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 1zgl_1_R DATA FIRST_RESID 0 DATA SEQUENCE GGGGVTQTPR YLIKTRGQQV TLScSPISGH RSVSWYQQTP GQGLQFLFEY DATA SEQUENCE FNETQRNKGN FPGXRFSGRQ FSNSRSEMNV STLELGDSAL YLcASSLADR DATA SEQUENCE VNTEXXAFFG QGTRLTVVED LKNVFPPEVA VFEPSEAEIS HTQKATLVcL DATA SEQUENCE ATGFYPDHVE LSWWVNGKEV HSGVSTDPQP LKEQPALNDS RYSLSSRLRV DATA SEQUENCE SATFWQNPRN HFRcQVQFYG LSENDEWTQD RAKPVTQIVS A 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 0 G C 0.000 174.893 174.900 -0.012 0.000 0.946 0 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 1 G N -0.863 107.929 108.800 -0.012 0.000 2.013 1 G HA2 0.480 4.439 3.960 -0.001 0.000 0.076 1 G HA3 0.480 4.439 3.960 -0.001 0.000 0.076 1 G C 0.805 175.690 174.900 -0.024 0.000 1.053 1 G CA 1.586 46.675 45.100 -0.018 0.000 1.230 1 G HN 1.841 nan 8.290 nan 0.000 0.431 2 G N -1.471 107.304 108.800 -0.042 0.000 3.898 2 G HA2 0.459 4.419 3.960 -0.001 0.000 0.196 2 G HA3 0.459 4.419 3.960 -0.001 0.000 0.196 2 G C 1.148 175.997 174.900 -0.085 0.000 1.322 2 G CA 1.301 46.373 45.100 -0.048 0.000 0.942 2 G HN 2.114 nan 8.290 nan 0.000 0.400 3 G N -0.367 108.383 108.800 -0.084 0.000 3.310 3 G HA2 0.497 4.457 3.960 -0.001 0.000 0.176 3 G HA3 0.497 4.457 3.960 -0.001 0.000 0.176 3 G C -0.258 174.556 174.900 -0.143 0.000 1.307 3 G CA 0.547 45.574 45.100 -0.122 0.000 0.935 3 G HN 0.872 nan 8.290 nan 0.000 0.628 4 V N 2.127 121.979 119.914 -0.104 0.000 2.112 4 V HA 0.224 4.344 4.120 -0.001 0.000 0.271 4 V C 0.754 176.812 176.094 -0.061 0.000 1.465 4 V CA -0.038 62.201 62.300 -0.102 0.000 1.419 4 V CB -0.470 31.306 31.823 -0.078 0.000 1.409 4 V HN 0.736 nan 8.190 nan 0.000 0.495 5 T N 1.225 115.749 114.554 -0.051 0.000 2.771 5 T HA 0.214 4.564 4.350 -0.001 0.000 0.277 5 T C 0.007 174.703 174.700 -0.007 0.000 0.919 5 T CA -0.190 61.897 62.100 -0.022 0.000 1.163 5 T CB -0.098 68.761 68.868 -0.015 0.000 0.876 5 T HN 0.632 nan 8.240 nan 0.000 0.545 6 Q N 2.887 122.687 119.800 -0.001 0.000 2.256 6 Q HA 0.581 4.921 4.340 -0.001 0.000 0.257 6 Q C 0.051 176.070 176.000 0.032 0.000 0.936 6 Q CA -0.894 54.930 55.803 0.034 0.000 0.903 6 Q CB 1.963 30.722 28.738 0.035 0.000 1.263 6 Q HN 0.918 nan 8.270 nan 0.000 0.440 7 T N -1.169 113.423 114.554 0.063 0.000 2.900 7 T HA 0.626 4.975 4.350 -0.001 0.000 0.303 7 T C -2.874 171.847 174.700 0.035 0.000 1.142 7 T CA -1.987 60.130 62.100 0.028 0.000 1.007 7 T CB 2.173 71.054 68.868 0.021 0.000 1.156 7 T HN 0.278 nan 8.240 nan 0.000 0.490 8 P HA 0.328 nan 4.420 nan 0.000 0.278 8 P C 0.346 177.591 177.300 -0.091 0.000 1.258 8 P CA -0.598 62.483 63.100 -0.031 0.000 0.811 8 P CB 1.344 33.027 31.700 -0.029 0.000 1.063 9 R N 1.734 122.166 120.500 -0.113 0.000 2.196 9 R HA -0.158 4.181 4.340 -0.001 0.000 0.227 9 R C 0.682 176.652 176.300 -0.551 0.000 1.108 9 R CA 1.822 57.759 56.100 -0.271 0.000 0.884 9 R CB -2.093 28.128 30.300 -0.131 0.000 0.839 9 R HN 0.470 nan 8.270 nan 0.000 0.431 10 Y N -1.394 118.671 120.300 -0.392 0.000 2.659 10 Y HA 0.736 5.286 4.550 -0.001 0.000 0.333 10 Y C -0.103 175.600 175.900 -0.329 0.000 1.064 10 Y CA -0.553 57.224 58.100 -0.538 0.000 1.141 10 Y CB 1.917 39.808 38.460 -0.949 0.000 1.316 10 Y HN 0.289 nan 8.280 nan 0.000 0.509 11 L N 1.529 122.674 121.223 -0.129 0.000 2.795 11 L HA 0.512 4.852 4.340 -0.001 0.000 0.260 11 L C -1.777 175.166 176.870 0.121 0.000 0.935 11 L CA -0.766 54.075 54.840 0.002 0.000 0.985 11 L CB 0.809 42.858 42.059 -0.016 0.000 1.433 11 L HN 0.544 nan 8.230 nan 0.000 0.447 12 I N 3.149 123.794 120.570 0.125 0.000 2.297 12 I HA 0.673 4.843 4.170 -0.001 0.000 0.291 12 I C 0.423 176.602 176.117 0.103 0.000 1.033 12 I CA -0.196 61.202 61.300 0.163 0.000 1.253 12 I CB 0.928 39.021 38.000 0.155 0.000 1.396 12 I HN 0.940 nan 8.210 nan 0.000 0.476 13 K N 3.657 124.121 120.400 0.106 0.000 2.350 13 K HA 0.819 5.139 4.320 -0.001 0.000 0.241 13 K C -0.134 176.518 176.600 0.088 0.000 0.994 13 K CA -0.723 55.605 56.287 0.069 0.000 0.839 13 K CB 1.693 34.213 32.500 0.033 0.000 1.244 13 K HN 0.659 nan 8.250 nan 0.000 0.443 14 T N -1.713 112.882 114.554 0.069 0.000 2.855 14 T HA 0.507 4.856 4.350 -0.001 0.000 0.281 14 T C 0.239 174.975 174.700 0.060 0.000 1.007 14 T CA -0.713 61.434 62.100 0.078 0.000 1.009 14 T CB 1.081 69.995 68.868 0.077 0.000 0.983 14 T HN 0.752 nan 8.240 nan 0.000 0.455 15 R N 1.192 121.733 120.500 0.068 0.000 2.500 15 R HA 0.294 4.634 4.340 -0.001 0.000 0.281 15 R C 1.404 177.726 176.300 0.038 0.000 0.953 15 R CA 2.005 58.137 56.100 0.054 