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 3cjm_1_A DATA FIRST_RESID 59 DATA SEQUENCE SANTVFFDKI NDLLVASVKE FEGTVGISYL DLETGEQRSV NGQHEFYTAS DATA SEQUENCE TIKVPLTXLV ADTVASGQKK WTDLIPYNAE EDYEEGTGII AYNIQPEYPL DATA SEQUENCE KTLQEYAITY SDNIAKNXLY DTLGGDAKAK REXYQRYLHK TPSIEEPQFS DATA SEQUENCE SEDALVILQK LYTEKATKPD YQAIYDSXKQ SVFHERXETP TTQGKVAHKI DATA SEQUENCE GSYDEFIHDX GILETPHPFA LAIFTKGPDN AKSAAFIASV TDKLWQLQVS DATA SEQUENCE EYPNQ 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 59 S HA 0.000 nan 4.470 nan 0.000 0.327 59 S C 0.000 174.589 174.600 -0.018 0.000 1.055 59 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 59 S CB 0.000 63.196 63.200 -0.008 0.000 0.593 60 A N 1.774 124.568 122.820 -0.042 0.000 1.969 60 A HA -0.003 4.316 4.320 -0.002 0.000 0.218 60 A C 1.840 179.350 177.584 -0.123 0.000 1.169 60 A CA 2.256 54.243 52.037 -0.083 0.000 0.635 60 A CB -0.556 18.380 19.000 -0.107 0.000 0.810 60 A HN 0.518 nan 8.150 nan 0.000 0.445 61 N N 0.086 118.731 118.700 -0.091 0.000 2.106 61 N HA -0.128 4.611 4.740 -0.002 0.000 0.188 61 N C 2.036 177.559 175.510 0.022 0.000 1.029 61 N CA 2.306 55.304 53.050 -0.086 0.000 0.848 61 N CB -0.830 37.739 38.487 0.137 0.000 1.007 61 N HN 0.679 nan 8.380 nan 0.000 0.423 62 T N -1.426 113.184 114.554 0.092 0.000 2.788 62 T HA -0.064 4.285 4.350 -0.002 0.000 0.268 62 T C 2.107 176.823 174.700 0.028 0.000 1.044 62 T CA 1.137 63.306 62.100 0.115 0.000 1.139 62 T CB -0.852 68.060 68.868 0.073 0.000 0.867 62 T HN -0.082 nan 8.240 nan 0.000 0.454 63 V N 1.023 120.923 119.914 -0.023 0.000 2.287 63 V HA -0.086 4.033 4.120 -0.002 0.000 0.248 63 V C 2.191 178.227 176.094 -0.097 0.000 1.053 63 V CA 2.095 64.366 62.300 -0.050 0.000 1.027 63 V CB -0.955 30.840 31.823 -0.046 0.000 0.646 63 V HN 0.516 nan 8.190 nan 0.000 0.447 64 F N 0.444 120.195 119.950 -0.331 0.000 2.113 64 F HA -0.153 4.373 4.527 -0.002 0.000 0.297 64 F C 2.022 177.546 175.800 -0.460 0.000 1.103 64 F CA 1.632 59.342 58.000 -0.484 0.000 1.248 64 F CB -0.473 38.062 39.000 -0.775 0.000 0.999 64 F HN 0.152 nan 8.300 nan 0.000 0.475 65 F N 0.919 120.737 119.950 -0.220 0.000 2.293 65 F HA -0.127 4.398 4.527 -0.003 0.000 0.300 65 F C 2.258 177.890 175.800 -0.279 0.000 1.086 65 F CA 1.207 59.028 58.000 -0.299 0.000 1.375 65 F CB -1.154 37.807 39.000 -0.064 0.000 1.045 65 F HN 0.001 nan 8.300 nan 0.000 0.516 66 D N 0.092 120.453 120.400 -0.065 0.000 2.178 66 D HA -0.151 4.488 4.640 -0.002 0.000 0.202 66 D C 2.202 178.411 176.300 -0.153 0.000 0.974 66 D CA 0.978 54.933 54.000 -0.076 0.000 0.841 66 D CB -0.256 40.517 40.800 -0.045 0.000 0.953 66 D HN 0.239 nan 8.370 nan 0.000 0.478 67 K N 0.365 120.616 120.400 -0.249 0.000 2.103 67 K HA -0.065 4.254 4.320 -0.002 0.000 0.204 67 K C 2.005 178.400 176.600 -0.341 0.000 1.052 67 K CA 0.501 56.627 56.287 -0.270 0.000 0.945 67 K CB 0.126 32.457 32.500 -0.281 0.000 0.722 67 K HN -0.026 nan 8.250 nan 0.000 0.443 68 I N 1.916 122.178 120.570 -0.513 0.000 2.179 68 I HA -0.278 3.891 4.170 -0.002 0.000 0.242 68 I C 2.186 178.124 176.117 -0.298 0.000 1.088 68 I CA 1.485 62.468 61.300 -0.528 0.000 1.357 68 I CB -1.397 36.127 38.000 -0.794 0.000 1.051 68 I HN 0.359 nan 8.210 nan 0.000 0.409 69 N N 1.322 119.899 118.700 -0.205 0.000 2.104 69 N HA -0.222 4.517 4.740 -0.002 0.000 0.190 69 N C 1.449 176.911 175.510 -0.079 0.000 1.024 69 N CA 1.777 54.765 53.050 -0.102 0.000 0.853 69 N CB -0.047 38.407 38.487 -0.053 0.000 1.008 69 N HN 0.203 nan 8.380 nan 0.000 0.424 70 D N -0.113 120.231 120.400 -0.094 0.000 2.123 70 D HA -0.151 4.488 4.640 -0.002 0.000 0.196 70 D C 1.918 178.185 176.300 -0.056 0.000 0.992 70 D CA 0.673 54.634 54.000 -0.064 0.000 0.833 70 D CB -0.417 40.340 40.800 -0.071 0.000 0.954 70 D HN 0.314 nan 8.370 nan 0.000 0.455 71 L N 0.640 121.808 121.223 -0.092 0.000 2.046 71 L HA -0.098 4.241 4.340 -0.002 0.000 0.208 71 L C 2.147 178.993 176.870 -0.040 0.000 1.077 71 L CA 1.373 56.167 54.840 -0.077 0.000 0.747 71 L CB -0.564 41.421 42.059 -0.122 0.000 0.896 71 L HN 0.002 nan 8.230 nan 0.000 0.432 72 L N -1.657 119.539 121.223 -0.044 0.000 2.017 72 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 72 L C 2.462 179.366 176.870 0.058 0.000 1.073 72 L CA 1.111 55.959 54.840 0.013 0.000 0.745 72 L CB -0.764 41.305 42.059 0.017 0.000 0.894 72 L HN 0.125 nan 8.230 nan 0.000 0.432 73 V N 0.230 120.166 119.914 0.036 0.000 2.343 73 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 73 V C 2.770 178.903 176.094 0.066 0.000 1.051 73 V CA 1.830 64.161 62.300 0.052 0.000 1.036 73 V CB -0.838 31.002 31.823 0.029 0.000 0.654 73 V HN 0.476 nan 8.190 nan 0.000 0.451 74 A N -0.639 122.210 122.820 0.048 0.000 1.933 74 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 74 A C 2.484 180.130 177.584 0.104 0.000 1.175 74 A CA 2.180 54.252 52.037 0.057 0.000 0.628 74 A CB -0.597 18.421 19.000 0.029 0.000 0.814 74 A HN 0.503 nan 8.150 nan 0.000 0.444 75 S N -0.405 115.366 115.700 0.119 0.000 2.355 75 S HA -0.141 4.328 4.470 -0.002 0.000 0.222 75 S C 2.049 176.888 174.600 0.399 0.000 1.031 75 S CA 1.604 59.929 58.200 0.208 0.000 0.993 75 S CB -0.693 62.561 63.200 0.089 0.000 0.859 75 S HN 0.878 nan 8.310 nan 0.000 0.453 76 V N 0.505 120.610 119.914 0.318 0.000 2.626 76 V HA -0.028 4.091 4.120 -0.002 0.000 0.252 76 V C 1.800 178.017 176.094 0.205 0.000 1.067 76 V CA 1.412 63.881 62.300 0.281 0.000 1.081 76 V CB -0.715 31.228 31.823 0.199 0.000 0.686 76 V HN 0.301 nan 8.190 nan 0.000 0.468 77 K N 0.381 120.881 120.400 0.167 0.000 2.209 77 K HA -0.115 4.204 4.320 -0.002 0.000 0.204 77 K C 2.223 178.895 176.600 0.119 0.000 1.048 77 K CA 1.652 58.008 56.287 0.115 0.000 0.940 77 K CB -0.100 32.453 32.500 0.087 0.000 0.729 77 K HN 0.626 nan 8.250 nan 0.000 0.451 78 E N -0.246 120.065 120.200 0.184 0.000 2.371 78 E HA -0.021 4.328 4.350 -0.002 0.000 0.194 78 E C -0.042 176.659 176.600 0.169 0.000 1.012 78 E CA 0.035 56.544 56.400 0.182 0.000 0.860 78 E CB -0.127 29.721 29.700 0.246 0.000 0.811 78 E HN 0.201 nan 8.360 nan 0.000 0.502 79 F N 2.169 122.094 119.950 -0.043 0.000 2.420 79 F HA 0.241 4.767 4.527 -0.002 0.000 0.352 79 F C 0.010 175.719 175.800 -0.150 0.000 1.108 79 F CA -1.019 56.837 58.000 -0.240 0.000 1.162 79 F CB 1.104 39.690 39.000 -0.690 0.000 1.118 79 F HN -0.250 nan 8.300 nan 0.000 0.510 80 E N 4.252 123.943 120.200 -0.849 0.000 1.963 80 E HA 0.585 4.934 4.350 -0.002 0.000 0.274 80 E C 0.470 176.493 176.600 -0.962 0.000 1.061 80 E CA 0.189 56.199 56.400 -0.650 0.000 0.847 80 E CB 0.321 29.781 29.700 -0.400 0.000 1.083 80 E HN 1.167 nan 8.360 nan 0.000 0.402 81 G N 1.486 109.946 108.800 -0.566 0.000 2.340 81 G HA2 0.070 4.029 3.960 -0.002 0.000 0.282 81 G HA3 0.070 4.029 3.960 -0.002 0.000 0.282 81 G C -0.524 174.431 174.900 0.091 0.000 1.312 81 G CA -0.618 44.316 45.100 -0.277 0.000 0.942 81 G HN 0.512 nan 8.290 nan 0.000 0.495 82 T N -0.075 114.638 114.554 0.264 0.000 2.794 82 T HA 0.678 5.027 4.350 -0.002 0.000 0.280 82 T C -0.730 174.215 174.700 0.407 0.000 0.987 82 T CA -0.099 62.148 62.100 0.245 0.000 0.993 82 T CB 1.575 70.486 68.868 0.071 0.000 0.939 82 T HN 1.581 nan 8.240 nan 0.000 0.449 83 V N 2.191 122.280 119.914 0.291 0.000 2.888 83 V HA 0.909 5.028 4.120 -0.002 0.000 0.309 83 V C -0.537 175.731 176.094 0.291 0.000 1.114 83 V CA -0.332 62.071 62.300 0.171 0.000 0.940 83 V CB 2.064 33.745 31.823 -0.238 0.000 1.021 83 V HN 1.013 nan 8.190 nan 0.000 0.426 84 G N 5.854 114.853 108.800 0.331 0.000 2.513 84 G HA2 0.753 4.712 3.960 -0.002 0.000 0.317 84 G HA3 0.753 4.712 3.960 -0.002 0.000 0.317 84 G C -1.342 173.699 174.900 0.236 0.000 1.277 84 G CA -0.604 44.694 45.100 0.330 0.000 0.955 84 G HN 0.792 nan 8.290 nan 0.000 0.484 85 I N 0.989 121.683 120.570 0.206 0.000 2.533 85 I HA 0.444 4.613 4.170 -0.002 0.000 0.290 85 I C -0.373 175.849 176.117 0.175 0.000 1.056 85 I CA -0.670 60.746 61.300 0.194 0.000 1.057 85 I CB 2.549 40.658 38.000 0.181 0.000 1.240 85 I HN 0.314 nan 8.210 nan 0.000 0.423 86 S N 4.566 120.375 115.700 0.182 0.000 2.557 86 S HA 0.498 4.967 4.470 -0.002 0.000 0.291 86 S C -1.373 173.360 174.600 0.222 0.000 1.116 86 S CA -0.572 57.729 58.200 0.168 0.000 0.992 86 S CB 1.629 64.894 63.200 0.109 0.000 1.028 86 S HN 0.506 nan 8.310 nan 0.000 0.484 87 Y N 3.568 123.922 120.300 0.090 0.000 2.393 87 Y HA 0.775 5.323 4.550 -0.003 0.000 