S C -0.482 174.018 174.600 -0.167 0.000 1.227 283 S CA -0.546 57.450 58.200 -0.339 0.000 1.050 283 S CB 0.065 62.882 63.200 -0.640 0.000 0.939 283 S HN 0.295 nan 8.310 nan 0.000 0.490 284 V N 5.751 125.592 119.914 -0.122 0.000 2.313 284 V HA 0.292 4.411 4.120 -0.001 0.000 0.278 284 V C 0.134 176.137 176.094 -0.151 0.000 1.017 284 V CA -0.841 61.360 62.300 -0.165 0.000 0.823 284 V CB 0.992 32.445 31.823 -0.618 0.000 1.010 284 V HN 0.920 nan 8.190 nan 0.000 0.443 285 E N 5.584 125.772 120.200 -0.019 0.000 2.415 285 E HA 0.037 4.386 4.350 -0.001 0.000 0.260 285 E C 0.777 177.290 176.600 -0.145 0.000 1.016 285 E CA 0.634 57.029 56.400 -0.008 0.000 0.924 285 E CB -0.014 29.753 29.700 0.111 0.000 0.961 285 E HN 0.589 nan 8.360 nan 0.000 0.459 286 N N 2.117 120.749 118.700 -0.113 0.000 2.782 286 N HA -0.154 4.585 4.740 -0.001 0.000 0.251 286 N C 0.071 175.437 175.510 -0.239 0.000 1.101 286 N CA 1.165 54.124 53.050 -0.151 0.000 0.764 286 N CB -1.595 36.814 38.487 -0.129 0.000 1.122 286 N HN 0.558 nan 8.380 nan 0.000 0.561 287 G N -1.344 107.312 108.800 -0.239 0.000 2.630 287 G HA2 0.322 4.281 3.960 -0.001 0.000 0.223 287 G HA3 0.322 4.281 3.960 -0.001 0.000 0.223 287 G C 0.335 175.172 174.900 -0.106 0.000 1.434 287 G CA -0.264 44.714 45.100 -0.204 0.000 1.057 287 G HN 0.436 nan 8.290 nan 0.000 0.570 288 H N -0.454 118.834 119.070 0.364 0.000 2.487 288 H HA 0.369 4.925 4.556 0.001 0.000 0.290 288 H C 0.004 175.374 175.328 0.071 0.000 1.081 288 H CA -0.032 56.102 56.048 0.143 0.000 1.116 288 H CB 0.395 30.185 29.762 0.045 0.000 1.560 288 H HN 0.100 nan 8.280 nan 0.000 0.548 289 S N 1.364 117.203 115.700 0.232 0.000 2.607 289 S HA 0.393 4.862 4.470 -0.001 0.000 0.303 289 S C -2.291 172.373 174.600 0.108 0.000 1.086 289 S CA -1.216 57.080 58.200 0.160 0.000 0.995 289 S CB 2.202 65.538 63.200 0.227 0.000 1.084 289 S HN 0.106 nan 8.310 nan 0.000 0.507 290 P HA 0.115 nan 4.420 nan 0.000 0.267 290 P C -0.863 176.463 177.300 0.044 0.000 1.200 290 P CA -0.547 62.586 63.100 0.056 0.000 0.772 290 P CB 0.226 31.957 31.700 0.052 0.000 0.855 291 L N 4.541 125.783 121.223 0.032 0.000 2.407 291 L HA 0.240 4.580 4.340 -0.001 0.000 0.282 291 L C -0.618 176.272 176.870 0.034 0.000 1.110 291 L CA 0.299 55.159 54.840 0.034 0.000 0.863 291 L CB -1.126 40.953 42.059 0.033 0.000 1.207 291 L HN 0.220 nan 8.230 nan 0.000 0.454 292 I N 4.538 125.124 120.570 0.026 0.000 2.377 292 I HA 0.312 4.482 4.170 -0.001 0.000 0.293 292 I C 0.726 176.878 176.117 0.059 0.000 0.987 292 I CA -0.599 60.715 61.300 0.023 0.000 1.185 292 I CB 1.717 39.705 38.000 -0.020 0.000 1.341 292 I HN 0.655 nan 8.210 nan 0.000 0.455 293 T N 2.073 116.672 114.554 0.074 0.000 2.847 293 T HA 0.241 4.590 4.350 -0.001 0.000 0.279 293 T C 1.221 176.001 174.700 0.132 0.000 0.984 293 T CA -0.738 61.429 62.100 0.113 0.000 0.988 293 T CB 1.707 70.624 68.868 0.082 0.000 1.040 293 T HN 0.262 nan 8.240 