0.000 1.108 15 R CB -0.741 29.596 30.300 0.060 0.000 0.901 15 R HN 1.195 nan 8.270 nan 0.000 0.410 16 G N 2.675 111.489 108.800 0.024 0.000 2.792 16 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.201 16 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.201 16 G C -0.241 174.657 174.900 -0.004 0.000 1.322 16 G CA 0.064 45.172 45.100 0.013 0.000 0.910 16 G HN 0.677 nan 8.290 nan 0.000 0.535 17 Q N 0.786 120.583 119.800 -0.004 0.000 2.677 17 Q HA 0.544 4.883 4.340 -0.001 0.000 0.187 17 Q C 0.312 176.283 176.000 -0.048 0.000 1.146 17 Q CA 0.667 56.458 55.803 -0.020 0.000 1.224 17 Q CB -0.011 28.720 28.738 -0.012 0.000 1.268 17 Q HN 0.775 nan 8.270 nan 0.000 0.674 18 Q N -1.612 118.149 119.800 -0.064 0.000 2.451 18 Q HA 0.761 5.101 4.340 -0.001 0.000 0.281 18 Q C -1.531 174.402 176.000 -0.113 0.000 1.099 18 Q CA -1.008 54.732 55.803 -0.105 0.000 0.806 18 Q CB 1.911 30.584 28.738 -0.108 0.000 1.419 18 Q HN 0.383 nan 8.270 nan 0.000 0.427 19 V N 0.259 120.075 119.914 -0.164 0.000 2.876 19 V HA 0.752 4.872 4.120 -0.001 0.000 0.312 19 V C -0.840 175.127 176.094 -0.212 0.000 1.085 19 V CA -0.720 61.477 62.300 -0.171 0.000 0.945 19 V CB 2.432 34.138 31.823 -0.194 0.000 1.017 19 V HN 0.930 nan 8.190 nan 0.000 0.428 20 T N 4.733 119.180 114.554 -0.179 0.000 2.892 20 T HA 0.609 4.959 4.350 -0.001 0.000 0.311 20 T C -0.806 173.790 174.700 -0.174 0.000 1.033 20 T CA -0.271 61.716 62.100 -0.189 0.000 0.991 20 T CB 0.707 69.500 68.868 -0.125 0.000 0.981 20 T HN 0.243 nan 8.240 nan 0.000 0.457 21 L N 3.272 124.344 121.223 -0.251 0.000 2.343 21 L HA 0.733 5.072 4.340 -0.001 0.000 0.275 21 L C 0.561 177.390 176.870 -0.069 0.000 1.056 21 L CA -0.307 54.436 54.840 -0.161 0.000 0.804 21 L CB 1.560 43.493 42.059 -0.211 0.000 1.203 21 L HN 0.699 nan 8.230 nan 0.000 0.440 22 S N 0.870 116.647 115.700 0.129 0.000 2.557 22 S HA 0.674 5.144 4.470 -0.001 0.000 0.291 22 S C -0.867 173.933 174.600 0.333 0.000 1.116 22 S CA -0.788 57.553 58.200 0.235 0.000 0.992 22 S CB 1.471 64.745 63.200 0.124 0.000 1.028 22 S HN 0.698 nan 8.310 nan 0.000 0.484 23 c N 2.742 121.587 118.600 0.408 0.000 2.455 23 c HA 0.854 5.423 4.570 -0.001 0.000 0.320 23 c C -0.043 174.105 174.090 0.095 0.000 1.226 23 c CA -0.189 56.240 56.329 0.167 0.000 1.569 23 c CB 1.039 43.483 42.510 -0.110 0.000 2.200 23 c HN 1.024 nan 8.230 nan 0.000 0.491 24 S N 7.335 123.049 115.700 0.025 0.000 2.594 24 S HA 0.616 5.086 4.470 -0.001 0.000 0.322 24 S C -2.325 172.244 174.600 -0.052 0.000 1.085 24 S CA -0.999 57.206 58.200 0.008 0.000 1.116 24 S CB 1.051 64.255 63.200 0.008 0.000 0.979 24 S HN 0.786 nan 8.310 nan 0.000 0.465 25 P HA 0.091 nan 4.420 nan 0.000 0.272 25 P C 0.029 177.194 177.300 -0.224 0.000 1.248 25 P CA -0.317 62.702 63.100 -0.136 0.000 0.799 25 P CB 0.429 32.097 31.700 -0.053 0.000 0.997 26 I N -0.080 120.190 120.570 -0.500 0.000 2.752 26 I HA -0.067 4.103 4.170 -0.001 0.000 0.287 26 I C 1.479 177.406 176.117 -0.316 0.000 1.188 26 I CA 0.185 61.122 61.300 -0.605 0.000 1.427 26 I CB -0.033 37.221 38.000 -1.242 0.000 1.365 26 I HN 0.330 nan 8.210 nan 0.000 0.585 27 S N 4.984 120.590 115.700 -0.156 0.000 2.752 27 S HA 0.180 4.650 4.470 -0.001 0.000 0.329 27 S C 0.939 175.561 174.600 0.037 0.000 1.204 27 S CA 0.735 58.909 58.200 -0.043 0.000 1.252 27 S CB -0.859 62.321 63.200 -0.033 0.000 1.053 27 S HN 1.071 nan 8.310 nan 0.000 0.533 28 G N 3.974 112.820 108.800 0.077 0.000 2.284 28 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.201 28 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.201 28 G C 0.040 175.042 174.900 0.171 0.000 0.998 28 G CA -0.209 44.959 45.100 0.113 0.000 0.651 28 G HN 0.758 nan 8.290 nan 0.000 0.489 29 H N 0.246 119.292 119.070 -0.039 0.000 2.607 29 H HA 0.491 5.046 4.556 -0.001 0.000 0.367 29 H C 1.208 176.568 175.328 0.053 0.000 1.181 29 H CA 0.064 56.101 56.048 -0.019 0.000 1.402 29 H CB 0.881 30.601 29.762 -0.069 0.000 1.474 29 H HN 0.223 nan 8.280 nan 0.000 0.596 30 R N 0.353 120.997 120.500 0.241 0.000 2.446 30 R HA 0.125 4.464 4.340 -0.001 0.000 0.254 30 R C 0.156 176.690 176.300 0.390 0.000 0.918 30 R CA -0.021 56.267 56.100 0.314 0.000 1.069 30 R CB 0.903 31.515 30.300 0.520 0.000 1.194 30 R HN 0.241 nan 8.270 nan 0.000 0.534 31 S N 0.573 116.450 115.700 0.295 0.000 2.513 31 S HA 0.611 5.081 4.470 -0.001 0.000 0.299 31 S C -0.856 173.850 174.600 0.177 0.000 1.087 31 S CA -0.577 57.788 58.200 0.274 0.000 1.012 31 S CB 1.621 64.940 63.200 0.199 0.000 1.044 31 S HN -0.068 nan 8.310 nan 