0.341 87 Y C -1.493 174.456 175.900 0.081 0.000 0.988 87 Y CA -1.220 56.955 58.100 0.125 0.000 1.078 87 Y CB 1.007 39.520 38.460 0.088 0.000 1.203 87 Y HN 0.560 nan 8.280 nan 0.000 0.453 88 L N 6.221 127.140 121.223 -0.506 0.000 2.406 88 L HA 0.432 4.771 4.340 -0.002 0.000 0.272 88 L C -1.652 174.851 176.870 -0.611 0.000 0.980 88 L CA -0.493 54.075 54.840 -0.454 0.000 0.831 88 L CB 1.621 43.560 42.059 -0.200 0.000 1.253 88 L HN 0.777 nan 8.230 nan 0.000 0.406 89 D N 3.791 123.908 120.400 -0.472 0.000 2.336 89 D HA 0.206 4.845 4.640 -0.002 0.000 0.249 89 D C 1.019 177.302 176.300 -0.029 0.000 1.213 89 D CA 0.127 54.079 54.000 -0.080 0.000 0.870 89 D CB 0.796 41.807 40.800 0.352 0.000 1.076 89 D HN 0.674 nan 8.370 nan 0.000 0.483 90 L N 2.901 124.090 121.223 -0.056 0.000 2.141 90 L HA -0.074 4.265 4.340 -0.002 0.000 0.209 90 L C 2.008 178.899 176.870 0.035 0.000 1.094 90 L CA 0.989 55.767 54.840 -0.104 0.000 0.763 90 L CB -0.194 41.635 42.059 -0.384 0.000 0.908 90 L HN 0.527 nan 8.230 nan 0.000 0.437 91 E N -0.707 119.552 120.200 0.099 0.000 2.208 91 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 91 E C 1.979 178.663 176.600 0.141 0.000 0.988 91 E CA 1.654 58.139 56.400 0.141 0.000 0.828 91 E CB 0.090 29.895 29.700 0.175 0.000 0.763 91 E HN 0.574 nan 8.360 nan 0.000 0.478 92 T N -4.216 110.431 114.554 0.155 0.000 2.990 92 T HA 0.270 4.619 4.350 -0.002 0.000 0.249 92 T C 1.641 176.363 174.700 0.036 0.000 1.039 92 T CA 0.411 62.584 62.100 0.121 0.000 1.036 92 T CB 0.797 69.779 68.868 0.190 0.000 0.994 92 T HN 0.227 nan 8.240 nan 0.000 0.489 93 G N 1.610 110.412 108.800 0.003 0.000 2.179 93 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.260 93 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.260 93 G C -0.147 174.684 174.900 -0.115 0.000 0.977 93 G CA 0.066 45.140 45.100 -0.043 0.000 0.641 93 G HN 0.598 nan 8.290 nan 0.000 0.533 94 E N 0.882 120.955 120.200 -0.212 0.000 2.338 94 E HA 0.401 4.750 4.350 -0.002 0.000 0.272 94 E C 0.535 176.923 176.600 -0.354 0.000 1.029 94 E CA 0.236 56.397 56.400 -0.399 0.000 0.872 94 E CB 0.853 30.048 29.700 -0.842 0.000 1.015 94 E HN 0.653 nan 8.360 nan 0.000 0.417 95 Q N 1.782 121.456 119.800 -0.210 0.000 2.387 95 Q HA 0.544 4.883 4.340 -0.002 0.000 0.273 95 Q C -0.407 175.608 176.000 0.024 0.000 1.089 95 Q CA -0.996 54.779 55.803 -0.046 0.000 0.824 95 Q CB 2.188 30.907 28.738 -0.031 0.000 1.367 95 Q HN 0.100 nan 8.270 nan 0.000 0.443 96 R N 0.704 121.300 120.500 0.161 0.000 2.564 96 R HA 0.597 4.936 4.340 -0.002 0.000 0.284 96 R C -1.389 174.984 176.300 0.122 0.000 1.031 96 R CA -0.481 55.681 56.100 0.103 0.000 0.904 96 R CB 2.261 32.591 30.300 0.051 0.000 1.199 96 R HN 0.610 nan 8.270 nan 0.000 0.443 97 S N 0.708 116.458 115.700 0.084 0.000 2.548 97 S HA 0.612 5.081 4.470 -0.002 0.000 0.286 97 S C -0.655 173.995 174.600 0.084 0.000 1.098 97 S CA -0.825 57.432 58.200 0.095 0.000 0.930 97 S CB 2.481 65.732 63.200 0.086 0.000 1.070 97 S HN 0.383 nan 8.310 nan 0.000 0.480 98 V N 0.899 120.875 119.914 0.104 0.000 2.444 98 V HA 0.695 4.814 4.120 -0.002 0.000 0.294 98 V C 0.062 176.234 176.094 0.131 0.000 1.022 98 V CA -0.838 61.525 62.300 0.104 0.000 0.850 98 V CB 0.926 32.811 31.823 0.104 0.000 0.992 98 V HN 0.926 nan 8.190 nan 0.000 0.426 99 N N 3.289 122.062 118.700 0.122 0.000 2.727 99 N HA -0.172 4.567 4.740 -0.002 0.000 0.249 99 N C 1.207 176.827 175.510 0.184 0.000 1.048 99 N CA 1.247 54.385 53.050 0.147 0.000 0.714 99 N CB -0.991 37.590 38.487 0.155 0.000 0.959 99 N HN 1.292 nan 8.380 nan 0.000 0.544 100 G N -1.391 107.494 108.800 0.141 0.000 2.776 100 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.209 100 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.209 100 G C 1.067 176.031 174.900 0.105 0.000 1.145 100 G CA 0.578 45.754 45.100 0.127 0.000 0.791 100 G HN 0.494 nan 8.290 nan 0.000 0.530 101 Q N -1.000 118.866 119.800 0.111 0.000 2.317 101 Q HA 0.178 4.517 4.340 -0.002 0.000 0.220 101 Q C 0.467 176.505 176.000 0.063 0.000 0.873 101 Q CA -0.338 55.508 55.803 0.072 0.000 0.936 101 Q CB 0.285 29.055 28.738 0.053 0.000 1.105 101 Q HN 0.669 nan 8.270 nan 0.000 0.520 102 H N 1.804 120.880 119.070 0.011 0.000 2.886 102 H HA 0.055 4.610 4.556 -0.002 0.000 0.329 102 H C -0.379 174.846 175.328 -0.172 0.000 1.044 102 H CA 0.247 56.232 56.048 -0.105 0.000 1.456 102 H CB 0.612 30.273 29.762 -0.169 0.000 1.464 102 H HN -0.107 nan 8.280 nan 0.000 0.573 103 E N 5.330 125.159 120.200 -0.619 0.000 2.200 103 E HA 0.133 4.482 4.350 -0.002 0.000 0.283 103 E C -0.855 175.536 176.600 -0.349 0.000 1.015 103 E CA -0.240 55.973 56.400 -0.310 0.000 0.819 103 E CB 0.873 30.459 29.700 -0.190 0.000 1.081 103 E HN 0.428 nan 8.360 nan 0.000 0.397 104 F N 1.346 121.362 119.950 0.109 0.000 2.522 104 F HA 0.170 4.696 4.527 -0.002 0.000 0.324 104 F C 0.261 176.097 175.800 0.059 0.000 1.077 104 F CA -1.316 56.855 58.000 0.286 0.000 0.944 104 F CB 0.802 40.090 39.000 0.480 0.000 1.175 104 F HN 0.340 nan 8.300 nan 0.000 0.468 105 Y N 2.014 122.204 120.300 -0.182 0.000 2.895 105 Y HA -0.057 4.492 4.550 -0.001 0.000 0.334 105 Y C 1.793 177.642 175.900 -0.085 0.000 1.261 105 Y CA 0.219 58.077 58.100 -0.404 0.000 1.560 105 Y CB 0.751 38.633 38.460 -0.963 0.000 1.253 105 Y HN 0.804 nan 8.280 nan 0.000 0.582 106 T N 4.117 118.245 114.554 -0.710 0.000 2.867 106 T HA 0.137 4.486 4.350 -0.002 0.000 0.268 106 T C 1.417 175.881 174.700 -0.394 0.000 1.057 106 T CA 0.768 62.594 62.100 -0.456 0.000 1.136 106 T CB -0.760 67.691 68.868 -0.695 0.000 0.874 106 T HN 1.505 nan 8.240 nan 0.000 0.466 107 A N 1.185 123.327 122.820 -1.129 0.000 5.798 107 A HA -0.257 4.062 4.320 -0.002 0.000 0.300 107 A C 1.822 179.270 177.584 -0.226 0.000 1.909 107 A CA 1.522 53.228 52.037 -0.552 0.000 0.724 107 A CB -1.809 17.113 19.000 -0.130 0.000 1.265 107 A HN 0.696 nan 8.150 nan 0.000 0.385 108 S N 0.233 115.880 115.700 -0.087 0.000 2.547 108 S HA 0.000 4.469 4.470 -0.002 0.000 0.235 108 S C 1.911 176.510 174.600 -0.003 0.000 0.980 108 S CA 1.786 59.958 58.200 -0.048 0.000 0.941 108 S CB -0.809 62.348 63.200 -0.071 0.000 0.763 108 S HN 1.555 nan 8.310 nan 0.000 0.532 109 T N 0.309 114.895 114.554 0.054 0.000 2.897 109 T HA -0.006 4.343 4.350 -0.002 0.000 0.271 109 T C 1.556 176.417 174.700 0.268 0.000 1.084 109 T CA 0.676 62.877 62.100 0.168 0.000 1.123 109 T CB -0.561 68.503 68.868 0.326 0.000 0.865 109 T HN 0.448 nan 8.240 nan 0.000 0.496 110 I N 0.516 121.214 120.570 0.213 0.000 2.700 110 I HA -0.101 4.068 4.170 -0.002 0.000 0.261 110 I C 2.249 178.452 176.117 0.145 0.000 1.219 110 I CA 1.045 62.487 61.300 0.237 0.000 1.463 110 I CB -0.114 37.935 38.000 0.082 0.000 1.092 110 I HN 0.227 nan 8.210 nan 0.000 0.452 111 K N -0.261 120.177 120.400 0.065 0.000 2.209 111 K HA -0.128 4.191 4.320 -0.002 0.000 0.204 111 K C 1.869 178.479 176.600 0.016 0.000 1.048 111 K CA 1.165 57.455 56.287 0.006 0.000 0.940 111 K CB -0.047 32.444 32.500 -0.016 0.000 0.729 111 K HN 0.238 nan 8.250 nan 0.000 0.451 112 V N 1.938 121.871 119.914 0.033 0.000 2.223 112 V HA -0.187 3.932 4.120 -0.002 0.000 0.244 112 V C -0.979 175.111 176.094 -0.006 0.000 1.045 112 V CA 1.832 64.126 62.300 -0.010 0.000 1.000 112 V CB -1.113 30.692 31.823 -0.030 0.000 0.635 112 V HN 0.256 nan 8.190 nan 0.000 0.445 113 P HA -0.132 nan 4.420 nan 0.000 0.220 113 P C 1.920 179.344 177.300 0.206 0.000 1.148 113 P CA 1.130 64.321 63.100 0.153 0.000 0.803 113 P CB -0.026 31.825 31.700 0.252 0.000 0.782 114 L N 0.663 121.963 121.223 0.129 0.000 1.989 114 L HA -0.060 4.279 4.340 -0.002 0.000 0.211 114 L C 1.391 178.303 176.870 0.070 0.000 1.071 114 L CA 2.008 56.892 54.840 0.074 0.000 0.749 114 L CB -1.877 40.142 42.059 -0.066 0.000 0.890 114 L HN 0.047 nan 8.230 nan 0.000 0.431 118 V N 1.197 121.209 119.914 0.164 0.000 2.295 118 V HA -0.212 3.907 4.120 -0.002 0.000 0.246 118 V C 2.714 178.884 176.094 0.127 0.000 1.049 118 V CA 2.161 64.537 62.300 0.126 0.000 1.024 118 V CB -1.175 30.751 31.823 0.171 0.000 0.648 118 V HN 0.530 nan 8.190 nan 0.000 0.447 119 A N -0.000 123.010 122.820 0.317 0.000 1.902 119 A HA -0.257 4.062 4.320 -0.002 0.000 0.217 119 A C 1.957 179.680 177.584 0.232 0.000 1.181 119 A CA 2.069 54.357 52.037 0.418 0.000 0.623 119 A CB -0.648 18.707 19.000 0.592 0.000 0.818 119 A HN 0.546 nan 8.150 nan 0.000 0.443 120 D N -0.576 119.973 