nan 0.000 0.528 294 V N 1.370 121.389 119.914 0.176 0.000 2.332 294 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 294 V C 2.803 178.968 176.094 0.119 0.000 1.055 294 V CA 2.210 64.618 62.300 0.181 0.000 1.038 294 V CB -0.963 30.964 31.823 0.174 0.000 0.651 294 V HN 0.954 nan 8.190 nan 0.000 0.450 295 E N -0.504 119.750 120.200 0.090 0.000 2.106 295 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 295 E C 2.259 178.901 176.600 0.070 0.000 0.984 295 E CA 1.150 57.593 56.400 0.070 0.000 0.806 295 E CB -0.097 29.634 29.700 0.052 0.000 0.750 295 E HN 0.673 nan 8.360 nan 0.000 0.458 296 E N 0.591 120.833 120.200 0.069 0.000 2.051 296 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 296 E C 2.105 178.764 176.600 0.099 0.000 0.991 296 E CA 0.937 57.377 56.400 0.067 0.000 0.799 296 E CB -0.112 29.620 29.700 0.054 0.000 0.748 296 E HN 0.222 nan 8.360 nan 0.000 0.449 297 A N 1.651 124.540 122.820 0.115 0.000 1.902 297 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 297 A C 2.061 179.785 177.584 0.233 0.000 1.181 297 A CA 1.889 54.043 52.037 0.195 0.000 0.623 297 A CB -0.421 18.621 19.000 0.070 0.000 0.818 297 A HN 0.100 nan 8.150 nan 0.000 0.443 298 K N -0.238 120.250 120.400 0.146 0.000 2.026 298 K HA -0.063 4.256 4.320 -0.001 0.000 0.208 298 K C 2.053 178.702 176.600 0.082 0.000 1.048 298 K CA 1.399 57.754 56.287 0.115 0.000 0.929 298 K CB -0.380 32.172 32.500 0.086 0.000 0.713 298 K HN 0.331 nan 8.250 nan 0.000 0.439 299 A N 0.736 123.598 122.820 0.069 0.000 2.019 299 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 299 A C 2.040 179.637 177.584 0.021 0.000 1.164 299 A CA 1.558 53.618 52.037 0.039 0.000 0.644 299 A CB -0.452 18.568 19.000 0.033 0.000 0.805 299 A HN 0.403 nan 8.150 nan 0.000 0.449 300 M N -1.831 117.795 119.600 0.045 0.000 2.476 300 M HA 0.087 4.566 4.480 -0.001 0.000 0.262 300 M C 1.467 177.684 176.300 -0.139 0.000 1.079 300 M CA 1.092 56.378 55.300 -0.024 0.000 1.104 300 M CB 0.122 32.758 32.600 0.060 0.000 1.409 300 M HN 0.658 nan 8.290 nan 0.000 0.467 301 G N -0.144 108.614 108.800 -0.071 0.000 2.163 301 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.213 301 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.213 301 G C -0.058 174.756 174.900 -0.144 0.000 0.991 301 G CA -0.725 44.308 45.100 -0.112 0.000 0.653 301 G HN 0.289 nan 8.290 nan 0.000 0.518 302 F N 0.494 120.436 119.950 -0.013 0.000 2.553 302 F HA 0.469 4.995 4.527 -0.002 0.000 0.356 302 F C 1.866 177.654 175.800 -0.019 0.000 1.142 302 F CA 0.055 58.044 58.000 -0.018 0.000 1.322 302 F CB 0.644 39.635 39.000 -0.015 0.000 1.126 302 F HN -0.108 nan 8.300 nan 0.000 0.599 303 R N 1.684 122.280 120.500 0.160 0.000 2.279 303 R HA 0.376 4.715 4.340 -0.001 0.000 0.195 303 R C -0.151 176.191 176.300 0.070 0.000 0.905 303 R CA 0.399 56.543 56.100 0.073 0.000 1.044 303 R CB 0.166 30.469 30.300 0.005 0.000 1.056 303 R HN 0.505 