0.000 0.485 32 V N 3.570 123.598 119.914 0.189 0.000 2.638 32 V HA 0.697 4.816 4.120 -0.001 0.000 0.306 32 V C -0.702 175.469 176.094 0.128 0.000 1.052 32 V CA -0.815 61.539 62.300 0.090 0.000 0.885 32 V CB 1.752 33.633 31.823 0.096 0.000 0.999 32 V HN 0.953 nan 8.190 nan 0.000 0.424 33 S N 2.237 117.889 115.700 -0.080 0.000 2.538 33 S HA 0.797 5.267 4.470 -0.001 0.000 0.288 33 S C -1.601 172.796 174.600 -0.339 0.000 1.108 33 S CA -0.798 57.362 58.200 -0.068 0.000 0.971 33 S CB 1.525 64.699 63.200 -0.044 0.000 1.041 33 S HN 0.603 nan 8.310 nan 0.000 0.483 34 W N 1.193 122.374 121.300 -0.197 0.000 2.632 34 W HA 0.667 5.327 4.660 -0.001 0.000 0.328 34 W C -1.216 175.010 176.519 -0.488 0.000 1.044 34 W CA -0.533 56.687 57.345 -0.208 0.000 1.225 34 W CB 1.004 30.449 29.460 -0.025 0.000 1.396 34 W HN 0.626 nan 8.180 nan 0.000 0.499 35 Y N 1.179 121.605 120.300 0.211 0.000 2.462 35 Y HA 0.310 4.859 4.550 -0.001 0.000 0.346 35 Y C -0.124 175.838 175.900 0.103 0.000 0.976 35 Y CA -1.452 56.750 58.100 0.169 0.000 1.044 35 Y CB 2.192 40.834 38.460 0.302 0.000 1.230 35 Y HN 0.325 nan 8.280 nan 0.000 0.455 36 Q N 2.903 122.814 119.800 0.185 0.000 2.372 36 Q HA 0.297 4.637 4.340 -0.001 0.000 0.259 36 Q C -1.110 174.889 176.000 -0.002 0.000 0.993 36 Q CA -0.957 54.805 55.803 -0.068 0.000 0.854 36 Q CB 1.166 29.840 28.738 -0.107 0.000 1.231 36 Q HN 0.719 nan 8.270 nan 0.000 0.462 37 Q N 3.043 122.801 119.800 -0.070 0.000 2.456 37 Q HA 0.241 4.581 4.340 -0.001 0.000 0.234 37 Q C -1.368 174.600 176.000 -0.054 0.000 1.061 37 Q CA -0.154 55.626 55.803 -0.037 0.000 0.896 37 Q CB 0.743 29.462 28.738 -0.030 0.000 1.233 37 Q HN 0.606 nan 8.270 nan 0.000 0.506 38 T N 2.047 116.587 114.554 -0.023 0.000 2.807 38 T HA 0.441 4.790 4.350 -0.001 0.000 0.279 38 T C -2.097 172.604 174.700 0.001 0.000 0.993 38 T CA -1.921 60.174 62.100 -0.007 0.000 0.970 38 T CB 1.517 70.396 68.868 0.017 0.000 0.950 38 T HN 0.420 nan 8.240 nan 0.000 0.441 39 P HA 0.168 nan 4.420 nan 0.000 0.258 39 P C 0.693 178.000 177.300 0.011 0.000 1.319 39 P CA 0.128 63.230 63.100 0.003 0.000 0.785 39 P CB -0.371 31.330 31.700 0.003 0.000 1.252 40 G N -1.910 106.900 108.800 0.017 0.000 4.803 40 G HA2 0.466 4.426 3.960 -0.001 0.000 0.266 40 G HA3 0.466 4.426 3.960 -0.001 0.000 0.266 40 G C 0.418 175.327 174.900 0.015 0.000 1.111 40 G CA 0.605 45.718 45.100 0.020 0.000 0.874 40 G HN 0.358 nan 8.290 nan 0.000 0.555 41 Q N -0.963 118.840 119.800 0.006 0.000 6.171 41 Q HA 0.506 4.846 4.340 -0.001 0.000 0.313 41 Q C 1.221 177.219 176.000 -0.003 0.000 0.820 41 Q CA 1.156 56.958 55.803 -0.002 0.000 0.723 41 Q CB -0.716 28.022 28.738 0.001 0.000 0.658 41 Q HN 2.327 nan 8.270 nan 0.000 0.704 42 G N -0.246 108.556 108.800 0.003 0.000 2.907 42 G HA2 0.414 4.374 3.960 -0.001 0.000 0.686 42 G HA3 0.414 4.374 3.960 -0.001 0.000 0.686 42 G C -0.095 174.813 174.900 0.013 0.000 1.115 42 G CA -0.105 44.992 45.100 -0.004 0.000 0.760 42 G HN 1.974 nan 8.290 nan 0.000 0.620 43 L N 0.712 121.939 121.223 0.006 0.000 4.053 43 L HA -0.153 4.187 4.340 -0.001 0.000 0.479 43 L C 0.916 177.860 176.870 0.122 0.000 0.886 43 L CA 1.466 56.327 54.840 0.034 0.000 0.766 43 L CB -0.346 41.669 42.059 -0.074 0.000 1.153 43 L HN 0.754 nan 8.230 nan 0.000 0.861 44 Q N 2.684 122.622 119.800 0.230 0.000 2.301 44 Q HA 0.366 4.706 4.340 -0.001 0.000 0.267 44 Q C -0.792 175.535 176.000 0.546 0.000 1.035 44 Q CA -0.928 55.060 55.803 0.308 0.000 0.856 44 Q CB 2.146 31.015 28.738 0.219 0.000 1.337 44 Q HN 0.506 nan 8.270 nan 0.000 0.450 45 F N 2.696 122.875 119.950 0.382 0.000 2.404 45 F HA 0.128 4.655 4.527 -0.001 0.000 0.345 45 F C -0.238 175.659 175.800 0.161 0.000 1.110 45 F CA -0.458 57.692 58.000 0.251 0.000 1.130 45 F CB 0.513 39.630 39.000 0.195 0.000 1.129 45 F HN 0.466 nan 8.300 nan 0.000 0.500 46 L N 5.031 125.573 121.223 -1.134 0.000 2.208 46 L HA 0.334 4.674 4.340 -0.001 0.000 0.196 46 L C -0.313 175.430 176.870 -1.879 0.000 1.130 46 L CA 1.188 55.139 54.840 -1.482 0.000 0.791 46 L CB -0.956 40.119 42.059 -1.640 0.000 0.969 46 L HN 0.701 nan 8.230 nan 0.000 0.468 47 F N -2.428 116.828 119.950 -1.157 0.000 2.744 47 F HA 0.566 5.092 4.527 -0.001 0.000 0.311 47 F C -0.508 175.127 175.800 -0.275 0.000 1.144 47 F CA -1.768 55.819 58.000 -0.687 0.000 0.938 47 F CB 0.694 39.469 39.000 -0.375 0.000 1.292 47 F HN -0.132 nan 8.300 nan 0.000 0.444 48 E N 0.707 120.987 120.200 0.133 0.000 2.238 48 E HA 0.514 4.864 4.350 -0.001 0.000 0.267 48 E C -2.201 174.259 176.600 -0.233 0.000 