120.400 0.249 0.000 2.144 120 D HA -0.082 4.557 4.640 -0.002 0.000 0.199 120 D C 1.946 178.281 176.300 0.059 0.000 0.984 120 D CA 1.778 55.880 54.000 0.170 0.000 0.834 120 D CB -0.621 40.314 40.800 0.226 0.000 0.955 120 D HN 0.419 nan 8.370 nan 0.000 0.465 121 T N 0.221 114.790 114.554 0.025 0.000 2.857 121 T HA -0.054 4.295 4.350 -0.002 0.000 0.266 121 T C 2.247 176.871 174.700 -0.125 0.000 1.048 121 T CA 0.467 62.544 62.100 -0.040 0.000 1.139 121 T CB -0.188 68.658 68.868 -0.036 0.000 0.874 121 T HN -0.022 nan 8.240 nan 0.000 0.455 122 V N 1.856 121.627 119.914 -0.239 0.000 2.343 122 V HA -0.158 3.961 4.120 -0.002 0.000 0.247 122 V C 2.905 178.880 176.094 -0.199 0.000 1.051 122 V CA 1.688 63.752 62.300 -0.393 0.000 1.036 122 V CB -1.163 30.103 31.823 -0.928 0.000 0.654 122 V HN 0.521 nan 8.190 nan 0.000 0.451 123 A N 0.613 123.379 122.820 -0.090 0.000 2.019 123 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 123 A C 2.468 180.030 177.584 -0.037 0.000 1.164 123 A CA 2.062 54.078 52.037 -0.035 0.000 0.644 123 A CB -0.641 18.361 19.000 0.003 0.000 0.805 123 A HN 0.703 nan 8.150 nan 0.000 0.449 124 S N -1.959 113.717 115.700 -0.040 0.000 2.515 124 S HA 0.314 4.783 4.470 -0.002 0.000 0.231 124 S C 1.533 176.109 174.600 -0.041 0.000 0.987 124 S CA 1.240 59.422 58.200 -0.030 0.000 0.936 124 S CB -0.338 62.849 63.200 -0.022 0.000 0.766 124 S HN 1.926 nan 8.310 nan 0.000 0.528 125 G N 0.538 109.299 108.800 -0.064 0.000 2.175 125 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.244 125 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.244 125 G C 0.856 175.715 174.900 -0.069 0.000 0.982 125 G CA 0.342 45.403 45.100 -0.064 0.000 0.641 125 G HN 0.442 nan 8.290 nan 0.000 0.527 126 Q N -0.360 119.396 119.800 -0.073 0.000 2.311 126 Q HA 0.122 4.461 4.340 -0.002 0.000 0.203 126 Q C 0.980 176.931 176.000 -0.082 0.000 0.954 126 Q CA 1.053 56.819 55.803 -0.063 0.000 0.885 126 Q CB 0.181 28.890 28.738 -0.048 0.000 0.963 126 Q HN 0.526 nan 8.270 nan 0.000 0.471 127 K N 0.184 120.505 120.400 -0.132 0.000 2.480 127 K HA 0.500 4.819 4.320 -0.002 0.000 0.258 127 K C -0.700 175.754 176.600 -0.244 0.000 0.990 127 K CA -0.514 55.673 56.287 -0.166 0.000 0.857 127 K CB 2.054 34.441 32.500 -0.190 0.000 1.384 127 K HN -0.175 nan 8.250 nan 0.000 0.446 128 K N 0.077 120.346 120.400 -0.217 0.000 2.375 128 K HA 0.304 4.623 4.320 -0.002 0.000 0.249 128 K C 0.398 176.893 176.600 -0.175 0.000 0.942 128 K CA -0.592 55.561 56.287 -0.223 0.000 0.806 128 K CB 1.598 34.053 32.500 -0.074 0.000 1.227 128 K HN 0.532 nan 8.250 nan 0.000 0.430 129 W N 0.648 121.961 121.300 0.021 0.000 2.364 129 W HA -0.185 4.474 4.660 -0.002 0.000 0.281 129 W C 1.977 178.506 176.519 0.017 0.000 1.219 129 W CA 1.247 58.603 57.345 0.019 0.000 1.220 129 W CB 0.034 29.505 29.460 0.019 0.000 1.127 129 W HN 0.672 nan 8.180 nan 0.000 0.556 130 T N -3.361 111.320 114.554 0.212 0.000 3.113 130 T HA -0.007 4.342 4.350 -0.002 0.000 0.256 130 T C 0.310 175.063 174.700 0.089 0.000 1.131 130 T CA 0.033 62.213 62.100 0.133 0.000 1.074 130 T CB -0.311 68.614 68.868 0.096 0.000 0.944 130 T HN -0.224 nan 8.240 nan 0.000 0.516 131 D N 1.883 122.326 120.400 0.072 0.000 2.455 131 D HA 0.196 4.835 4.640 -0.002 0.000 0.241 131 D C -0.039 176.301 176.300 0.066 0.000 1.138 131 D CA 0.027 54.055 54.000 0.047 0.000 0.877 131 D CB 0.661 41.472 40.800 0.019 0.000 1.187 131 D HN 0.358 nan 8.370 nan 0.000 0.451 132 L N 3.514 124.769 121.223 0.053 0.000 2.281 132 L HA 0.233 4.572 4.340 -0.002 0.000 0.285 132 L C 0.053 176.966 176.870 0.072 0.000 1.074 132 L CA -0.575 54.301 54.840 0.060 0.000 0.817 132 L CB 0.628 42.708 42.059 0.035 0.000 1.168 132 L HN 0.125 nan 8.230 nan 0.000 0.434 133 I N 5.837 126.472 120.570 0.109 0.000 2.321 133 I HA 0.343 4.512 4.170 -0.002 0.000 0.291 133 I C -2.027 174.184 176.117 0.157 0.000 0.998 133 I CA -2.573 58.800 61.300 0.122 0.000 1.227 133 I CB 1.177 39.259 38.000 0.138 0.000 1.368 133 I HN 0.313 nan 8.210 nan 0.000 0.466 134 P HA 0.121 nan 4.420 nan 0.000 0.284 134 P C -0.969 176.449 177.300 0.196 0.000 1.253 134 P CA -0.329 62.854 63.100 0.139 0.000 0.800 134 P CB 0.799 32.546 31.700 0.078 0.000 0.961 135 Y N 3.618 123.999 120.300 0.134 0.000 2.402 135 Y HA 0.233 4.782 4.550 -0.002 0.000 0.333 135 Y C 0.135 176.094 175.900 0.099 0.000 1.076 135 Y CA -0.179 58.009 58.100 0.148 0.000 1.299 135 Y CB 0.332 38.915 38.460 0.204 0.000 1.197 135 Y HN 0.281 nan 8.280 nan 0.000 0.517 136 N N 4.954 123.307 118.700 -0.578 0.000 2.511 136 N HA 0.263 5.002 4.740 -0.002 0.000 0.249 136 N C 0.190 175.254 175.510 -0.742 0.000 0.971 136 N CA 0.317 53.081 53.050 -0.477 0.000 0.938 136 N CB 1.450 39.813 38.487 -0.207 0.000 1.131 136 N HN 0.899 nan 8.380 nan 0.000 0.505 137 A N 3.344 125.798 122.820 -0.609 0.000 2.125 137 A HA -0.085 4.234 4.320 -0.002 0.000 0.219 137 A C 1.578 179.085 177.584 -0.127 0.000 1.156 137 A CA 1.196 53.041 52.037 -0.319 0.000 0.671 137 A CB -0.047 18.944 19.000 -0.015 0.000 0.794 137 A HN 0.792 nan 8.150 nan 0.000 0.459 138 E N -0.892 119.231 120.200 -0.127 0.000 2.166 138 E HA -0.048 4.301 4.350 -0.002 0.000 0.192 138 E C 1.256 177.839 176.600 -0.028 0.000 0.967 138 E CA 0.710 57.079 56.400 -0.051 0.000 0.840 138 E CB 0.022 29.695 29.700 -0.045 0.000 0.795 138 E HN 0.527 nan 8.360 nan 0.000 0.470 139 E N 0.322 120.484 120.200 -0.063 0.000 2.447 139 E HA 0.013 4.362 4.350 -0.002 0.000 0.204 139 E C 0.669 177.271 176.600 0.003 0.000 0.977 139 E CA 0.444 56.828 56.400 -0.025 0.000 0.950 139 E CB 0.501 30.182 29.700 -0.033 0.000 0.975 139 E HN 0.150 nan 8.360 nan 0.000 0.496 140 D N -0.601 119.784 120.400 -0.025 0.000 2.454 140 D HA -0.021 4.618 4.640 -0.002 0.000 0.214 140 D C 0.198 176.608 176.300 0.184 0.000 1.088 140 D CA -0.156 53.878 54.000 0.058 0.000 0.855 140 D CB 0.224 41.037 40.800 0.022 0.000 1.025 140 D HN 0.060 nan 8.370 nan 0.000 0.502 141 Y N 2.483 122.846 120.300 0.105 0.000 2.620 141 Y HA 0.180 4.729 4.550 -0.001 0.000 0.330 141 Y C 0.116 176.075 175.900 0.098 0.000 1.186 141 Y CA 0.300 58.504 58.100 0.173 0.000 1.467 141 Y CB 0.400 38.959 38.460 0.164 0.000 1.262 141 Y HN -0.217 nan 8.280 nan 0.000 0.550 142 E N 4.416 124.243 120.200 -0.622 0.000 2.381 142 E HA 0.225 4.574 4.350 -0.002 0.000 0.286 142 E C -1.183 175.070 176.600 -0.578 0.000 0.960 142 E CA -0.641 55.498 56.400 -0.434 0.000 0.793 142 E CB 1.254 30.871 29.700 -0.139 0.000 1.225 142 E HN 0.820 nan 8.360 nan 0.000 0.420 143 E N 1.238 121.228 120.200 -0.350 0.000 4.111 143 E HA 0.585 4.934 4.350 -0.002 0.000 0.312 143 E C 0.589 177.195 176.600 0.009 0.000 1.208 143 E CA -0.020 56.289 56.400 -0.153 0.000 1.785 143 E CB 0.271 29.985 29.700 0.023 0.000 1.660 143 E HN 0.769 nan 8.360 nan 0.000 0.734 144 G N 0.084 108.963 108.800 0.132 0.000 2.562 144 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.250 144 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.250 144 G C -0.002 175.006 174.900 0.181 0.000 1.269 144 G CA -0.105 45.069 45.100 0.123 0.000 0.919 144 G HN 0.687 nan 8.290 nan 0.000 0.574 145 T N -0.749 113.879 114.554 0.123 0.000 2.926 145 T HA 0.646 4.995 4.350 -0.002 0.000 0.307 145 T C 0.921 175.734 174.700 0.188 0.000 1.059 145 T CA 1.025 63.234 62.100 0.182 0.000 1.122 145 T CB 1.276 70.216 68.868 0.120 0.000 0.972 145 T HN 2.693 nan 8.240 nan 0.000 0.545 146 G N 1.136 110.076 108.800 0.233 0.000 2.359 146 G HA2 0.260 4.219 3.960 -0.002 0.000 0.314 146 G HA3 0.260 4.219 3.960 -0.002 0.000 0.314 146 G C -0.118 174.811 174.900 0.048 0.000 1.364 146 G CA -0.409 44.761 45.100 0.117 0.000 0.978 146 G HN 0.571 nan 8.290 nan 0.000 0.615 147 I N 0.216 120.667 120.570 -0.197 0.000 3.172 147 I HA 0.223 4.392 4.170 -0.002 0.000 0.278 147 I C 2.819 178.838 176.117 -0.163 0.000 1.174 147 I CA 0.442 61.564 61.300 -0.297 0.000 1.445 147 I CB -0.772 36.731 38.000 -0.828 0.000 1.175 147 I HN 0.562 nan 8.210 nan 0.000 0.447 148 I N 1.536 122.002 120.570 -0.173 0.000 2.179 148 I HA -0.260 3.909 4.170 -0.002 0.000 0.242 148 I C 2.704 178.680 176.117 -0.235 0.000 1.088 148 I CA 1.446 62.660 61.300 -0.145 0.000 1.357 148 I CB -0.402 37.459 38.000 -0.232 0.000 1.051 148 I HN 0.098 nan 8.210 nan 0.000 0.409 149 A N 0.132 122.679 122.820 -0.454 0.000 2.024 149 A HA -0.212 4.107 4.320 -0.002 0.000 0.220 149 A C 1.653 178.851 177.584 -0.644 0.000 1.164 