nan 8.270 nan 0.000 0.535 304 I N 0.464 121.078 120.570 0.074 0.000 2.647 304 I HA 0.414 4.583 4.170 -0.001 0.000 0.295 304 I C -0.746 175.358 176.117 -0.021 0.000 1.078 304 I CA -0.788 60.530 61.300 0.029 0.000 1.048 304 I CB 2.635 40.628 38.000 -0.011 0.000 1.239 304 I HN -0.188 nan 8.210 nan 0.000 0.421 305 M N 7.345 126.925 119.600 -0.033 0.000 2.213 305 M HA 0.583 5.062 4.480 -0.001 0.000 0.286 305 M C -1.597 174.602 176.300 -0.168 0.000 1.008 305 M CA -0.564 54.631 55.300 -0.176 0.000 0.937 305 M CB 1.981 34.503 32.600 -0.130 0.000 1.600 305 M HN 0.597 nan 8.290 nan 0.000 0.450 306 I N 0.420 120.771 120.570 -0.365 0.000 2.525 306 I HA 0.583 4.753 4.170 -0.001 0.000 0.301 306 I C -1.738 174.102 176.117 -0.461 0.000 0.992 306 I CA -0.611 60.507 61.300 -0.302 0.000 1.162 306 I CB 1.742 39.384 38.000 -0.597 0.000 1.332 306 I HN 0.696 nan 8.210 nan 0.000 0.458 307 F N 3.571 123.486 119.950 -0.058 0.000 2.453 307 F HA 0.346 4.873 4.527 0.000 0.000 0.358 307 F C 1.421 177.279 175.800 0.097 0.000 1.129 307 F CA -0.355 57.650 58.000 0.008 0.000 1.200 307 F CB 1.429 40.431 39.000 0.003 0.000 1.431 307 F HN 0.574 nan 8.300 nan 0.000 0.503 308 S N 1.162 116.981 115.700 0.198 0.000 2.387 308 S HA -0.190 4.280 4.470 -0.001 0.000 0.230 308 S C 1.254 175.906 174.600 0.086 0.000 1.035 308 S CA 1.547 59.907 58.200 0.266 0.000 1.014 308 S CB -0.196 63.166 63.200 0.271 0.000 0.836 308 S HN 0.519 nan 8.310 nan 0.000 0.466 309 F N 0.326 120.341 119.950 0.109 0.000 2.647 309 F HA 0.441 4.967 4.527 -0.002 0.000 0.300 309 F C 1.693 177.548 175.800 0.092 0.000 1.106 309 F CA -0.286 57.756 58.000 0.069 0.000 1.313 309 F CB -0.017 38.987 39.000 0.008 0.000 1.007 309 F HN 0.105 nan 8.300 nan 0.000 0.536 310 A N 0.061 123.024 122.820 0.239 0.000 2.019 310 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 310 A C 2.231 179.888 177.584 0.121 0.000 1.164 310 A CA 2.427 54.563 52.037 0.165 0.000 0.644 310 A CB -0.800 18.265 19.000 0.109 0.000 0.805 310 A HN 0.405 nan 8.150 nan 0.000 0.449 311 T N -4.328 110.316 114.554 0.150 0.000 3.026 311 T HA 0.153 4.502 4.350 -0.001 0.000 0.245 311 T C 1.669 176.532 174.700 0.272 0.000 1.004 311 T CA 0.638 62.858 62.100 0.200 0.000 1.069 311 T CB -0.391 68.591 68.868 0.191 0.000 1.005 311 T HN 0.082 nan 8.240 nan 0.000 0.472 312 L N 2.175 123.482 121.223 0.141 0.000 2.017 312 L HA 0.274 4.613 4.340 -0.001 0.000 0.208 312 L C 2.881 179.792 176.870 0.067 0.000 1.073 312 L CA 1.983 56.740 54.840 -0.138 0.000 0.745 312 L CB -0.997 40.834 42.059 -0.380 0.000 0.894 312 L HN 0.395 nan 8.230 nan 0.000 0.432 313 A N 0.461 123.385 122.820 0.175 0.000 1.845 313 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 313 A C -0.029 177.664 177.584 0.182 0.000 1.195 313 A CA 1.943 54.101 52.037 0.201 0.000 0.616 313 A CB -2.196 16.922 19.000 0.196 0.000 0.832 313 A HN 0.483 nan 8.150 nan 0.000 0.443 314 P HA -0.067 nan 