0.887 48 E CA -0.622 55.830 56.400 0.087 0.000 0.769 48 E CB 2.367 32.193 29.700 0.210 0.000 1.187 48 E HN 0.702 nan 8.360 nan 0.000 0.416 49 Y N 2.178 122.595 120.300 0.195 0.000 2.442 49 Y HA 0.554 5.104 4.550 -0.001 0.000 0.344 49 Y C -0.678 175.352 175.900 0.217 0.000 0.976 49 Y CA -0.965 57.224 58.100 0.149 0.000 1.040 49 Y CB 1.858 40.359 38.460 0.068 0.000 1.228 49 Y HN 0.405 nan 8.280 nan 0.000 0.451 50 F N 1.044 121.100 119.950 0.177 0.000 2.615 50 F HA 0.318 4.844 4.527 -0.001 0.000 0.312 50 F C 0.216 176.071 175.800 0.092 0.000 1.119 50 F CA -0.862 57.205 58.000 0.111 0.000 0.979 50 F CB 1.845 40.890 39.000 0.074 0.000 1.266 50 F HN 0.507 nan 8.300 nan 0.000 0.444 51 N N 3.925 122.086 118.700 -0.898 0.000 2.721 51 N HA -0.226 4.514 4.740 -0.001 0.000 0.249 51 N C -0.192 175.176 175.510 -0.237 0.000 1.072 51 N CA 1.564 54.213 53.050 -0.668 0.000 0.710 51 N CB -1.650 36.382 38.487 -0.757 0.000 0.993 51 N HN 1.241 nan 8.380 nan 0.000 0.547 52 E N -3.209 116.917 120.200 -0.123 0.000 2.197 52 E HA -0.339 4.010 4.350 -0.001 0.000 0.184 52 E C 0.325 176.937 176.600 0.020 0.000 1.439 52 E CA 1.538 57.909 56.400 -0.048 0.000 0.688 52 E CB -2.412 27.225 29.700 -0.106 0.000 1.090 52 E HN 0.958 nan 8.360 nan 0.000 0.341 53 T N -2.615 112.017 114.554 0.129 0.000 3.057 53 T HA 0.032 4.381 4.350 -0.001 0.000 0.254 53 T C 0.640 175.435 174.700 0.157 0.000 0.965 53 T CA 0.264 62.434 62.100 0.117 0.000 0.978 53 T CB 0.505 69.425 68.868 0.086 0.000 1.169 53 T HN 0.421 nan 8.240 nan 0.000 0.489 54 Q N 1.263 121.156 119.800 0.157 0.000 2.330 54 Q HA -0.162 4.177 4.340 -0.001 0.000 0.321 54 Q C 0.364 176.321 176.000 -0.070 0.000 1.300 54 Q CA 0.045 55.716 55.803 -0.220 0.000 0.765 54 Q CB -0.411 28.196 28.738 -0.219 0.000 0.998 54 Q HN 0.585 nan 8.270 nan 0.000 0.329 55 R N 1.336 121.829 120.500 -0.011 0.000 2.062 55 R HA 0.069 4.408 4.340 -0.001 0.000 0.231 55 R C 1.181 177.509 176.300 0.047 0.000 1.136 55 R CA 1.667 57.792 56.100 0.041 0.000 0.948 55 R CB 0.068 30.405 30.300 0.062 0.000 0.845 55 R HN 0.494 nan 8.270 nan 0.000 0.430 56 N N -0.759 117.993 118.700 0.085 0.000 2.346 56 N HA 0.127 4.867 4.740 -0.001 0.000 0.289 56 N C 0.203 175.900 175.510 0.311 0.000 1.027 56 N CA 0.023 53.178 53.050 0.175 0.000 0.864 56 N CB 1.544 40.109 38.487 0.131 0.000 1.370 56 N HN 0.068 nan 8.380 nan 0.000 0.481 57 K N 2.568 123.117 120.400 0.250 0.000 2.155 57 K HA 0.138 4.458 4.320 -0.001 0.000 0.203 57 K C 1.147 177.903 176.600 0.260 0.000 1.052 57 K CA 1.216 57.652 56.287 0.248 0.000 0.948 57 K CB -1.209 31.399 32.500 0.182 0.000 0.728 57 K HN 1.011 nan 8.250 nan 0.000 0.448 58 G N -0.030 109.044 108.800 0.456 0.000 2.698 58 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.233 58 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.233 58 G C 0.045 175.068 174.900 0.205 0.000 1.352 58 G CA 0.022 45.408 45.100 0.476 0.000 0.879 58 G HN 0.619 nan 8.290 nan 0.000 0.567 59 N N -1.059 117.704 118.700 0.105 0.000 2.471 59 N HA 0.679 5.418 4.740 -0.001 0.000 0.290 59 N C 0.586 176.072 175.510 -0.039 0.000 1.345 59 N CA 0.620 53.601 53.050 -0.115 0.000 0.920 59 N CB -0.197 38.041 38.487 -0.414 0.000 1.093 59 N HN 0.920 nan 8.380 nan 0.000 0.499 60 F N -1.913 117.932 119.950 -0.176 0.000 2.182 60 F HA -0.184 4.343 4.527 -0.001 0.000 0.323 60 F C -1.911 173.853 175.800 -0.060 0.000 1.276 60 F CA -0.710 57.133 58.000 -0.262 0.000 0.933 60 F CB -1.326 37.291 39.000 -0.639 0.000 4.109 60 F HN 0.399 nan 8.300 nan 0.000 0.171 61 P HA 0.427 nan 4.420 nan 0.000 0.297 61 P C 0.336 177.810 177.300 0.290 0.000 1.307 61 P CA 0.191 63.429 63.100 0.229 0.000 0.773 61 P CB 0.539 32.363 31.700 0.206 0.000 1.265 65 F N 3.540 123.521 119.950 0.051 0.000 2.404 65 F HA 0.594 5.121 4.527 -0.001 0.000 0.345 65 F C 0.562 176.450 175.800 0.147 0.000 1.110 65 F CA -0.115 57.914 58.000 0.049 0.000 1.130 65 F CB 1.706 40.686 39.000 -0.033 0.000 1.129 65 F HN 0.055 nan 8.300 nan 0.000 0.500 66 S N 0.706 116.539 115.700 0.223 0.000 2.607 66 S HA 0.979 5.449 4.470 -0.001 0.000 0.273 66 S C -0.557 173.869 174.600 -0.291 0.000 1.148 66 S CA -0.845 57.367 58.200 0.019 0.000 0.833 66 S CB 1.881 65.050 63.200 -0.051 0.000 1.130 66 S HN 0.977 nan 8.310 nan 0.000 0.470 67 G N -0.184 108.276 108.800 -0.567 0.000 2.600 67 G HA2 0.796 4.755 3.960 -0.001 0.000 0.293 67 G HA3 0.796 4.755 3.960 -0.001 0.000 0.293 67 G C -1.746 172.736 174.900 -0.696 0.000 1.408 67 G CA -0.859 43.806 45.100 -0.726 0.000 0.782 67 G HN 1.083 nan 8.290 nan 0.000 