149 A CA 1.652 53.295 52.037 -0.657 0.000 0.643 149 A CB -0.756 17.574 19.000 -1.117 0.000 0.806 149 A HN 0.558 nan 8.150 nan 0.000 0.451 150 Y N -1.904 118.395 120.300 -0.002 0.000 2.507 150 Y HA 0.325 4.874 4.550 -0.002 0.000 0.254 150 Y C 0.688 176.584 175.900 -0.006 0.000 1.171 150 Y CA -0.212 57.889 58.100 0.001 0.000 1.238 150 Y CB 0.144 38.588 38.460 -0.027 0.000 1.148 150 Y HN 0.396 nan 8.280 nan 0.000 0.525 151 N N 0.649 119.368 118.700 0.032 0.000 2.725 151 N HA 0.128 4.867 4.740 -0.002 0.000 0.225 151 N C -1.404 174.121 175.510 0.024 0.000 1.465 151 N CA -0.050 53.022 53.050 0.037 0.000 0.830 151 N CB -0.312 38.204 38.487 0.048 0.000 1.460 151 N HN 0.098 nan 8.380 nan 0.000 0.538 152 I N 1.354 121.903 120.570 -0.034 0.000 2.668 152 I HA -0.014 4.155 4.170 -0.002 0.000 0.285 152 I C 0.520 176.598 176.117 -0.064 0.000 1.168 152 I CA 0.353 61.589 61.300 -0.106 0.000 1.424 152 I CB 0.436 38.277 38.000 -0.266 0.000 1.377 152 I HN 0.217 nan 8.210 nan 0.000 0.560 153 Q N 8.378 128.156 119.800 -0.037 0.000 2.248 153 Q HA 0.360 4.699 4.340 -0.002 0.000 0.263 153 Q C -1.751 174.168 176.000 -0.135 0.000 1.007 153 Q CA -1.878 53.817 55.803 -0.180 0.000 0.877 153 Q CB 1.057 29.501 28.738 -0.490 0.000 1.315 153 Q HN 0.315 nan 8.270 nan 0.000 0.454 154 P HA -0.086 nan 4.420 nan 0.000 0.222 154 P C -0.324 177.009 177.300 0.055 0.000 1.153 154 P CA 1.148 64.273 63.100 0.042 0.000 0.798 154 P CB 0.573 32.282 31.700 0.016 0.000 0.796 155 E N -2.250 117.871 120.200 -0.131 0.000 2.430 155 E HA 0.447 4.796 4.350 -0.002 0.000 0.279 155 E C -1.552 174.827 176.600 -0.369 0.000 1.003 155 E CA -0.930 55.433 56.400 -0.063 0.000 0.801 155 E CB 0.977 30.673 29.700 -0.007 0.000 1.313 155 E HN -0.133 nan 8.360 nan 0.000 0.459 156 Y N -0.742 119.585 120.300 0.045 0.000 2.504 156 Y HA 0.383 4.932 4.550 -0.002 0.000 0.344 156 Y C -2.547 173.362 175.900 0.015 0.000 1.023 156 Y CA -2.229 55.878 58.100 0.011 0.000 1.020 156 Y CB 2.444 40.898 38.460 -0.011 0.000 1.282 156 Y HN 0.382 nan 8.280 nan 0.000 0.454 157 P HA -0.020 nan 4.420 nan 0.000 0.267 157 P C 0.695 178.083 177.300 0.148 0.000 1.200 157 P CA -0.100 63.073 63.100 0.122 0.000 0.772 157 P CB 0.867 32.621 31.700 0.089 0.000 0.855 158 L N 4.445 125.774 121.223 0.176 0.000 2.043 158 L HA -0.278 4.061 4.340 -0.002 0.000 0.212 158 L C 2.368 179.414 176.870 0.293 0.000 1.075 158 L CA 2.493 57.469 54.840 0.227 0.000 0.752 158 L CB -1.238 40.953 42.059 0.220 0.000 0.891 158 L HN 0.265 nan 8.230 nan 0.000 0.432 159 K N -2.881 117.711 120.400 0.319 0.000 2.152 159 K HA -0.093 4.226 4.320 -0.002 0.000 0.206 159 K C 1.903 178.465 176.600 -0.063 0.000 1.048 159 K CA 1.542 57.879 56.287 0.083 0.000 0.933 159 K CB -2.212 30.252 32.500 -0.060 0.000 0.721 159 K HN 0.590 nan 8.250 nan 0.000 0.447 160 T N 1.826 116.336 114.554 -0.074 0.000 2.777 160 T HA 0.100 4.449 4.350 -0.002 0.000 0.266 160 T C 1.877 176.321 174.700 -0.427 0.000 1.040 160 T CA 1.662 63.587 62.100 -0.292 0.000 1.141 160 T CB -0.464 68.241 68.868 -0.272 0.000 0.868 160 T HN 0.264 nan 8.240 nan 0.000 0.444 161 L N 0.844 121.944 121.223 -0.205 0.000 2.012 161 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 161 L C 2.883 179.735 176.870 -0.031 0.000 1.073 161 L CA 1.433 56.192 54.840 -0.134 0.000 0.748 161 L CB -0.646 41.394 42.059 -0.031 0.000 0.891 161 L HN 0.247 nan 8.230 nan 0.000 0.431 162 Q N 0.258 120.067 119.800 0.016 0.000 2.061 162 Q HA -0.232 4.107 4.340 -0.002 0.000 0.204 162 Q C 2.129 178.128 176.000 -0.001 0.000 0.984 162 Q CA 1.710 57.537 55.803 0.039 0.000 0.846 162 Q CB 0.005 28.774 28.738 0.052 0.000 0.902 162 Q HN 0.355 nan 8.270 nan 0.000 0.421 163 E N -0.763 119.419 120.200 -0.030 0.000 2.028 163 E HA -0.162 4.187 4.350 -0.002 0.000 0.191 163 E C 1.976 178.684 176.600 0.180 0.000 0.988 163 E CA 1.100 57.518 56.400 0.029 0.000 0.799 163 E CB -0.440 29.279 29.700 0.033 0.000 0.755 163 E HN 0.471 nan 8.360 nan 0.000 0.447 164 Y N 0.814 121.146 120.300 0.053 0.000 2.274 164 Y HA -0.050 4.499 4.550 -0.002 0.000 0.290 164 Y C 2.418 178.372 175.900 0.090 0.000 1.145 164 Y CA 0.366 58.559 58.100 0.155 0.000 1.203 164 Y CB -1.244 37.286 38.460 0.116 0.000 0.984 164 Y HN 0.001 nan 8.280 nan 0.000 0.533 165 A N -0.196 122.734 122.820 0.183 0.000 2.024 165 A HA -0.156 4.163 4.320 -0.002 0.000 0.220 165 A C 2.123 179.740 177.584 0.056 0.000 1.164 165 A CA 1.726 53.814 52.037 0.086 0.000 0.643 165 A CB -0.560 18.453 19.000 0.022 0.000 0.806 165 A HN 0.306 nan 8.150 nan 0.000 0.451 166 I N -1.653 118.937 120.570 0.034 0.000 2.685 166 I HA -0.046 4.123 4.170 -0.002 0.000 0.251 166 I C 2.352 178.435 176.117 -0.056 0.000 1.102 166 I CA 1.531 62.820 61.300 -0.018 0.000 1.442 166 I CB -1.811 36.160 38.000 -0.049 0.000 1.194 166 I HN 0.169 nan 8.210 nan 0.000 0.448 167 T N 0.846 115.312 114.554 -0.147 0.000 2.788 167 T HA -0.166 4.183 4.350 -0.002 0.000 0.268 167 T C 1.267 175.636 174.700 -0.550 0.000 1.044 167 T CA 1.686 63.534 62.100 -0.421 0.000 1.139 167 T CB -0.253 68.236 68.868 -0.631 0.000 0.867 167 T HN 0.224 nan 8.240 nan 0.000 0.454 168 Y N 0.113 120.415 120.300 0.002 0.000 2.612 168 Y HA 0.499 5.049 4.550 -0.001 0.000 0.250 168 Y C 1.262 177.313 175.900 0.250 0.000 1.175 168 Y CA -0.937 57.175 58.100 0.019 0.000 1.205 168 Y CB -0.043 38.343 38.460 -0.124 0.000 1.201 168 Y HN 0.007 nan 8.280 nan 0.000 0.532 169 S N 1.745 117.630 115.700 0.308 0.000 3.491 169 S HA -0.240 4.229 4.470 -0.002 0.000 0.371 169 S C -0.036 174.643 174.600 0.131 0.000 0.980 169 S CA 0.590 58.886 58.200 0.159 0.000 1.204 169 S CB -1.201 62.008 63.200 0.014 0.000 0.915 169 S HN 0.556 nan 8.310 nan 0.000 0.482 170 D N 1.026 121.516 120.400 0.150 0.000 2.346 170 D HA 0.136 4.775 4.640 -0.002 0.000 0.260 170 D C 1.331 177.657 176.300 0.042 0.000 1.252 170 D CA -0.214 53.850 54.000 0.106 0.000 0.895 170 D CB 0.330 41.213 40.800 0.138 0.000 1.097 170 D HN 0.419 nan 8.370 nan 0.000 0.489 171 N N 3.914 122.624 118.700 0.017 0.000 2.188 171 N HA -0.094 4.645 4.740 -0.002 0.000 0.184 171 N C 1.817 177.323 175.510 -0.007 0.000 1.018 171 N CA 0.620 53.670 53.050 0.001 0.000 0.858 171 N CB 0.138 38.620 38.487 -0.008 0.000 0.989 171 N HN 0.586 nan 8.380 nan 0.000 0.426 172 I N 1.152 121.701 120.570 -0.034 0.000 2.252 172 I HA -0.202 3.967 4.170 -0.002 0.000 0.245 172 I C 2.351 178.476 176.117 0.013 0.000 1.102 172 I CA 0.740 62.042 61.300 0.004 0.000 1.385 172 I CB -0.332 37.662 38.000 -0.010 0.000 1.064 172 I HN 0.037 nan 8.210 nan 0.000 0.414 173 A N 1.098 123.906 122.820 -0.019 0.000 1.883 173 A HA -0.279 4.040 4.320 -0.002 0.000 0.217 173 A C 2.432 180.000 177.584 -0.027 0.000 1.186 173 A CA 1.958 53.980 52.037 -0.025 0.000 0.624 173 A CB -0.605 18.408 19.000 0.022 0.000 0.822 173 A HN 0.308 nan 8.150 nan 0.000 0.444 174 K N 0.330 120.705 120.400 -0.042 0.000 2.074 174 K HA -0.173 4.146 4.320 -0.002 0.000 0.209 174 K C 0.252 176.777 176.600 -0.125 0.000 1.048 174 K CA 1.232 57.436 56.287 -0.138 0.000 0.926 174 K CB -0.576 31.858 32.500 -0.111 0.000 0.713 174 K HN 0.477 nan 8.250 nan 0.000 0.444 178 Y N 2.087 122.414 120.300 0.045 0.000 2.165 178 Y HA -0.238 4.311 4.550 -0.002 0.000 0.286 178 Y C 2.322 178.237 175.900 0.025 0.000 1.155 178 Y CA 1.821 59.941 58.100 0.034 0.000 1.164 178 Y CB -0.486 37.991 38.460 0.028 0.000 0.978 178 Y HN 0.241 nan 8.280 nan 0.000 0.513 179 D N -0.951 119.563 120.400 0.191 0.000 2.104 179 D HA -0.158 4.481 4.640 -0.002 0.000 0.194 179 D C 2.122 178.471 176.300 0.082 0.000 0.994 179 D CA 2.065 56.129 54.000 0.106 0.000 0.830 179 D CB -0.732 40.116 40.800 0.080 0.000 0.959 179 D HN 0.275 nan 8.370 nan 0.000 0.452 180 T N 0.813 115.416 114.554 0.081 0.000 2.803 180 T HA -0.069 4.280 4.350 -0.002 0.000 0.269 180 T C 1.869 176.598 174.700 0.049 0.000 1.052 180 T CA 0.583 62.716 62.100 0.055 0.000 1.136 180 T CB -0.104 68.794 68.868 0.050 0.000 0.864 180 T HN 0.160 nan 8.240 nan 0.000 0.467 181 L N 0.174 121.443 121.223 0.076 0.000 2.611 181 L HA 0.304 4.643 4.340 -0.002 0.000 0.229 181 L C 1.719 178.624 176.870 0.059 0.000 1.137 181 L CA 0.192 55.075 54.840 0.072 0.000 0.901 181 L CB -0.173 41.953 42.059 0.112 0.000 1.098 181 L HN 0.468 nan 8.230 nan 0.000 0.456 182 G N -0.205 108.626 108.800 0.051 0.000 2.131 182 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.223 182 