4.420 nan 0.000 0.221 314 P C 1.527 178.892 177.300 0.107 0.000 1.150 314 P CA 1.707 64.873 63.100 0.110 0.000 0.800 314 P CB -0.133 31.620 31.700 0.088 0.000 0.787 315 A N -0.220 122.685 122.820 0.141 0.000 1.877 315 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 315 A C 2.379 180.034 177.584 0.118 0.000 1.186 315 A CA 1.544 53.665 52.037 0.139 0.000 0.620 315 A CB -1.944 17.190 19.000 0.224 0.000 0.822 315 A HN 0.155 nan 8.150 nan 0.000 0.443 316 Y N 0.736 121.057 120.300 0.035 0.000 2.145 316 Y HA -0.112 4.438 4.550 0.000 0.000 0.286 316 Y C 2.637 178.552 175.900 0.026 0.000 1.145 316 Y CA 1.338 59.452 58.100 0.022 0.000 1.148 316 Y CB -0.673 37.795 38.460 0.013 0.000 0.981 316 Y HN 0.308 nan 8.280 nan 0.000 0.507 317 A N 0.686 123.471 122.820 -0.058 0.000 1.883 317 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 317 A C 2.448 179.932 177.584 -0.166 0.000 1.186 317 A CA 2.383 54.335 52.037 -0.141 0.000 0.624 317 A CB -1.590 17.417 19.000 0.012 0.000 0.822 317 A HN 0.655 nan 8.150 nan 0.000 0.444 318 A N -0.332 122.437 122.820 -0.084 0.000 1.873 318 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 318 A C 2.131 179.665 177.584 -0.085 0.000 1.186 318 A CA 1.401 53.401 52.037 -0.061 0.000 0.616 318 A CB -0.592 18.398 19.000 -0.015 0.000 0.823 318 A HN 0.480 nan 8.150 nan 0.000 0.442 319 I N -0.878 119.635 120.570 -0.095 0.000 2.163 319 I HA -0.276 3.893 4.170 -0.001 0.000 0.243 319 I C 2.740 178.768 176.117 -0.147 0.000 1.085 319 I CA 1.787 63.034 61.300 -0.088 0.000 1.347 319 I CB -0.291 37.683 38.000 -0.043 0.000 1.044 319 I HN 0.363 nan 8.210 nan 0.000 0.408 320 R N 1.196 121.513 120.500 -0.305 0.000 2.073 320 R HA -0.241 4.099 4.340 -0.001 0.000 0.234 320 R C 2.294 178.498 176.300 -0.161 0.000 1.134 320 R CA 2.070 57.988 56.100 -0.303 0.000 0.952 320 R CB -0.214 29.737 30.300 -0.582 0.000 0.850 320 R HN 0.555 nan 8.270 nan 0.000 0.433 321 E N -0.677 119.438 120.200 -0.142 0.000 2.106 321 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 321 E C 1.428 178.003 176.600 -0.041 0.000 0.984 321 E CA 1.736 58.092 56.400 -0.073 0.000 0.806 321 E CB -0.217 29.448 29.700 -0.059 0.000 0.750 321 E HN 0.179 nan 8.360 nan 0.000 0.458 322 T N 1.595 116.122 114.554 -0.045 0.000 2.708 322 T HA -0.080 4.270 4.350 -0.001 0.000 0.266 322 T C 1.851 176.543 174.700 -0.013 0.000 1.037 322 T CA 1.372 63.459 62.100 -0.022 0.000 1.146 322 T CB -0.192 68.663 68.868 -0.023 0.000 0.865 322 T HN 0.149 nan 8.240 nan 0.000 0.435 323 L N 0.712 121.920 121.223 -0.026 0.000 2.141 323 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 323 L C 2.617 179.481 176.870 -0.009 0.000 1.094 323 L CA 0.610 55.441 54.840 -0.015 0.000 0.763 323 L CB -0.603 41.445 42.059 -0.019 0.000 0.908 323 L HN 0.154 nan 8.230 nan 0.000 0.437 324 V N 0.031 119.936 119.914 -0.014 0.000 2.295 324 V HA -0.296 3.824 4.120 -0.001 0.000 0.246 324 V C 2.700 178.808 