0.482 68 R N -0.788 119.088 120.500 -1.040 0.000 2.687 68 R HA 0.643 4.982 4.340 -0.001 0.000 0.265 68 R C -1.723 173.815 176.300 -1.270 0.000 1.048 68 R CA -0.806 54.600 56.100 -1.157 0.000 0.884 68 R CB 1.329 31.159 30.300 -0.783 0.000 1.258 68 R HN 0.635 nan 8.270 nan 0.000 0.469 69 Q N 2.270 121.441 119.800 -1.048 0.000 2.306 69 Q HA 0.451 4.791 4.340 -0.001 0.000 0.265 69 Q C -1.341 174.328 176.000 -0.551 0.000 1.022 69 Q CA -0.812 54.616 55.803 -0.625 0.000 0.853 69 Q CB 1.178 29.758 28.738 -0.263 0.000 1.327 69 Q HN 0.493 nan 8.270 nan 0.000 0.449 70 F N -0.295 119.579 119.950 -0.126 0.000 2.377 70 F HA 0.206 4.733 4.527 -0.001 0.000 0.335 70 F C 1.800 177.554 175.800 -0.077 0.000 1.099 70 F CA -0.018 57.925 58.000 -0.096 0.000 1.072 70 F CB 0.902 39.854 39.000 -0.079 0.000 1.417 70 F HN 0.764 nan 8.300 nan 0.000 0.495 71 S N -0.212 115.590 115.700 0.170 0.000 2.382 71 S HA -0.223 4.247 4.470 -0.001 0.000 0.228 71 S C 1.030 175.651 174.600 0.035 0.000 1.027 71 S CA 1.442 59.674 58.200 0.054 0.000 0.991 71 S CB -1.270 61.951 63.200 0.035 0.000 0.823 71 S HN 0.761 nan 8.310 nan 0.000 0.469 72 N N 0.889 119.623 118.700 0.058 0.000 2.449 72 N HA 0.080 4.819 4.740 -0.001 0.000 0.191 72 N C 0.854 176.393 175.510 0.048 0.000 1.161 72 N CA 0.615 53.687 53.050 0.036 0.000 0.863 72 N CB 0.054 38.553 38.487 0.019 0.000 0.980 72 N HN 0.670 nan 8.380 nan 0.000 0.458 73 S N -1.032 114.704 115.700 0.059 0.000 1.860 73 S HA -0.310 4.160 4.470 -0.001 0.000 0.241 73 S C 0.497 175.147 174.600 0.082 0.000 1.007 73 S CA 0.198 58.434 58.200 0.060 0.000 1.412 73 S CB -1.671 61.568 63.200 0.065 0.000 1.757 73 S HN 0.608 nan 8.310 nan 0.000 0.547 74 R N 2.085 122.653 120.500 0.113 0.000 2.767 74 R HA 0.373 4.713 4.340 -0.001 0.000 0.264 74 R C 0.073 176.473 176.300 0.167 0.000 0.987 74 R CA 1.306 57.497 56.100 0.152 0.000 1.114 74 R CB 0.071 30.480 30.300 0.181 0.000 0.976 74 R HN 0.564 nan 8.270 nan 0.000 0.437 75 S N 0.572 116.379 115.700 0.178 0.000 2.579 75 S HA 0.387 4.856 4.470 -0.001 0.000 0.272 75 S C -1.772 172.944 174.600 0.193 0.000 1.141 75 S CA -0.823 57.439 58.200 0.103 0.000 0.843 75 S CB 1.599 64.924 63.200 0.208 0.000 1.122 75 S HN 0.641 nan 8.310 nan 0.000 0.468 76 E N 1.794 121.973 120.200 -0.036 0.000 2.293 76 E HA 0.431 4.781 4.350 -0.001 0.000 0.270 76 E C -1.218 175.144 176.600 -0.398 0.000 0.879 76 E CA -0.552 55.783 56.400 -0.109 0.000 0.756 76 E CB 2.375 32.045 29.700 -0.051 0.000 1.208 76 E HN 0.651 nan 8.360 nan 0.000 0.428 77 M N 3.488 122.722 119.600 -0.610 0.000 2.321 77 M HA 0.415 4.894 4.480 -0.001 0.000 0.315 77 M C -1.767 174.248 176.300 -0.475 0.000 1.052 77 M CA -0.583 54.278 55.300 -0.731 0.000 0.936 77 M CB 1.440 33.210 32.600 -1.384 0.000 1.639 77 M HN 0.381 nan 8.290 nan 0.000 0.433 78 N N 4.433 122.932 118.700 -0.335 0.000 2.314 78 N HA 0.572 5.312 4.740 -0.001 0.000 0.294 78 N C -1.911 173.412 175.510 -0.312 0.000 1.029 78 N CA -0.365 52.511 53.050 -0.290 0.000 0.845 78 N CB 2.282 40.638 38.487 -0.218 0.000 1.321 78 N HN 0.617 nan 8.380 nan 0.000 0.481 79 V N 0.731 120.406 119.914 -0.398 0.000 2.409 79 V HA 0.629 4.749 4.120 -0.001 0.000 0.291 79 V C 0.156 176.033 176.094 -0.361 0.000 1.020 79 V CA -0.768 61.195 62.300 -0.562 0.000 0.848 79 V CB 0.849 32.230 31.823 -0.735 0.000 0.990 79 V HN 0.549 nan 8.190 nan 0.000 0.430 80 S N 3.068 118.587 115.700 -0.303 0.000 2.585 80 S HA 0.559 5.028 4.470 -0.001 0.000 0.277 80 S C 0.557 175.073 174.600 -0.140 0.000 1.241 80 S CA 0.156 58.252 58.200 -0.173 0.000 1.041 80 S CB 1.223 64.356 63.200 -0.113 0.000 0.987 80 S HN 1.869 nan 8.310 nan 0.000 0.512 81 T N 0.399 114.902 114.554 -0.086 0.000 2.528 81 T HA -0.210 4.140 4.350 -0.001 0.000 0.498 81 T C 0.070 174.740 174.700 -0.050 0.000 0.801 81 T CA 0.032 62.103 62.100 -0.048 0.000 2.620 81 T CB -1.970 66.885 68.868 -0.021 0.000 1.643 81 T HN 0.462 nan 8.240 nan 0.000 0.454 82 L N 1.633 122.824 121.223 -0.053 0.000 2.483 82 L HA 0.333 4.672 4.340 -0.001 0.000 0.277 82 L C 1.227 178.111 176.870 0.024 0.000 1.248 82 L CA 0.251 55.072 54.840 -0.032 0.000 0.825 82 L CB 0.132 42.180 42.059 -0.018 0.000 1.096 82 L HN 0.673 nan 8.230 nan 0.000 0.512 83 E N 0.439 120.676 120.200 0.062 0.000 2.393 83 E HA 0.217 4.567 4.350 -0.001 0.000 0.273 83 E C 0.198 176.865 176.600 0.111 0.000 0.918 83 E CA -0.856 55.597 56.400 0.088 0.000 0.773 83 E CB 1.805 31.571 29.700 0.110 0.000 1.275 83 E HN 0.299 nan 8.360 nan 0.000 0.451 84 L N 0.769 122.057 121.223 0.109 0.000 2.131 