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.223 182 G C 0.492 175.403 174.900 0.019 0.000 0.990 182 G CA -0.101 45.015 45.100 0.028 0.000 0.671 182 G HN 0.824 nan 8.290 nan 0.000 0.521 183 G N -0.488 108.335 108.800 0.038 0.000 2.570 183 G HA2 0.362 4.321 3.960 -0.002 0.000 0.686 183 G HA3 0.362 4.321 3.960 -0.002 0.000 0.686 183 G C 0.431 175.280 174.900 -0.086 0.000 1.257 183 G CA 0.506 45.601 45.100 -0.009 0.000 0.846 183 G HN 1.222 nan 8.290 nan 0.000 0.627 184 D N -0.191 120.038 120.400 -0.284 0.000 2.178 184 D HA 0.001 4.640 4.640 -0.002 0.000 0.202 184 D C 2.320 178.404 176.300 -0.360 0.000 0.974 184 D CA 1.981 55.559 54.000 -0.704 0.000 0.841 184 D CB -0.468 39.702 40.800 -1.050 0.000 0.953 184 D HN 1.108 nan 8.370 nan 0.000 0.478 185 A N 1.404 124.096 122.820 -0.213 0.000 1.873 185 A HA -0.186 4.133 4.320 -0.002 0.000 0.215 185 A C 2.291 179.820 177.584 -0.092 0.000 1.186 185 A CA 1.963 53.914 52.037 -0.143 0.000 0.616 185 A CB -0.706 18.228 19.000 -0.109 0.000 0.823 185 A HN 0.284 nan 8.150 nan 0.000 0.442 186 K N -0.300 120.061 120.400 -0.065 0.000 2.026 186 K HA -0.102 4.217 4.320 -0.002 0.000 0.208 186 K C 2.154 178.754 176.600 0.000 0.000 1.048 186 K CA 1.356 57.626 56.287 -0.028 0.000 0.929 186 K CB -0.362 32.129 32.500 -0.014 0.000 0.713 186 K HN 0.345 nan 8.250 nan 0.000 0.439 187 A N 1.342 124.182 122.820 0.034 0.000 1.902 187 A HA -0.188 4.131 4.320 -0.002 0.000 0.217 187 A C 1.938 179.595 177.584 0.122 0.000 1.181 187 A CA 1.828 53.938 52.037 0.120 0.000 0.623 187 A CB -0.397 18.796 19.000 0.321 0.000 0.818 187 A HN 0.340 nan 8.150 nan 0.000 0.443 188 K N -0.618 119.831 120.400 0.081 0.000 2.026 188 K HA -0.117 4.202 4.320 -0.002 0.000 0.208 188 K C 2.325 178.995 176.600 0.116 0.000 1.048 188 K CA 1.505 57.872 56.287 0.132 0.000 0.929 188 K CB -0.201 32.292 32.500 -0.013 0.000 0.713 188 K HN 0.388 nan 8.250 nan 0.000 0.439 189 R N 1.297 121.802 120.500 0.008 0.000 2.083 189 R HA -0.097 4.242 4.340 -0.002 0.000 0.237 189 R C 0.911 177.215 176.300 0.006 0.000 1.137 189 R CA 1.179 57.275 56.100 -0.006 0.000 0.951 189 R CB -0.224 30.055 30.300 -0.035 0.000 0.851 189 R HN 0.318 nan 8.270 nan 0.000 0.434 193 Q N 0.812 120.618 119.800 0.010 0.000 2.046 193 Q HA -0.128 4.211 4.340 -0.002 0.000 0.200 193 Q C 1.779 177.588 176.000 -0.318 0.000 0.975 193 Q CA 1.990 57.730 55.803 -0.104 0.000 0.836 193 Q CB -0.090 28.601 28.738 -0.078 0.000 0.896 193 Q HN 0.393 nan 8.270 nan 0.000 0.428 194 R N -0.918 119.389 120.500 -0.323 0.000 2.093 194 R HA -0.062 4.277 4.340 -0.002 0.000 0.224 194 R C 1.577 177.789 176.300 -0.146 0.000 1.101 194 R CA 1.040 56.946 56.100 -0.324 0.000 0.979 194 R CB 0.113 30.219 30.300 -0.324 0.000 0.877 194 R HN 0.273 nan 8.270 nan 0.000 0.441 195 Y N -0.513 119.712 120.300 -0.124 0.000 2.479 195 Y HA 0.191 4.740 4.550 -0.001 0.000 0.283 195 Y C 1.735 177.618 175.900 -0.028 0.000 1.109 195 Y CA 0.153 58.217 58.100 -0.060 0.000 1.239 195 Y CB 0.167 38.583 38.460 -0.074 0.000 1.108 195 Y HN -0.077 nan 8.280 nan 0.000 0.548 196 L N -1.740 119.537 121.223 0.090 0.000 2.701 196 L HA 0.165 4.504 4.340 -0.002 0.000 0.238 196 L C -0.164 176.831 176.870 0.209 0.000 1.106 196 L CA 0.070 54.981 54.840 0.119 0.000 0.898 196 L CB -0.160 41.934 42.059 0.059 0.000 1.188 196 L HN 0.158 nan 8.230 nan 0.000 0.508 197 H N 0.237 119.356 119.070 0.083 0.000 2.713 197 H HA -0.173 4.383 4.556 -0.001 0.000 0.311 197 H C -0.242 175.135 175.328 0.082 0.000 1.175 197 H CA 0.687 56.777 56.048 0.071 0.000 1.143 197 H CB -1.483 28.312 29.762 0.055 0.000 1.434 197 H HN 0.330 nan 8.280 nan 0.000 0.418 198 K N -0.214 120.283 120.400 0.163 0.000 2.435 198 K HA 0.508 4.827 4.320 -0.002 0.000 0.251 198 K C -0.114 176.571 176.600 0.141 0.000 0.954 198 K CA -0.883 55.506 56.287 0.169 0.000 0.820 198 K CB 2.120 34.764 32.500 0.240 0.000 1.292 198 K HN -0.026 nan 8.250 nan 0.000 0.436 199 T N 3.882 118.476 114.554 0.067 0.000 2.817 199 T HA 0.281 4.630 4.350 -0.002 0.000 0.293 199 T C -2.090 172.538 174.700 -0.120 0.000 0.964 199 T CA -1.112 60.980 62.100 -0.013 0.000 1.085 199 T CB 0.762 69.615 68.868 -0.024 0.000 0.921 199 T HN 0.390 nan 8.240 nan 0.000 0.502 200 P HA 0.330 nan 4.420 nan 0.000 0.281 200 P C -0.677 176.404 177.300 -0.364 0.000 1.264 200 P CA -0.660 62.064 63.100 -0.626 0.000 0.824 200 P CB 0.969 32.073 31.700 -0.994 0.000 1.092 201 S N 1.007 116.500 115.700 -0.345 0.000 2.465 201 S HA 0.170 4.639 4.470 -0.002 0.000 0.279 201 S C 1.460 175.920 174.600 -0.234 0.000 1.201 201 S CA -0.765 57.303 58.200 -0.221 0.000 1.053 201 S CB -0.483 62.625 63.200 -0.154 0.000 0.953 201 S HN 0.192 nan 8.310 nan 0.000 0.488 202 I N 4.632 125.091 120.570 -0.184 0.000 2.286 202 I HA -0.035 4.134 4.170 -0.002 0.000 0.245 202 I C 2.520 178.554 176.117 -0.137 0.000 1.104 202 I CA 0.923 62.120 61.300 -0.170 0.000 1.397 202 I CB -1.656 36.257 38.000 -0.144 0.000 1.072 202 I HN 0.595 nan 8.210 nan 0.000 0.417 203 E N 0.219 120.350 120.200 -0.116 0.000 2.158 203 E HA -0.079 4.271 4.350 -0.002 0.000 0.191 203 E C 0.476 177.018 176.600 -0.096 0.000 0.982 203 E CA 0.456 56.795 56.400 -0.100 0.000 0.823 203 E CB -0.056 29.590 29.700 -0.090 0.000 0.766 203 E HN 0.573 nan 8.360 nan 0.000 0.468 204 E N -0.189 119.959 120.200 -0.087 0.000 3.352 204 E HA 0.224 4.573 4.350 -0.002 0.000 0.254 204 E C -2.846 173.749 176.600 -0.008 0.000 1.229 204 E CA -1.375 54.995 56.400 -0.050 0.000 0.949 204 E CB 1.057 30.700 29.700 -0.094 0.000 1.373 204 E HN 0.423 nan 8.360 nan 0.000 0.392 205 P HA 0.152 nan 4.420 nan 0.000 0.268 205 P C -0.317 176.913 177.300 -0.116 0.000 1.205 205 P CA 0.042 63.060 63.100 -0.137 0.000 0.771 205 P CB 0.839 32.453 31.700 -0.142 0.000 0.858 206 Q N 0.944 120.673 119.800 -0.118 0.000 2.423 206 Q HA 0.653 4.992 4.340 -0.002 0.000 0.278 206 Q C -1.171 174.805 176.000 -0.041 0.000 1.097 206 Q CA -0.538 55.214 55.803 -0.085 0.000 0.809 206 Q CB 1.862 30.597 28.738 -0.005 0.000 1.391 206 Q HN 0.320 nan 8.270 nan 0.000 0.428 207 F N 0.177 120.146 119.950 0.033 0.000 2.576 207 F HA 0.427 4.954 4.527 -0.001 0.000 0.313 207 F C 0.271 175.920 175.800 -0.252 0.000 1.078 207 F CA -1.036 56.882 58.000 -0.137 0.000 0.921 207 F CB 2.003 40.812 39.000 -0.319 0.000 1.232 207 F HN 0.530 nan 8.300 nan 0.000 0.459 208 S N -0.345 115.343 115.700 -0.021 0.000 2.693 208 S HA 0.349 4.818 4.470 -0.002 0.000 0.276 208 S C 1.030 175.409 174.600 -0.368 0.000 1.192 208 S CA 0.064 58.213 58.200 -0.084 0.000 0.994 208 S CB 1.328 64.532 63.200 0.006 0.000 1.012 208 S HN 0.683 nan 8.310 nan 0.000 0.550 209 S N 0.139 115.708 115.700 -0.219 0.000 2.399 209 S HA -0.143 4.326 4.470 -0.002 0.000 0.231 209 S C 1.358 175.909 174.600 -0.082 0.000 1.022 209 S CA 1.062 59.169 58.200 -0.155 0.000 0.983 209 S CB -0.796 62.466 63.200 0.103 0.000 0.803 209 S HN 0.803 nan 8.310 nan 0.000 0.480 210 E N 1.249 121.420 120.200 -0.047 0.000 2.106 210 E HA -0.122 4.227 4.350 -0.002 0.000 0.192 210 E C 1.572 178.120 176.600 -0.086 0.000 0.984 210 E CA 1.144 57.523 56.400 -0.035 0.000 0.806 210 E CB -0.176 29.523 29.700 -0.001 0.000 0.750 210 E HN 0.532 nan 8.360 nan 0.000 0.458 211 D N 0.777 121.101 120.400 -0.127 0.000 2.104 211 D HA -0.173 4.466 4.640 -0.002 0.000 0.194 211 D C 1.916 178.018 176.300 -0.331 0.000 0.994 211 D CA 1.370 55.254 54.000 -0.192 0.000 0.830 211 D CB -0.292 40.407 40.800 -0.169 0.000 0.959 211 D HN 0.151 nan 8.370 nan 0.000 0.452 212 A N 0.849 123.442 122.820 -0.378 0.000 1.940 212 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 212 A C 2.441 179.922 177.584 -0.171 0.000 1.176 212 A CA 0.965 52.809 52.037 -0.321 0.000 0.631 212 A CB -0.795 18.166 19.000 -0.066 0.000 0.814 212 A HN 0.221 nan 8.150 nan 0.000 0.446 213 L N -0.595 120.565 121.223 -0.105 0.000 2.083 213 L HA -0.166 4.173 4.340 -0.002 0.000 0.209 213 L C 2.522 179.345 176.870 -0.077 0.000 1.083 213 L CA 1.053 55.853 54.840 -0.067 0.000 0.752 213 L CB -0.594 41.441 42.059 -0.040 0.000 0.899 213 L HN 0.262 nan 8.230 nan 0.000 0.433 214 V N 0.258 120.117 119.914 -0.092 0.000 2.343 214 V HA -0.299 3.820 4.120 -0.002 0.000 0.247 214 V C 2.312 178.352 176.094 -0.090 0.000 1.051 214 V CA 1.851 64.112 62.300 -0.066 0.000 1.036 214 V CB -0.292 31.503 31.823 -0.046 0.000 0.654 214 V HN 0.313 nan 8.190 nan 0.000 0.451 215 I N -0.547 119.928 120.570 -0.159 0.000 2.179 215 I HA -0.249 3.920 