176.094 0.024 0.000 1.049 324 V CA 1.873 64.170 62.300 -0.004 0.000 1.024 324 V CB -0.598 31.221 31.823 -0.006 0.000 0.648 324 V HN 0.467 nan 8.190 nan 0.000 0.447 325 R N -0.284 120.247 120.500 0.052 0.000 2.091 325 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 325 R C 2.285 178.644 176.300 0.098 0.000 1.136 325 R CA 1.994 58.167 56.100 0.122 0.000 0.959 325 R CB -0.390 29.957 30.300 0.079 0.000 0.856 325 R HN 0.440 nan 8.270 nan 0.000 0.437 326 L N 1.284 122.534 121.223 0.045 0.000 2.017 326 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 326 L C 2.480 179.359 176.870 0.015 0.000 1.073 326 L CA 1.866 56.725 54.840 0.032 0.000 0.745 326 L CB -0.691 41.377 42.059 0.017 0.000 0.894 326 L HN 0.142 nan 8.230 nan 0.000 0.432 327 R N -0.740 119.758 120.500 -0.003 0.000 2.083 327 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 327 R C 1.714 177.976 176.300 -0.064 0.000 1.137 327 R CA 2.039 58.125 56.100 -0.025 0.000 0.951 327 R CB -0.235 30.050 30.300 -0.024 0.000 0.851 327 R HN 0.438 nan 8.270 nan 0.000 0.434 328 D N -1.373 118.960 120.400 -0.112 0.000 2.213 328 D HA -0.039 4.601 4.640 -0.001 0.000 0.205 328 D C 1.147 177.185 176.300 -0.437 0.000 0.961 328 D CA 1.035 54.856 54.000 -0.298 0.000 0.853 328 D CB 0.172 40.725 40.800 -0.412 0.000 0.967 328 D HN 0.399 nan 8.370 nan 0.000 0.496 329 H N -1.648 117.419 119.070 -0.004 0.000 3.360 329 H HA 0.294 4.849 4.556 -0.001 0.000 0.262 329 H C 1.181 176.507 175.328 -0.004 0.000 1.149 329 H CA 0.689 56.734 56.048 -0.004 0.000 1.181 329 H CB 1.399 31.157 29.762 -0.006 0.000 1.564 329 H HN 0.119 nan 8.280 nan 0.000 0.565 330 G N 1.768 110.617 108.800 0.082 0.000 2.153 330 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.252 330 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.252 330 G C 0.335 175.263 174.900 0.047 0.000 0.994 330 G CA 0.664 45.794 45.100 0.048 0.000 0.698 330 G HN 0.477 nan 8.290 nan 0.000 0.521 331 V N -3.929 116.020 119.914 0.059 0.000 3.049 331 V HA 0.800 4.919 4.120 -0.001 0.000 0.309 331 V C 0.941 177.053 176.094 0.030 0.000 1.148 331 V CA -0.297 62.023 62.300 0.035 0.000 0.990 331 V CB 1.623 33.461 31.823 0.025 0.000 1.039 331 V HN 0.299 nan 8.190 nan 0.000 0.430 332 V N 1.856 121.778 119.914 0.014 0.000 2.379 332 V HA 0.270 4.390 4.120 -0.001 0.000 0.243 332 V C 2.186 178.280 176.094 -0.000 0.000 1.035 332 V CA 2.030 64.334 62.300 0.007 0.000 1.035 332 V CB -0.702 31.121 31.823 0.001 0.000 0.673 332 V HN 2.009 nan 8.190 nan 0.000 0.457 333 G N 1.335 110.131 108.800 -0.006 0.000 2.221 333 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.265 333 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.265 333 G C 0.181 175.071 174.900 -0.016 0.000 1.041 333 G CA 0.471 45.563 45.100 -0.014 0.000 0.807 333 G HN 0.498 nan 8.290 nan 0.000 0.502 334 T N 1.599 116.144 114.554 -0.016 0.000 2.897 334 T HA 0.469 4.818 4.350 -0.001 0.000 