84 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 84 L C 1.793 178.746 176.870 0.139 0.000 1.092 84 L CA 1.705 56.620 54.840 0.125 0.000 0.759 84 L CB -0.367 41.761 42.059 0.116 0.000 0.903 84 L HN 0.719 nan 8.230 nan 0.000 0.435 85 G N -1.188 107.694 108.800 0.137 0.000 3.471 85 G HA2 0.053 4.013 3.960 -0.001 0.000 0.254 85 G HA3 0.053 4.013 3.960 -0.001 0.000 0.254 85 G C 0.263 175.279 174.900 0.192 0.000 1.199 85 G CA -0.042 45.145 45.100 0.146 0.000 1.683 85 G HN 0.255 nan 8.290 nan 0.000 0.625 86 D N -0.649 119.877 120.400 0.211 0.000 2.510 86 D HA 0.035 4.674 4.640 -0.001 0.000 0.234 86 D C 0.572 177.056 176.300 0.306 0.000 1.178 86 D CA -0.012 54.168 54.000 0.299 0.000 0.816 86 D CB 0.661 41.632 40.800 0.285 0.000 1.143 86 D HN 0.129 nan 8.370 nan 0.000 0.526 87 S N 1.146 116.979 115.700 0.222 0.000 2.498 87 S HA 0.515 4.985 4.470 -0.001 0.000 0.281 87 S C 0.404 175.097 174.600 0.155 0.000 1.265 87 S CA -0.073 58.254 58.200 0.212 0.000 1.071 87 S CB 1.488 64.784 63.200 0.161 0.000 0.894 87 S HN 0.368 nan 8.310 nan 0.000 0.491 88 A N 2.844 125.754 122.820 0.149 0.000 5.168 88 A HA 0.793 5.113 4.320 -0.001 0.000 0.202 88 A C -1.462 176.117 177.584 -0.008 0.000 0.857 88 A CA -0.659 51.359 52.037 -0.031 0.000 0.757 88 A CB 0.623 19.430 19.000 -0.321 0.000 1.957 88 A HN 0.687 nan 8.150 nan 0.000 0.959 89 L N 0.950 122.088 121.223 -0.142 0.000 2.457 89 L HA 0.419 4.759 4.340 -0.001 0.000 0.259 89 L C -1.726 175.125 176.870 -0.031 0.000 1.377 89 L CA -0.466 54.366 54.840 -0.013 0.000 0.887 89 L CB 0.467 42.528 42.059 0.003 0.000 1.085 89 L HN 0.695 nan 8.230 nan 0.000 0.509 90 Y N 2.835 123.230 120.300 0.157 0.000 2.745 90 Y HA 0.082 4.632 4.550 -0.001 0.000 0.335 90 Y C 0.404 176.477 175.900 0.288 0.000 1.212 90 Y CA 0.588 58.836 58.100 0.247 0.000 1.535 90 Y CB 0.293 38.901 38.460 0.246 0.000 1.220 90 Y HN 0.376 nan 8.280 nan 0.000 0.531 91 L N 3.780 125.239 121.223 0.393 0.000 2.334 91 L HA 0.570 4.909 4.340 -0.001 0.000 0.272 91 L C -0.575 176.363 176.870 0.113 0.000 1.020 91 L CA -0.846 54.184 54.840 0.317 0.000 0.812 91 L CB 1.684 44.025 42.059 0.470 0.000 1.264 91 L HN 0.691 nan 8.230 nan 0.000 0.439 92 c N 2.655 121.175 118.600 -0.133 0.000 2.431 92 c HA 0.881 5.451 4.570 -0.001 0.000 0.321 92 c C -0.185 173.654 174.090 -0.419 0.000 1.202 92 c CA -0.392 55.603 56.329 -0.556 0.000 1.398 92 c CB 0.502 42.476 42.510 -0.894 0.000 2.047 92 c HN 0.866 nan 8.230 nan 0.000 0.465 93 A N 4.516 127.035 122.820 -0.502 0.000 2.355 93 A HA 0.905 5.224 4.320 -0.001 0.000 0.317 93 A C -0.169 177.310 177.584 -0.175 0.000 1.094 93 A CA -0.093 51.676 52.037 -0.447 0.000 0.764 93 A CB 1.439 19.922 19.000 -0.863 0.000 1.230 93 A HN 1.654 nan 8.150 nan 0.000 0.448 94 S N 0.878 116.583 115.700 0.008 0.000 2.638 94 S HA 0.938 5.408 4.470 -0.001 0.000 0.302 94 S C -0.336 174.539 174.600 0.459 0.000 1.096 94 S CA 0.152 58.441 58.200 0.147 0.000 0.953 94 S CB 1.623 64.814 63.200 -0.016 0.000 1.107 94 S HN 2.230 nan 8.310 nan 0.000 0.503 95 S N 0.743 116.697 115.700 0.423 0.000 2.565 95 S HA 0.356 4.826 4.470 -0.001 0.000 0.274 95 S C 0.161 174.704 174.600 -0.096 0.000 1.144 95 S CA -0.991 57.310 58.200 0.169 0.000 0.849 95 S CB 0.325 63.663 63.200 0.230 0.000 1.103 95 S HN 0.596 nan 8.310 nan 0.000 0.455 96 L N 1.303 122.323 121.223 -0.339 0.000 2.549 96 L HA 0.044 4.383 4.340 -0.001 0.000 0.230 96 L C 2.118 178.930 176.870 -0.097 0.000 1.162 96 L CA 1.592 56.303 54.840 -0.215 0.000 0.834 96 L CB -1.870 40.057 42.059 -0.218 0.000 0.947 96 L HN 1.392 nan 8.230 nan 0.000 0.452 97 A N -0.803 121.950 122.820 -0.112 0.000 2.861 97 A HA -0.283 4.036 4.320 -0.001 0.000 0.261 97 A C 1.200 178.632 177.584 -0.252 0.000 1.351 97 A CA 1.295 53.178 52.037 -0.257 0.000 0.904 97 A CB -1.521 17.171 19.000 -0.512 0.000 1.076 97 A HN 0.415 nan 8.150 nan 0.000 0.729 98 D N -0.234 120.084 120.400 -0.137 0.000 2.096 98 D HA 0.099 4.739 4.640 -0.001 0.000 0.214 98 D C 1.097 177.344 176.300 -0.088 0.000 0.974 98 D CA 1.007 54.948 54.000 -0.098 0.000 0.890 98 D CB -0.267 40.497 40.800 -0.060 0.000 1.016 98 D HN 0.632 nan 8.370 nan 0.000 0.447 99 R N 0.446 120.911 120.500 -0.059 0.000 2.547 99 R HA 0.066 4.406 4.340 -0.001 0.000 0.269 99 R C -0.346 175.921 176.300 -0.055 0.000 0.968 99 R CA 0.014 56.086 56.100 -0.046 0.000 1.101 99 R CB -0.036 30.247 30.300 -0.029 0.000 0.898 99 R HN -0.058 nan 8.270 nan 0.000 0.416 100 V N 4.476 124.364 119.914 -0.044 0.000 2.572 100 V HA 0.110 4.230 4.120 -0.001 0.000 0.291 