4.170 -0.002 0.000 0.242 215 I C 2.316 178.346 176.117 -0.146 0.000 1.088 215 I CA 1.572 62.754 61.300 -0.196 0.000 1.357 215 I CB -0.323 37.507 38.000 -0.284 0.000 1.051 215 I HN 0.244 nan 8.210 nan 0.000 0.409 216 L N 0.026 121.188 121.223 -0.103 0.000 2.046 216 L HA -0.244 4.095 4.340 -0.002 0.000 0.208 216 L C 2.677 179.556 176.870 0.014 0.000 1.077 216 L CA 1.254 56.071 54.840 -0.038 0.000 0.747 216 L CB -0.579 41.462 42.059 -0.030 0.000 0.896 216 L HN 0.267 nan 8.230 nan 0.000 0.432 217 Q N 0.867 120.666 119.800 -0.003 0.000 2.084 217 Q HA -0.262 4.077 4.340 -0.002 0.000 0.202 217 Q C 2.137 178.184 176.000 0.079 0.000 0.978 217 Q CA 1.910 57.743 55.803 0.049 0.000 0.844 217 Q CB -0.145 28.603 28.738 0.017 0.000 0.898 217 Q HN 0.300 nan 8.270 nan 0.000 0.426 218 K N -0.653 119.756 120.400 0.015 0.000 2.057 218 K HA -0.176 4.143 4.320 -0.002 0.000 0.207 218 K C 1.990 178.630 176.600 0.067 0.000 1.049 218 K CA 1.371 57.668 56.287 0.018 0.000 0.931 218 K CB -0.322 32.137 32.500 -0.068 0.000 0.714 218 K HN 0.317 nan 8.250 nan 0.000 0.440 219 L N 0.594 121.820 121.223 0.005 0.000 2.017 219 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 219 L C 2.234 179.176 176.870 0.121 0.000 1.073 219 L CA 1.729 56.584 54.840 0.026 0.000 0.745 219 L CB -0.768 41.262 42.059 -0.049 0.000 0.894 219 L HN 0.294 nan 8.230 nan 0.000 0.432 220 Y N -0.168 120.131 120.300 -0.002 0.000 2.145 220 Y HA -0.249 4.300 4.550 -0.002 0.000 0.286 220 Y C 2.387 178.255 175.900 -0.053 0.000 1.145 220 Y CA 2.393 60.461 58.100 -0.053 0.000 1.148 220 Y CB -0.683 37.757 38.460 -0.035 0.000 0.981 220 Y HN 0.212 nan 8.280 nan 0.000 0.507 221 T N 0.152 114.694 114.554 -0.020 0.000 2.770 221 T HA -0.144 4.205 4.350 -0.002 0.000 0.263 221 T C 1.522 176.149 174.700 -0.121 0.000 1.039 221 T CA 1.801 63.834 62.100 -0.111 0.000 1.142 221 T CB -0.193 68.681 68.868 0.010 0.000 0.868 221 T HN 0.427 nan 8.240 nan 0.000 0.435 222 E N 0.888 121.077 120.200 -0.017 0.000 2.435 222 E HA -0.038 4.311 4.350 -0.002 0.000 0.195 222 E C 2.096 178.651 176.600 -0.075 0.000 1.029 222 E CA 0.353 56.727 56.400 -0.044 0.000 0.865 222 E CB 0.003 29.688 29.700 -0.025 0.000 0.833 222 E HN 0.584 nan 8.360 nan 0.000 0.510 223 K N 0.577 120.966 120.400 -0.018 0.000 2.442 223 K HA 0.057 4.376 4.320 -0.002 0.000 0.198 223 K C 1.939 178.466 176.600 -0.121 0.000 1.042 223 K CA 0.926 57.195 56.287 -0.029 0.000 0.958 223 K CB 0.053 32.526 32.500 -0.045 0.000 0.766 223 K HN -0.021 nan 8.250 nan 0.000 0.474 224 A N 1.798 124.517 122.820 -0.169 0.000 1.972 224 A HA -0.117 4.202 4.320 -0.002 0.000 0.219 224 A C 2.117 179.633 177.584 -0.113 0.000 1.169 224 A CA 1.831 53.773 52.037 -0.157 0.000 0.635 224 A CB -0.619 18.277 19.000 -0.173 0.000 0.810 224 A HN 0.611 nan 8.150 nan 0.000 0.446 225 T N -4.320 110.166 114.554 -0.113 0.000 3.040 225 T HA 0.321 4.670 4.350 -0.002 0.000 0.266 225 T C 0.348 174.983 174.700 -0.108 0.000 1.005 225 T CA -0.195 61.846 62.100 -0.098 0.000 0.906 225 T CB 0.066 68.878 68.868 -0.093 0.000 1.082 225 T HN 0.259 nan 8.240 nan 0.000 0.531 226 K N 2.360 122.678 120.400 -0.136 0.000 2.473 226 K HA 0.348 4.667 4.320 -0.002 0.000 0.246 226 K C -2.373 174.204 176.600 -0.039 0.000 1.011 226 K CA -2.294 53.902 56.287 -0.151 0.000 0.984 226 K CB 1.998 34.242 32.500 -0.427 0.000 1.250 226 K HN -0.101 nan 8.250 nan 0.000 0.454 227 P HA -0.188 nan 4.420 nan 0.000 0.217 227 P C 0.289 177.615 177.300 0.044 0.000 1.148 227 P CA 1.203 64.310 63.100 0.012 0.000 0.828 227 P CB 0.334 32.038 31.700 0.006 0.000 0.783 228 D N -2.190 118.271 120.400 0.102 0.000 2.224 228 D HA -0.118 4.521 4.640 -0.002 0.000 0.205 228 D C 1.728 178.180 176.300 0.253 0.000 0.965 228 D CA 0.973 55.059 54.000 0.143 0.000 0.852 228 D CB -0.560 40.442 40.800 0.337 0.000 0.947 228 D HN 0.183 nan 8.370 nan 0.000 0.494 229 Y N 0.913 121.231 120.300 0.029 0.000 2.263 229 Y HA -0.083 4.466 4.550 -0.002 0.000 0.292 229 Y C 2.506 178.419 175.900 0.021 0.000 1.130 229 Y CA 0.507 58.619 58.100 0.020 0.000 1.179 229 Y CB -0.706 37.751 38.460 -0.005 0.000 0.998 229 Y HN -0.055 nan 8.280 nan 0.000 0.532 230 Q N 0.507 120.400 119.800 0.155 0.000 2.135 230 Q HA -0.158 4.181 4.340 -0.002 0.000 0.204 230 Q C 2.301 178.363 176.000 0.102 0.000 0.981 230 Q CA 1.933 57.786 55.803 0.085 0.000 0.856 230 Q CB -0.477 28.270 28.738 0.015 0.000 0.902 230 Q HN 0.371 nan 8.270 nan 0.000 0.425 231 A N 0.018 122.867 122.820 0.048 0.000 1.902 231 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 231 A C 2.118 179.703 177.584 0.001 0.000 1.181 231 A CA 1.458 53.489 52.037 -0.010 0.000 0.623 231 A CB -0.711 18.223 19.000 -0.110 0.000 0.818 231 A HN 0.479 nan 8.150 nan 0.000 0.443 232 I N -2.111 118.471 120.570 0.020 0.000 2.127 232 I HA -0.295 3.874 4.170 -0.002 0.000 0.241 232 I C 2.449 178.584 176.117 0.031 0.000 1.075 232 I CA 1.931 63.231 61.300 -0.001 0.000 1.334 232 I CB -0.506 37.469 38.000 -0.041 0.000 1.040 232 I HN 0.518 nan 8.210 nan 0.000 0.405 233 Y N 1.996 122.276 120.300 -0.033 0.000 2.114 233 Y HA -0.361 4.188 4.550 -0.002 0.000 0.282 233 Y C 2.270 178.164 175.900 -0.010 0.000 1.165 233 Y CA 2.051 60.144 58.100 -0.012 0.000 1.148 233 Y CB -0.271 38.197 38.460 0.013 0.000 0.972 233 Y HN 0.218 nan 8.280 nan 0.000 0.504 234 D N -0.365 120.115 120.400 0.132 0.000 2.144 234 D HA -0.099 4.540 4.640 -0.002 0.000 0.199 234 D C 1.300 177.569 176.300 -0.051 0.000 0.984 234 D CA 1.093 55.119 54.000 0.044 0.000 0.834 234 D CB -0.374 40.462 40.800 0.062 0.000 0.955 234 D HN 0.201 nan 8.370 nan 0.000 0.465 238 Q N 1.462 121.217 119.800 -0.075 0.000 2.403 238 Q HA 0.098 4.437 4.340 -0.002 0.000 0.203 238 Q C 0.263 176.170 176.000 -0.154 0.000 0.932 238 Q CA 0.447 56.199 55.803 -0.084 0.000 0.945 238 Q CB 0.449 29.128 28.738 -0.099 0.000 1.045 238 Q HN 0.322 nan 8.270 nan 0.000 0.511 239 S N -0.016 115.584 115.700 -0.166 0.000 2.558 239 S HA 0.072 4.541 4.470 -0.002 0.000 0.288 239 S C 1.284 175.655 174.600 -0.382 0.000 1.318 239 S CA 0.014 58.053 58.200 -0.270 0.000 1.056 239 S CB 1.124 64.206 63.200 -0.198 0.000 0.853 239 S HN 0.166 nan 8.310 nan 0.000 0.505 240 V N -1.184 118.309 119.914 -0.702 0.000 3.649 240 V HA 0.389 4.508 4.120 -0.002 0.000 0.275 240 V C -0.223 175.136 176.094 -1.225 0.000 1.281 240 V CA -0.172 61.582 62.300 -0.910 0.000 1.143 240 V CB -1.382 30.003 31.823 -0.729 0.000 0.892 240 V HN 0.656 nan 8.190 nan 0.000 0.441 241 F N 2.286 121.947 119.950 -0.483 0.000 2.334 241 F HA 0.516 5.042 4.527 -0.002 0.000 0.365 241 F C 0.688 176.350 175.800 -0.230 0.000 1.124 241 F CA -0.858 56.950 58.000 -0.321 0.000 1.166 241 F CB -0.027 38.859 39.000 -0.191 0.000 1.355 241 F HN 0.140 nan 8.300 nan 0.000 0.532 242 H N 3.608 122.756 119.070 0.129 0.000 2.745 242 H HA 0.250 4.805 4.556 -0.002 0.000 0.235 242 H C 0.099 175.478 175.328 0.084 0.000 1.815 242 H CA -0.129 55.972 56.048 0.087 0.000 1.321 242 H CB -0.222 29.548 29.762 0.013 0.000 1.716 242 H HN 0.731 nan 8.280 nan 0.000 0.546 243 E N 0.305 120.628 120.200 0.206 0.000 2.454 243 E HA 0.585 4.934 4.350 -0.002 0.000 0.279 243 E C -0.581 176.095 176.600 0.127 0.000 1.029 243 E CA -1.203 55.278 56.400 0.135 0.000 0.831 243 E CB 2.256 32.029 29.700 0.121 0.000 1.405 243 E HN 0.160 nan 8.360 nan 0.000 0.463 247 T N 0.632 115.079 114.554 -0.178 0.000 2.864 247 T HA 0.548 4.897 4.350 -0.002 0.000 0.289 247 T C -2.398 172.193 174.700 -0.182 0.000 1.082 247 T CA -1.766 60.243 62.100 -0.152 0.000 1.009 247 T CB 1.730 70.499 68.868 -0.165 0.000 1.234 247 T HN 0.093 nan 8.240 nan 0.000 0.526 248 P HA -0.005 nan 4.420 nan 0.000 0.219 248 P C 1.407 178.576 177.300 -0.218 0.000 1.146 248 P CA 1.127 64.135 63.100 -0.153 0.000 0.808 248 P CB -0.141 31.493 31.700 -0.109 0.000 0.779 249 T N -1.506 112.871 114.554 -0.295 0.000 2.812 249 T HA -0.091 4.258 4.350 -0.002 0.000 0.264 249 T C 1.707 175.946 174.700 -0.767 0.000 1.042 249 T CA 2.057 63.877 62.100 -0.467 0.000 1.140 249 T CB -0.953 67.611 68.868 -0.507 0.000 0.870 249 T HN 0.294 nan 8.240 nan 0.000 0.445 250 T N -0.595 113.523 114.554 -0.726 0.000 3.081 250 T HA 0.126 4.475 4.350 -0.002 0.000 0.250 250 T C 0.913 175.376 174.700 -0.396 0.000 1.100 250 T CA -0.206 61.406 62.100 -0.814 0.000 1.038 250 T CB -0.088 68.442 68.868 -0.563 0.000 0.962 250 T HN 0.125 nan 8.240 nan 0.000 0.516 251 Q N 1.521 121.147 119.800 -0.290 0.000 2.304 251 Q HA 0.180 4.519 4.340 -0.002 0.000 0.315 251 Q C 1.455 177.382 176.000 -0.122 0.000 1.075 251 Q CA 1.660 57.356 55.803 -0.178 0.000 0.988 251 Q CB -0.065 28.575 28.738 -0.163 0.000 1.146 251 Q HN 0.747 nan 8.270 nan 0.000 0.383 252 G N 4.357 113.110 108.800 -0.079 0.000 2.205 252 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.261 252 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.261 252 G C 0.407 175.311 174.900 0.006 0.000 0.980 252 G CA 0.630 45.710 45.100 -0.033 0.000 0.632 252 G HN 0.627 nan 8.290 nan 0.000 0.533 253 K N -0.528 119.876 120.400 0.006 0.000 2.826 253 K HA 0.552 4.871 4.320 -0.002 0.000 0.206 253 K C -0.620 176.031 176.600 0.084 0.000 1.116 253 K CA 0.107 56.455 56.287 0.101 0.000 1.045 253 K CB 1.991 34.647 32.500 0.259 0.000 0.758 253 K HN 0.375 nan 8.250 nan 0.000 0.465 254 V N 0.407 120.309 119.914 -0.020 0.000 2.733 254 V HA 0.713 4.832 4.120 -0.002 0.000 0.306 254 V C -1.726 174.307 176.094 -0.102 0.000 1.084 254 V CA -0.623 61.627 62.300 -0.084 0.000 0.905 254 V CB 1.723 33.423 31.823 -0.205 0.000 1.010 254 V HN 0.211 nan 8.190 nan 0.000 0.424 255 A N 5.840 128.565 122.820 -0.159 0.000 2.258 255 A HA 0.910 5.229 4.320 -0.002 0.000 0.316 255 A C -0.581 176.976 177.584 -0.044 0.000 1.279 255 A CA -0.073 51.809 52.037 -0.259 0.000 0.876 255 A CB 0.138 18.629 19.000 -0.848 0.000 1.170 255 A HN 1.565 nan 8.150 nan 0.000 0.520 256 H N -0.416 118.556 119.070 -0.163 0.000 3.016 256 H HA 0.800 5.355 4.556 -0.002 0.000 0.362 256 H C -1.109 174.174 175.328 -0.075 0.000 1.233 256 H CA -1.097 54.889 56.048 -0.103 0.000 1.124 256 H CB 1.602 31.320 29.762 -0.074 0.000 1.850 256 H HN 0.342 nan 8.280 nan 0.000 0.549 257 K N 3.257 123.577 120.400 -0.132 0.000 2.559 257 K HA 0.301 4.620 4.320 -0.002 0.000 0.249 257 K C -0.739 175.760 176.600 -0.168 0.000 0.958 257 K CA -0.682 55.495 56.287 -0.183 0.000 0.901 257 K CB 0.446 32.894 32.500 -0.087 0.000 1.124 257 K HN 0.668 nan 8.250 nan 0.000 0.437 258 I N 0.084 120.507 120.570 -0.244 0.000 3.004 258 I HA 0.725 4.894 4.170 -0.002 0.000 0.287 258 I C 0.272 176.284 176.117 -0.175 0.000 1.144 258 I CA -0.350 60.833 61.300 -0.195 0.000 1.353 258 I CB 1.210 39.071 38.000 -0.233 0.000 1.417 258 I HN 0.583 nan 8.210 nan 0.000 0.602 259 G N 2.404 111.113 108.800 -0.152 0.000 2.731 259 G HA2 0.618 4.577 3.960 -0.002 0.000 0.298 259 G HA3 0.618 4.577 3.960 -0.002 0.000 0.298 259 G C -1.483 173.321 174.900 -0.161 0.000 1.424 259 G CA -0.577 44.453 45.100 -0.118 0.000 1.029 259 G HN 0.758 nan 8.290 nan 0.000 0.518 260 S N 0.141 115.785 115.700 -0.092 0.000 2.572 260 S HA 0.665 5.134 4.470 -0.002 0.000 0.274 260 S C -1.805 172.891 174.600 0.160 0.000 1.150 260 S CA -0.637 57.541 58.200 -0.037 0.000 0.944 260 S CB 1.790 64.945 63.200 -0.075 0.000 1.071 260 S HN 0.854 nan 8.310 nan 0.000 0.479 261 Y N 2.225 122.591 120.300 0.109 0.000 2.275 261 Y HA 0.293 4.842 4.550 -0.002 0.000 0.319 261 Y C -0.208 175.845 175.900 0.255 0.000 1.204 261 Y CA -0.386 57.845 58.100 0.218 0.000 1.136 261 Y CB 0.460 39.158 38.460 0.396 0.000 1.228 261 Y HN 0.753 nan 8.280 nan 0.000 0.413 262 D N 1.797 121.994 120.400 -0.338 0.000 3.899 262 D HA -0.338 4.301 4.640 -0.002 0.000 0.146 262 D C 0.842 177.094 176.300 -0.080 0.000 0.820 262 D CA 2.083 55.934 54.000 -0.249 0.000 1.056 262 D CB -0.204 40.395 40.800 -0.335 0.000 0.474 262 D HN 0.850 nan 8.370 nan 0.000 0.457 263 E N -0.229 119.913 120.200 -0.097 0.000 2.481 263 E HA 0.027 4.376 4.350 -0.002 0.000 0.195 263 E C 0.207 176.690 176.600 -0.195 0.000 1.047 263 E CA -0.015 56.281 56.400 -0.174 0.000 0.867 263 E CB -0.054 29.486 29.700 -0.266 0.000 0.858 263 E HN 0.220 nan 8.360 nan 0.000 0.513 264 F N 1.363 121.363 119.950 0.084 0.000 2.424 264 F HA 0.225 4.751 4.527 -0.002 0.000 0.356 264 F C 0.390 175.997 175.800 -0.322 0.000 1.110 264 F CA -0.273 57.706 58.000 -0.035 0.000 1.161 264 F CB 0.705 39.783 39.000 0.130 0.000 1.115 264 F HN -0.172 nan 8.300 nan 0.000 0.507 265 I N 4.982 125.379 120.570 -0.288 0.000 2.497 265 I HA 0.271 4.440 4.170 -0.002 0.000 0.284 265 I C -0.678 175.276 176.117 -0.273 0.000 1.060 265 I CA -0.542 60.599 61.300 -0.266 0.000 1.071 265 I CB 1.254 39.209 38.000 -0.075 0.000 1.216 265 I HN 0.564 nan 8.210 nan 0.000 0.442 266 H N 3.383 122.327 119.070 -0.209 0.000 2.894 266 H HA 0.748 5.303 4.556 -0.002 0.000 0.368 266 H C -0.956 174.149 175.328 -0.371 0.000 1.181 266 H CA -0.658 55.104 56.048 -0.477 0.000 1.146 266 H CB 2.732 31.953 29.762 -0.901 0.000 1.839 266 H HN 0.436 nan 8.280 nan 0.000 0.557 270 I N 1.040 121.563 120.570 -0.080 0.000 2.406 270 I HA 0.422 4.591 4.170 -0.002 0.000 0.290 270 I C -0.756 175.262 176.117 -0.165 0.000 0.999 270 I CA -0.826 60.403 61.300 -0.118 0.000 1.124 270 I CB 1.467 39.516 38.000 0.082 0.000 1.289 270 I HN 0.190 nan 8.210 nan 0.000 0.441 271 L N 6.021 127.022 121.223 -0.370 0.000 2.265 271 L HA 0.337 4.676 4.340 -0.002 0.000 0.289 271 L C 0.783 177.551 176.870 -0.169 0.000 1.033 271 L CA -0.131 54.537 54.840 -0.286 0.000 0.814 271 L CB 0.944 42.579 42.059 -0.707 0.000 1.203 271 L HN 0.577 nan 8.230 nan 0.000 0.423 272 E N 1.856 122.090 120.200 0.057 0.000 2.452 272 E HA 0.066 4.415 4.350 -0.002 0.000 0.293 272 E C 0.306 176.880 176.600 -0.043 0.000 1.535 272 E CA -0.250 56.179 56.400 0.048 0.000 1.816 272 E CB 0.114 29.893 29.700 0.132 0.000 1.494 272 E HN 0.639 nan 8.360 nan 0.000 0.464 273 T N -2.119 112.261 114.554 -0.289 0.000 2.802 273 T HA 0.038 4.387 4.350 -0.002 0.000 0.305 273 T C -1.649 172.898 174.700 -0.255 0.000 1.053 273 T CA -1.481 60.333 62.100 -0.477 0.000 1.058 273 T CB 0.813 69.341 68.868 -0.567 0.000 0.988 273 T HN -0.110 nan 8.240 nan 0.000 0.539 274 P HA -0.143 nan 4.420 nan 0.000 0.216 274 P C 0.393 177.388 177.300 -0.508 0.000 1.154 274 P CA 1.299 64.189 63.100 -0.351 0.000 0.865 274 P CB -0.071 31.396 31.700 -0.389 0.000 0.789 275 H N -0.846 118.033 119.070 -0.319 0.000 2.685 275 H HA 0.255 4.810 4.556 -0.001 0.000 0.286 275 H C -2.166 173.049 175.328 -0.188 0.000 1.102 275 H CA -2.465 53.350 56.048 -0.388 0.000 1.254 275 H CB 0.223 29.391 29.762 -0.989 0.000 1.397 275 H HN 0.187 nan 8.280 nan 0.000 0.473 276 P HA 0.127 nan 4.420 nan 0.000 0.274 276 P C -0.473 176.863 177.300 0.061 0.000 1.237 276 P CA -0.276 62.814 63.100 -0.018 0.000 0.793 276 P CB 0.831 32.480 31.700 -0.086 0.000 0.977 277 F N -1.188 118.674 119.950 -0.147 0.000 2.599 277 F HA 0.820 5.346 4.527 -0.001 0.000 0.311 277 F C -1.298 174.389 175.800 -0.188 0.000 1.076 277 F CA -1.741 56.133 58.000 -0.211 0.000 0.937 277 F CB 0.920 39.813 39.000 -0.177 0.000 1.282 277 F HN 0.392 nan 8.300 nan 0.000 0.460 278 A N 2.609 125.338 122.820 -0.152 0.000 2.303 278 A HA 0.844 5.163 4.320 -0.002 0.000 0.317 278 A C -1.703 175.882 177.584 0.002 0.000 1.149 278 A CA -0.709 51.242 52.037 -0.144 0.000 0.822 278 A CB 1.334 20.255 19.000 -0.132 0.000 1.131 278 A HN 1.058 nan 8.150 nan 0.000 0.493 279 L N 1.073 122.309 121.223 0.021 0.000 2.482 279 L HA 0.780 5.119 4.340 -0.002 0.000 0.263 279 L C -0.507 176.434 176.870 0.117 0.000 0.957 279 L CA 0.018 54.946 54.840 0.147 0.000 0.836 279 L CB 1.960 44.149 42.059 0.217 0.000 1.324 279 L HN 1.080 nan 8.230 nan 0.000 0.406 280 A N 5.896 128.817 122.820 0.167 0.000 2.353 280 A HA 0.847 5.166 4.320 -0.002 0.000 0.299 280 A C -1.302 176.438 177.584 0.260 0.000 1.089 280 A CA -0.302 51.873 52.037 0.229 0.000 0.736 280 A CB 0.854 20.023 19.000 0.282 0.000 1.195 280 A HN 0.595 nan 8.150 nan 0.000 0.447 281 I N 2.491 123.175 120.570 0.189 0.000 2.439 281 I HA 0.417 4.586 4.170 -0.002 0.000 0.283 281 I C -1.473 174.636 176.117 -0.012 0.000 1.023 281 I CA -0.217 61.169 61.300 0.144 0.000 1.100 281 I CB 1.468 39.527 38.000 0.098 0.000 1.238 281 I HN 0.517 nan 8.210 nan 0.000 0.445 282 F N 3.753 123.568 119.950 -0.225 0.000 2.482 282 F HA 0.621 5.147 4.527 -0.002 0.000 0.331 282 F C 0.542 175.927 175.800 -0.691 0.000 1.115 282 F CA -0.598 57.071 58.000 -0.551 0.000 0.955 282 F CB 2.297 40.663 39.000 -1.057 0.000 1.136 282 F HN 0.363 nan 8.300 nan 0.000 0.452 283 T N 0.558 115.014 114.554 -0.163 0.000 2.903 283 T HA 0.584 4.933 4.350 -0.002 0.000 0.299 283 T C -1.324 173.511 174.700 0.225 0.000 1.093 283 T CA -0.980 61.065 62.100 -0.092 0.000 1.002 283 T CB 2.222 70.941 68.868 -0.249 0.000 1.127 283 T HN 0.637 nan 