0.294 334 T C -1.652 173.036 174.700 -0.021 0.000 1.004 334 T CA -0.634 61.454 62.100 -0.019 0.000 1.106 334 T CB 1.311 70.166 68.868 -0.021 0.000 0.949 334 T HN 0.140 nan 8.240 nan 0.000 0.520 335 P HA 0.057 nan 4.420 nan 0.000 0.261 335 P C 0.151 177.437 177.300 -0.023 0.000 1.173 335 P CA 0.062 63.150 63.100 -0.020 0.000 0.760 335 P CB 0.373 32.062 31.700 -0.018 0.000 0.783 336 D N 2.028 122.415 120.400 -0.021 0.000 2.350 336 D HA -0.046 4.593 4.640 -0.001 0.000 0.216 336 D C 2.047 178.331 176.300 -0.026 0.000 0.968 336 D CA 1.110 55.096 54.000 -0.023 0.000 0.894 336 D CB -0.365 40.425 40.800 -0.018 0.000 0.909 336 D HN 0.520 nan 8.370 nan 0.000 0.520 337 G N 0.043 108.828 108.800 -0.025 0.000 2.650 337 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.214 337 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.214 337 G C 0.713 175.591 174.900 -0.037 0.000 1.136 337 G CA -0.090 44.994 45.100 -0.027 0.000 0.789 337 G HN 0.186 nan 8.290 nan 0.000 0.536 338 I N 3.510 124.055 120.570 -0.041 0.000 2.206 338 I HA 0.155 4.325 4.170 -0.001 0.000 0.292 338 I C 0.848 176.919 176.117 -0.078 0.000 1.156 338 I CA -0.278 60.988 61.300 -0.056 0.000 1.356 338 I CB -1.147 36.824 38.000 -0.048 0.000 1.494 338 I HN -0.023 nan 8.210 nan 0.000 0.601 339 T N 2.011 116.510 114.554 -0.091 0.000 2.902 339 T HA 0.406 4.755 4.350 -0.001 0.000 0.280 339 T C -1.665 172.910 174.700 -0.209 0.000 0.992 339 T CA -1.669 60.364 62.100 -0.112 0.000 1.015 339 T CB 1.813 70.634 68.868 -0.080 0.000 1.044 339 T HN 0.085 nan 8.240 nan 0.000 0.520 340 P HA -0.102 nan 4.420 nan 0.000 0.215 340 P C 1.755 178.583 177.300 -0.786 0.000 1.157 340 P CA 0.599 63.359 63.100 -0.567 0.000 0.874 340 P CB -0.175 31.322 31.700 -0.337 0.000 0.790 341 V N -0.279 119.460 119.914 -0.291 0.000 2.407 341 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 341 V C 2.638 178.678 176.094 -0.089 0.000 1.055 341 V CA 1.839 64.099 62.300 -0.067 0.000 1.049 341 V CB -0.973 30.879 31.823 0.048 0.000 0.662 341 V HN 0.071 nan 8.190 nan 0.000 0.455 342 R N -0.197 120.230 120.500 -0.122 0.000 2.081 342 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 342 R C 2.264 178.503 176.300 -0.102 0.000 1.131 342 R CA 1.510 57.561 56.100 -0.081 0.000 0.960 342 R CB -0.265 29.993 30.300 -0.071 0.000 0.856 342 R HN 0.454 nan 8.270 nan 0.000 0.436 343 L N -0.130 120.964 121.223 -0.214 0.000 2.046 343 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 343 L C 2.166 178.996 176.870 -0.068 0.000 1.077 343 L CA 1.058 55.785 54.840 -0.190 0.000 0.747 343 L CB -0.455 41.429 42.059 -0.292 0.000 0.896 343 L HN 0.154 nan 8.230 nan 0.000 0.432 344 F N 0.454 120.395 119.950 -0.015 0.000 2.134 344 F HA -0.169 4.358 4.527 -0.001 0.000 0.299 344 F C 2.519 178.299 175.800 -0.033 0.000 1.097 344 F CA 0.866 58.852 58.000 -0.024 0.000 1.264 344 F CB -0.953 38.033 39.000 -0.023 0.000 1.001 344 F HN 0.108 nan 