100 V C 0.074 176.144 176.094 -0.040 0.000 1.039 100 V CA -0.661 61.613 62.300 -0.043 0.000 1.055 100 V CB 0.129 31.933 31.823 -0.032 0.000 0.969 100 V HN 0.892 nan 8.190 nan 0.000 0.482 101 N N 1.778 120.453 118.700 -0.043 0.000 4.145 101 N HA -0.140 4.599 4.740 -0.001 0.000 0.312 101 N C -0.173 175.315 175.510 -0.037 0.000 2.209 101 N CA 0.598 53.624 53.050 -0.039 0.000 2.838 101 N CB -0.553 37.914 38.487 -0.033 0.000 0.342 101 N HN 0.892 nan 8.380 nan 0.000 0.637 102 T N 2.963 117.497 114.554 -0.033 0.000 2.928 102 T HA 0.115 4.464 4.350 -0.001 0.000 0.305 102 T C 0.939 175.632 174.700 -0.010 0.000 1.035 102 T CA -0.013 62.076 62.100 -0.018 0.000 1.145 102 T CB 1.091 69.956 68.868 -0.007 0.000 0.963 102 T HN 0.226 nan 8.240 nan 0.000 0.545 107 F N 1.816 121.807 119.950 0.068 0.000 2.404 107 F HA 0.734 5.260 4.527 -0.001 0.000 0.339 107 F C 0.179 176.002 175.800 0.037 0.000 1.105 107 F CA -0.560 57.514 58.000 0.125 0.000 1.087 107 F CB 1.169 40.246 39.000 0.128 0.000 1.143 107 F HN 0.477 nan 8.300 nan 0.000 0.491 108 F N 0.792 120.831 119.950 0.148 0.000 2.440 108 F HA 0.690 5.217 4.527 -0.001 0.000 0.328 108 F C 0.796 176.628 175.800 0.054 0.000 1.070 108 F CA -0.713 57.334 58.000 0.079 0.000 1.011 108 F CB 1.417 40.434 39.000 0.028 0.000 1.226 108 F HN 0.478 nan 8.300 nan 0.000 0.491 109 G N 0.218 109.129 108.800 0.185 0.000 2.537 109 G HA2 0.347 4.307 3.960 -0.001 0.000 0.323 109 G HA3 0.347 4.307 3.960 -0.001 0.000 0.323 109 G C -0.120 174.845 174.900 0.108 0.000 1.207 109 G CA -0.405 44.751 45.100 0.093 0.000 0.976 109 G HN 0.510 nan 8.290 nan 0.000 0.487 110 Q N -0.567 119.267 119.800 0.056 0.000 2.443 110 Q HA 0.218 4.558 4.340 -0.001 0.000 0.213 110 Q C 1.479 177.497 176.000 0.029 0.000 0.982 110 Q CA 1.340 57.165 55.803 0.037 0.000 0.894 110 Q CB -0.596 28.146 28.738 0.006 0.000 0.947 110 Q HN 1.405 nan 8.270 nan 0.000 0.480 111 G N -0.649 108.179 108.800 0.046 0.000 2.819 111 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.682 111 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.682 111 G C -0.314 174.587 174.900 0.002 0.000 1.481 111 G CA -0.168 44.977 45.100 0.075 0.000 0.904 111 G HN 0.514 nan 8.290 nan 0.000 0.563 112 T N -1.814 112.778 114.554 0.065 0.000 2.779 112 T HA 0.657 5.007 4.350 -0.001 0.000 0.280 112 T C 0.169 174.860 174.700 -0.015 0.000 0.987 112 T CA -0.656 61.408 62.100 -0.061 0.000 0.966 112 T CB 1.905 70.768 68.868 -0.007 0.000 0.933 112 T HN 0.848 nan 8.240 nan 0.000 0.442 113 R N 2.996 123.372 120.500 -0.206 0.000 2.316 113 R HA 0.356 4.696 4.340 -0.001 0.000 0.314 113 R C 0.612 176.989 176.300 0.128 0.000 1.069 113 R CA -0.963 55.145 56.100 0.012 0.000 0.959 113 R CB -0.022 30.318 30.300 0.068 0.000 0.987 113 R HN 0.667 nan 8.270 nan 0.000 0.446 114 L N 2.957 124.350 121.223 0.283 0.000 2.040 114 L HA 0.359 4.699 4.340 -0.001 0.000 0.208 114 L C -0.419 176.666 176.870 0.357 0.000 1.186 114 L CA 1.545 56.556 54.840 0.285 0.000 1.017 114 L CB -0.763 41.518 42.059 0.371 0.000 1.011 114 L HN 0.858 nan 8.230 nan 0.000 0.561 115 T N -0.728 113.997 114.554 0.286 0.000 0.787 115 T HA -0.123 4.227 4.350 -0.001 0.000 0.750 115 T C -0.538 174.290 174.700 0.214 0.000 0.987 115 T CA 0.557 62.789 62.100 0.221 0.000 3.957 115 T CB -1.482 67.494 68.868 0.180 0.000 2.240 115 T HN 0.476 nan 8.240 nan 0.000 0.395 116 V N 4.342 124.369 119.914 0.189 0.000 2.205 116 V HA 0.671 4.790 4.120 -0.001 0.000 0.263 116 V C 0.842 177.046 176.094 0.183 0.000 1.138 116 V CA 0.151 62.550 62.300 0.164 0.000 1.059 116 V CB 0.143 32.045 31.823 0.132 0.000 1.232 116 V HN 1.225 nan 8.190 nan 0.000 0.469 117 V N 4.600 124.651 119.914 0.230 0.000 2.555 117 V HA 0.300 4.419 4.120 -0.001 0.000 0.299 117 V C 1.561 177.758 176.094 0.172 0.000 1.012 117 V CA 1.508 63.968 62.300 0.266 0.000 1.180 117 V CB -0.559 31.464 31.823 0.334 0.000 0.887 117 V HN 1.034 nan 8.190 nan 0.000 0.476 118 E N 3.674 123.961 120.200 0.146 0.000 2.113 118 E HA -0.236 4.113 4.350 -0.001 0.000 0.210 118 E C 1.021 177.675 176.600 0.089 0.000 1.040 118 E CA 2.146 58.607 56.400 0.101 0.000 0.847 118 E CB -0.103 29.644 29.700 0.079 0.000 0.755 118 E HN 1.112 nan 8.360 nan 0.000 0.459 119 D N -1.293 119.161 120.400 0.090 0.000 2.896 119 D HA 0.197 4.836 4.640 -0.001 0.000 0.241 119 D C 0.754 177.128 176.300 0.123 0.000 1.188 119 D CA -0.610 53.446 54.000 0.093 0.000 0.879 119 D CB 1.337 42.180 40.800 0.071 0.000 1.553 119 D HN 0.051 nan 8.370 nan 0.000 0.515 120 L N 3.412 124.727 121.223 0.152 0.000 