8.240 nan 0.000 0.488 284 K N 1.213 121.841 120.400 0.379 0.000 2.507 284 K HA 0.672 4.991 4.320 -0.002 0.000 0.252 284 K C -0.628 176.074 176.600 0.169 0.000 0.943 284 K CA -0.540 55.856 56.287 0.181 0.000 0.808 284 K CB 1.322 33.908 32.500 0.143 0.000 1.142 284 K HN 1.138 nan 8.250 nan 0.000 0.426 285 G N 2.639 111.472 108.800 0.056 0.000 2.559 285 G HA2 0.330 4.289 3.960 -0.002 0.000 0.291 285 G HA3 0.330 4.289 3.960 -0.002 0.000 0.291 285 G C -2.694 172.166 174.900 -0.068 0.000 1.424 285 G CA -0.889 44.197 45.100 -0.023 0.000 0.786 285 G HN 0.344 nan 8.290 nan 0.000 0.485 286 P HA 0.132 nan 4.420 nan 0.000 0.240 286 P C -0.358 176.905 177.300 -0.062 0.000 1.190 286 P CA 0.813 63.861 63.100 -0.087 0.000 0.781 286 P CB 0.734 32.376 31.700 -0.097 0.000 0.931 287 D N -0.056 120.316 120.400 -0.047 0.000 2.420 287 D HA 0.135 4.774 4.640 -0.002 0.000 0.255 287 D C 0.524 176.837 176.300 0.022 0.000 1.185 287 D CA -0.411 53.578 54.000 -0.019 0.000 0.904 287 D CB 0.316 41.099 40.800 -0.028 0.000 1.102 287 D HN -0.133 nan 8.370 nan 0.000 0.534 288 N N 1.591 120.297 118.700 0.011 0.000 2.104 288 N HA -0.217 4.522 4.740 -0.002 0.000 0.190 288 N C 1.791 177.327 175.510 0.044 0.000 1.024 288 N CA 1.370 54.433 53.050 0.021 0.000 0.853 288 N CB 0.253 38.738 38.487 -0.004 0.000 1.008 288 N HN 0.417 nan 8.380 nan 0.000 0.424 289 A N 1.693 124.536 122.820 0.038 0.000 1.902 289 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 289 A C 2.042 179.675 177.584 0.082 0.000 1.181 289 A CA 1.374 53.440 52.037 0.048 0.000 0.623 289 A CB -0.313 18.707 19.000 0.034 0.000 0.818 289 A HN 0.196 nan 8.150 nan 0.000 0.443 290 K N -0.163 120.294 120.400 0.095 0.000 2.097 290 K HA -0.065 4.254 4.320 -0.002 0.000 0.205 290 K C 2.372 179.130 176.600 0.262 0.000 1.050 290 K CA 1.423 57.802 56.287 0.153 0.000 0.938 290 K CB -0.180 32.387 32.500 0.112 0.000 0.718 290 K HN 0.439 nan 8.250 nan 0.000 0.442 291 S N 0.996 116.848 115.700 0.254 0.000 2.356 291 S HA -0.148 4.321 4.470 -0.002 0.000 0.223 291 S C 2.144 176.844 174.600 0.166 0.000 1.032 291 S CA 1.280 59.637 58.200 0.262 0.000 1.005 291 S CB -0.208 63.107 63.200 0.192 0.000 0.867 291 S HN 0.431 nan 8.310 nan 0.000 0.449 292 A N 1.487 124.376 122.820 0.114 0.000 1.933 292 A HA 0.143 4.462 4.320 -0.002 0.000 0.218 292 A C 2.327 179.968 177.584 0.096 0.000 1.175 292 A CA 1.636 53.721 52.037 0.080 0.000 0.628 292 A CB -0.979 18.052 19.000 0.051 0.000 0.814 292 A HN 0.510 nan 8.150 nan 0.000 0.444 293 A N -1.289 121.604 122.820 0.121 0.000 1.930 293 A HA 0.002 4.321 4.320 -0.002 0.000 0.217 293 A C 2.016 179.677 177.584 0.129 0.000 1.175 293 A CA 1.444 53.546 52.037 0.107 0.000 0.627 293 A CB -0.666 18.399 19.000 0.110 0.000 0.815 293 A HN 0.665 nan 8.150 nan 0.000 0.443 294 F N 0.789 120.766 119.950 0.046 0.000 2.102 294 F HA -0.162 4.364 4.527 -0.002 0.000 0.298 294 F C 1.938 177.725 175.800 -0.023 0.000 1.105 294 F CA 1.823 59.836 58.000 0.022 0.000 1.239 294 F CB -0.223 38.779 39.000 0.002 0.000 0.991 294 F HN 0.181 nan 8.300 nan 0.000 0.474 295 I N 0.434 121.058 120.570 0.091 0.000 2.163 295 I HA -0.354 3.815 4.170 -0.002 0.000 0.243 295 I C 2.716 178.789 176.117 -0.073 0.000 1.085 295 I CA 1.377 62.668 61.300 -0.014 0.000 1.347 295 I CB -1.030 36.993 38.000 0.038 0.000 1.044 295 I HN 0.264 nan 8.210 nan 0.000 0.408 296 A N -0.354 122.443 122.820 -0.037 0.000 1.902 296 A HA -0.234 4.085 4.320 -0.002 0.000 0.217 296 A C 2.492 180.033 177.584 -0.071 0.000 1.181 296 A CA 2.202 54.211 52.037 -0.046 0.000 0.623 296 A CB -0.779 18.206 19.000 -0.024 0.000 0.818 296 A HN 0.413 nan 8.150 nan 0.000 0.443 297 S N -0.655 114.984 115.700 -0.102 0.000 2.355 297 S HA -0.122 4.347 4.470 -0.002 0.000 0.222 297 S C 1.915 176.423 174.600 -0.154 0.000 1.031 297 S CA 1.670 59.800 58.200 -0.116 0.000 0.993 297 S CB -0.475 62.656 63.200 -0.116 0.000 0.859 297 S HN 0.291 nan 8.310 nan 0.000 0.453 298 V N 1.530 121.271 119.914 -0.289 0.000 2.358 298 V HA -0.127 3.992 4.120 -0.002 0.000 0.246 298 V C 2.653 178.718 176.094 -0.050 0.000 1.047 298 V CA 2.222 64.375 62.300 -0.246 0.000 1.035 298 V CB -1.408 30.165 31.823 -0.416 0.000 0.658 298 V HN 0.552 nan 8.190 nan 0.000 0.452 299 T N -0.217 114.330 114.554 -0.013 0.000 2.684 299 T HA -0.225 4.124 4.350 -0.002 0.000 0.267 299 T C 1.678 176.485 174.700 0.178 0.000 1.036 299 T CA 1.874 64.045 62.100 0.118 0.000 1.148 299 T CB -0.399 68.502 68.868 0.056 0.000 0.863 299 T HN 0.452 nan 8.240 nan 0.000 0.436 300 D N 0.804 121.246 120.400 0.070 0.000 2.144 300 D HA -0.022 4.617 4.640 -0.002 0.000 0.199 300 D C 2.218 178.608 176.300 0.149 0.000 0.984 300 D CA 0.953 55.002 54.000 0.081 0.000 0.834 300 D CB -0.141 40.650 40.800 -0.014 0.000 0.955 300 D HN 0.390 nan 8.370 nan 0.000 0.465 301 K N 0.111 120.558 120.400 0.078 0.000 2.057 301 K HA -0.029 4.290 4.320 -0.002 0.000 0.206 301 K C 2.303 178.947 176.600 0.075 0.000 1.050 301 K CA 0.533 56.853 56.287 0.056 0.000 0.935 301 K CB -0.080 32.414 32.500 -0.010 0.000 0.715 301 K HN 0.133 nan 8.250 nan 0.000 0.439 302 L N 0.097 121.377 121.223 0.095 0.000 2.056 302 L HA -0.182 4.157 4.340 -0.002 0.000 0.207 302 L C 2.466 179.411 176.870 0.126 0.000 1.078 302 L CA 0.970 55.830 54.840 0.033 0.000 0.749 302 L CB -0.509 41.598 42.059 0.080 0.000 0.901 302 L HN 0.466 nan 8.230 nan 0.000 0.433 303 W N 1.437 122.857 121.300 0.199 0.000 2.318 303 W HA -0.328 4.332 4.660 0.000 0.000 0.313 303 W C 2.502 179.108 176.519 0.145 0.000 1.221 303 W CA 2.377 59.884 57.345 0.271 0.000 1.266 303 W CB -0.276 29.322 29.460 0.229 0.000 1.150 303 W HN 0.298 nan 8.180 nan 0.000 0.496 304 Q N 0.834 120.868 119.800 0.390 0.000 2.084 304 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 304 Q C 2.192 178.272 176.000 0.133 0.000 0.978 304 Q CA 2.138 58.095 55.803 0.257 0.000 0.844 304 Q CB -1.142 27.705 28.738 0.182 0.000 0.898 304 Q HN 0.289 nan 8.270 nan 0.000 0.426 305 L N 0.284 121.562 121.223 0.092 0.000 2.056 305 L HA -0.107 4.232 4.340 -0.002 0.000 0.207 305 L C 2.321 179.316 176.870 0.208 0.000 1.078 305 L CA 2.193 57.090 54.840 0.094 0.000 0.749 305 L CB -0.959 41.074 42.059 -0.044 0.000 0.901 305 L HN 0.367 nan 8.230 nan 0.000 0.433 306 Q N -0.909 118.966 119.800 0.125 0.000 2.170 306 Q HA -0.137 4.202 4.340 -0.002 0.000 0.203 306 Q C 2.054 178.077 176.000 0.039 0.000 0.976 306 Q CA 2.201 58.096 55.803 0.154 0.000 0.858 306 Q CB -0.196 28.514 28.738 -0.047 0.000 0.907 306 Q HN 0.563 nan 8.270 nan 0.000 0.433 307 V N -2.442 117.441 119.914 -0.053 0.000 3.052 307 V HA 0.057 4.176 4.120 -0.002 0.000 0.254 307 V C 1.707 177.812 176.094 0.018 0.000 1.100 307 V CA 1.445 63.703 62.300 -0.069 0.000 1.112 307 V CB -0.112 31.637 31.823 -0.124 0.000 0.738 307 V HN 0.419 nan 8.190 nan 0.000 0.469 308 S N -0.328 115.403 115.700 0.053 0.000 2.514 308 S HA 0.222 4.691 4.470 -0.002 0.000 0.223 308 S C 1.385 176.008 174.600 0.039 0.000 1.046 308 S CA 0.381 58.612 58.200 0.051 0.000 0.914 308 S CB -0.039 63.199 63.200 0.063 0.000 0.807 308 S HN 0.669 nan 8.310 nan 0.000 0.497 309 E N -0.149 120.085 120.200 0.057 0.000 2.630 309 E HA 0.227 4.576 4.350 -0.002 0.000 0.218 309 E C -1.039 175.402 176.600 -0.264 0.000 0.977 309 E CA -0.504 55.905 56.400 0.016 0.000 1.038 309 E CB 0.364 30.155 29.700 0.150 0.000 1.051 309 E HN 0.574 nan 8.360 nan 0.000 0.487 310 Y N 4.302 124.288 120.300 -0.524 0.000 2.717 310 Y HA 0.002 4.551 4.550 -0.001 0.000 0.330 310 Y C -1.953 173.525 175.900 -0.704 0.000 1.217 310 Y CA -1.592 55.902 58.100 -1.009 0.000 1.506 310 Y CB 0.501 38.559 38.460 -0.671 0.000 1.268 310 Y HN -0.008 nan 8.280 nan 0.000 0.561 311 P HA 0.050 nan 4.420 nan 0.000 0.275 311 P C -1.064 176.015 177.300 -0.369 0.000 1.227 311 P CA -0.288 62.431 63.100 -0.634 0.000 0.781 311 P CB 0.700 32.001 31.700 -0.665 0.000 0.906 312 N N 2.631 121.221 118.700 -0.184 0.000 2.483 312 N HA 0.049 4.788 4.740 -0.002 0.000 0.264 312 N C 0.610 176.072 175.510 -0.080 0.000 1.197 312 N CA 0.169 53.170 53.050 -0.080 0.000 0.927 312 N CB 0.241 38.701 38.487 -0.045 0.000 1.065 312 N HN 0.363 nan 8.380 nan 0.000 0.461 313 Q N 0.000 119.784 119.800 -0.027 0.000 2.315 313 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 313 Q CA 0.000 55.798 55.803 -0.009 0.000 1.022 313 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 313 Q HN 0.000 nan 8.270 nan 0.000 0.481