8.300 nan 0.000 0.479 345 E N 0.133 120.412 120.200 0.132 0.000 2.085 345 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 345 E C 2.390 179.012 176.600 0.037 0.000 0.994 345 E CA 1.531 57.967 56.400 0.059 0.000 0.801 345 E CB -0.417 29.300 29.700 0.028 0.000 0.743 345 E HN 0.152 nan 8.360 nan 0.000 0.453 346 V N 0.553 120.483 119.914 0.027 0.000 2.392 346 V HA -0.253 3.866 4.120 -0.001 0.000 0.249 346 V C 1.816 177.925 176.094 0.025 0.000 1.059 346 V CA 1.260 63.569 62.300 0.016 0.000 1.051 346 V CB -0.196 31.627 31.823 0.001 0.000 0.658 346 V HN 0.435 nan 8.190 nan 0.000 0.455 347 C N 0.955 120.286 119.300 0.052 0.000 2.480 347 C HA 0.561 5.021 4.460 -0.001 0.000 0.317 347 C C 1.660 176.672 174.990 0.037 0.000 1.300 347 C CA 0.092 59.141 59.018 0.051 0.000 1.706 347 C CB -1.316 26.476 27.740 0.087 0.000 1.840 347 C HN 0.853 nan 8.230 nan 0.000 0.596 348 G N 0.923 109.737 108.800 0.024 0.000 2.130 348 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 348 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 348 G C 0.607 175.489 174.900 -0.031 0.000 0.999 348 G CA 0.345 45.443 45.100 -0.002 0.000 0.686 348 G HN 0.431 nan 8.290 nan 0.000 0.515 349 L N 0.349 121.562 121.223 -0.017 0.000 2.013 349 L HA -0.060 4.280 4.340 -0.001 0.000 0.212 349 L C 2.783 179.577 176.870 -0.128 0.000 1.073 349 L CA 3.442 58.236 54.840 -0.077 0.000 0.753 349 L CB -0.511 41.548 42.059 -0.000 0.000 0.890 349 L HN 0.431 nan 8.230 nan 0.000 0.432 350 Q N -0.250 119.506 119.800 -0.074 0.000 2.061 350 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 350 Q C 1.917 177.866 176.000 -0.085 0.000 0.984 350 Q CA 2.264 58.021 55.803 -0.077 0.000 0.846 350 Q CB -0.581 28.133 28.738 -0.040 0.000 0.902 350 Q HN 0.589 nan 8.270 nan 0.000 0.421 351 D N -0.252 120.112 120.400 -0.061 0.000 2.126 351 D HA -0.212 4.427 4.640 -0.001 0.000 0.190 351 D C 1.647 177.902 176.300 -0.075 0.000 1.001 351 D CA 1.978 55.950 54.000 -0.048 0.000 0.841 351 D CB -0.577 40.209 40.800 -0.024 0.000 0.949 351 D HN 0.426 nan 8.370 nan 0.000 0.446 352 A N 0.293 123.042 122.820 -0.119 0.000 1.902 352 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 352 A C 2.304 179.747 177.584 -0.235 0.000 1.181 352 A CA 1.566 53.508 52.037 -0.159 0.000 0.623 352 A CB -0.563 18.313 19.000 -0.206 0.000 0.818 352 A HN 0.189 nan 8.150 nan 0.000 0.443 353 M N -0.947 118.439 119.600 -0.357 0.000 2.229 353 M HA -0.155 4.325 4.480 -0.001 0.000 0.264 353 M C 1.990 178.231 176.300 -0.098 0.000 1.063 353 M CA 1.536 56.601 55.300 -0.392 0.000 1.114 353 M CB -0.355 32.008 32.600 -0.396 0.000 1.387 353 M HN 0.493 nan 8.290 nan 0.000 0.420 354 E N -0.341 119.814 120.200 -0.075 0.000 2.106 354 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 354 E C 2.042 178.642 176.600 0.001 0.000 0.984 354 E CA 1.102 57.489 56.400 -0.022 0.000 0.806 354 E CB -0.038 29.647 29.700 -0.025 0.000 0.750 354 E HN 0.274 nan 8.360 nan 0.000 0.458 355 V N 1.964 121.874 119.914 -0.006 0.000 2.287 355 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 355 V C 2.239 178.361 176.094 0.046 0.000 1.053 355 V CA 2.139 64.449 62.300 0.017 0.000 1.027 355 V CB -0.455 31.376 31.823 0.013 0.000 0.646 355 V HN 0.381 nan 8.190 nan 0.000 0.447 356 D N -0.087 120.361 120.400 0.080 0.000 2.097 356 D HA -0.218 4.421 4.640 -0.001 0.000 0.195 356 D C 2.000 178.367 176.300 0.111 0.000 0.989 356 D CA 1.841 55.927 54.000 0.143 0.000 0.827 356 D CB -0.030 40.974 40.800 0.341 0.000 0.966 356 D HN 0.495 nan 8.370 nan 0.000 0.456 357 N N -0.057 118.707 118.700 0.107 0.000 2.120 357 N HA -0.103 4.637 4.740 -0.001 0.000 0.188 357 N C 1.979 177.517 175.510 0.046 0.000 1.024 357 N CA 2.158 55.254 53.050 0.077 0.000 0.852 357 N CB -0.587 37.940 38.487 0.068 0.000 1.003 357 N HN 0.163 nan 8.380 nan 0.000 0.424 358 G N -0.745 108.077 108.800 0.036 0.000 2.448 358 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.219 358 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.219 358 G C 1.317 176.232 174.900 0.025 0.000 1.127 358 G CA 0.730 45.844 45.100 0.024 0.000 0.766 358 G HN 0.482 nan 8.290 nan 0.000 0.552 359 A N -0.478 122.361 122.820 0.031 0.000 2.238 359 A HA 0.472 4.792 4.320 -0.001 0.000 0.208 359 A C 1.992 179.590 177.584 0.023 0.000 1.177 359 A CA 1.286 53.339 52.037 0.027 0.000 0.804 359 A CB -0.351 18.669 19.000 0.032 0.000 0.823 359 A HN 1.528 nan 8.150 nan 0.000 0.482 360 G N -1.961 106.854 108.800 0.025 0.000 2.157 360 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.239 360 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.239 360 G C 0.704 175.615 174.900 0.018 0.000 0.982 360 G CA 0.185 45.296 45.100 0.019 0.000 0.650 360 G HN 1.356 nan 8.290 nan 0.000 0.527 361 G N 0.006 108.822 108.800 0.028 0.000 2.569 361 G HA2 0.541 4.500 3.960 -0.001 0.000 0.249 361 G HA3 0.541 4.500 3.960 -0.001 0.000 0.249 361 G C 0.677 175.589 174.900 0.020 0.000 1.216 361 G CA 0.237 45.350 45.100 0.022 0.000 0.845 361 G HN 0.959 nan 8.290 nan 0.000 0.568 362 K N 0.372 120.765 120.400 -0.012 0.000 2.676 362 K HA 0.488 4.807 4.320 -0.001 0.000 0.205 362 K C 1.253 177.802 176.600 -0.086 0.000 1.084 362 K CA 0.174 56.447 56.287 -0.022 0.000 1.057 362 K CB 1.065 33.551 32.500 -0.023 0.000 0.791 362 K HN 0.335 nan 8.250 nan 0.000 0.484 363 A N 0.932 123.657 122.820 -0.158 0.000 1.968 363 A HA 0.175 4.494 4.320 -0.001 0.000 0.217 363 A C 0.254 177.447 177.584 -0.652 0.000 1.169 363 A CA 0.795 52.561 52.037 -0.451 0.000 0.638 363 A CB -0.285 18.338 19.000 -0.629 0.000 0.812 363 A HN 0.309 nan 8.150 nan 0.000 0.446 364 F N 0.000 119.946 119.950 -0.007 0.000 2.286 364 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 364 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 364 F CB 0.000 38.996 39.000 -0.007 0.000 1.145 364 F HN 0.000 nan 8.300 nan 0.000 0.574