2.270 120 L HA -0.170 4.170 4.340 -0.001 0.000 0.217 120 L C 1.636 178.680 176.870 0.289 0.000 1.107 120 L CA 1.443 56.403 54.840 0.199 0.000 0.772 120 L CB -0.149 42.051 42.059 0.236 0.000 0.902 120 L HN 0.480 nan 8.230 nan 0.000 0.439 121 K N -0.882 119.686 120.400 0.279 0.000 2.439 121 K HA -0.058 4.262 4.320 -0.001 0.000 0.197 121 K C 1.292 177.981 176.600 0.148 0.000 1.041 121 K CA 0.408 56.876 56.287 0.301 0.000 0.970 121 K CB -0.081 32.494 32.500 0.126 0.000 0.773 121 K HN 0.383 nan 8.250 nan 0.000 0.479 122 N N 1.244 120.017 118.700 0.122 0.000 2.515 122 N HA -0.033 4.707 4.740 -0.001 0.000 0.185 122 N C -0.062 175.554 175.510 0.176 0.000 1.109 122 N CA 0.423 53.534 53.050 0.102 0.000 0.903 122 N CB 0.222 38.633 38.487 -0.126 0.000 0.969 122 N HN -0.043 nan 8.380 nan 0.000 0.450 123 V N 2.157 122.104 119.914 0.055 0.000 2.427 123 V HA 0.253 4.373 4.120 -0.001 0.000 0.268 123 V C -0.169 175.814 176.094 -0.185 0.000 1.046 123 V CA 0.056 62.417 62.300 0.102 0.000 0.970 123 V CB -0.548 31.272 31.823 -0.006 0.000 1.001 123 V HN -0.064 nan 8.190 nan 0.000 0.476 124 F N 5.531 125.605 119.950 0.207 0.000 2.629 124 F HA 0.721 5.247 4.527 -0.001 0.000 0.316 124 F C -2.567 173.142 175.800 -0.151 0.000 1.081 124 F CA -2.394 55.654 58.000 0.081 0.000 0.954 124 F CB 2.658 41.695 39.000 0.061 0.000 1.337 124 F HN 0.297 nan 8.300 nan 0.000 0.474 125 P HA 0.476 nan 4.420 nan 0.000 0.287 125 P C -2.752 174.414 177.300 -0.223 0.000 1.290 125 P CA -1.921 60.881 63.100 -0.497 0.000 0.889 125 P CB 1.114 32.709 31.700 -0.174 0.000 1.190 126 P HA 0.176 nan 4.420 nan 0.000 0.272 126 P C -0.506 176.797 177.300 0.004 0.000 1.254 126 P CA 0.233 63.296 63.100 -0.062 0.000 0.795 126 P CB 0.260 31.817 31.700 -0.239 0.000 1.022 127 E N 0.009 120.248 120.200 0.065 0.000 3.303 127 E HA 0.221 4.570 4.350 -0.001 0.000 0.215 127 E C -1.265 175.366 176.600 0.051 0.000 1.181 127 E CA -0.337 56.094 56.400 0.052 0.000 0.998 127 E CB -0.516 29.227 29.700 0.070 0.000 1.312 127 E HN -0.035 nan 8.360 nan 0.000 0.412 128 V N 2.550 122.468 119.914 0.007 0.000 2.382 128 V HA 0.349 4.469 4.120 -0.001 0.000 0.250 128 V C 0.456 176.544 176.094 -0.010 0.000 1.069 128 V CA 0.438 62.733 62.300 -0.010 0.000 1.130 128 V CB -0.311 31.476 31.823 -0.061 0.000 1.165 128 V HN 0.581 nan 8.190 nan 0.000 0.483 129 A N 5.256 128.096 122.820 0.033 0.000 2.354 129 A HA 0.911 5.231 4.320 -0.001 0.000 0.321 129 A C -0.751 176.838 177.584 0.007 0.000 1.125 129 A CA -0.608 51.410 52.037 -0.032 0.000 0.799 129 A CB 1.955 20.908 19.000 -0.079 0.000 1.293 129 A HN 0.480 nan 8.150 nan 0.000 0.452 130 V N 1.117 120.973 119.914 -0.098 0.000 2.540 130 V HA 0.478 4.597 4.120 -0.001 0.000 0.302 130 V C -1.421 174.642 176.094 -0.052 0.000 1.035 130 V CA -0.269 62.065 62.300 0.057 0.000 0.873 130 V CB 1.221 33.089 31.823 0.075 0.000 0.992 130 V HN 0.670 nan 8.190 nan 0.000 0.428 131 F N 2.173 122.191 119.950 0.114 0.000 2.385 131 F HA 0.446 4.973 4.527 -0.001 0.000 0.360 131 F C 0.626 176.461 175.800 0.059 0.000 1.122 131 F CA -0.752 57.294 58.000 0.078 0.000 1.090 131 F CB 1.084 40.119 39.000 0.057 0.000 1.150 131 F HN 0.538 nan 8.300 nan 0.000 0.472 132 E N 5.370 125.664 120.200 0.157 0.000 2.415 132 E HA 0.092 4.442 4.350 -0.001 0.000 0.262 132 E C -2.092 174.433 176.600 -0.124 0.000 1.038 132 E CA -1.518 54.900 56.400 0.029 0.000 0.921 132 E CB 0.497 30.253 29.700 0.094 0.000 0.950 132 E HN 0.262 nan 8.360 nan 0.000 0.438 133 P HA -0.043 nan 4.420 nan 0.000 0.268 133 P C -0.385 176.709 177.300 -0.343 0.000 1.205 133 P CA -0.149 62.669 63.100 -0.470 0.000 0.771 133 P CB 1.456 32.648 31.700 -0.847 0.000 0.858 134 S N 1.410 116.990 115.700 -0.199 0.000 2.641 134 S HA 0.225 4.694 4.470 -0.001 0.000 0.251 134 S C 1.498 176.038 174.600 -0.100 0.000 1.332 134 S CA 0.803 58.941 58.200 -0.104 0.000 0.968 134 S CB 0.031 63.192 63.200 -0.064 0.000 0.987 134 S HN 0.623 nan 8.310 nan 0.000 0.587 135 E N -0.709 119.475 120.200 -0.027 0.000 2.508 135 E HA 0.502 4.852 4.350 -0.001 0.000 0.217 135 E C 1.701 178.312 176.600 0.019 0.000 0.896 135 E CA 0.736 57.144 56.400 0.012 0.000 1.118 135 E CB -0.832 28.898 29.700 0.049 0.000 1.133 135 E HN 0.787 nan 8.360 nan 0.000 0.526 136 A N 1.182 124.009 122.820 0.013 0.000 1.840 136 A HA 0.205 4.524 4.320 -0.001 0.000 0.214 136 A C 2.521 180.130 177.584 0.042 0.000 1.198 136 A CA 2.335 54.391 52.037 0.031 0.000 0.608 136 A CB -0.801 18.215 19.000 0.027 0.000 0.839 136 A HN 0.717 nan 8.150 nan 0.000 0.443 137 E N -0.080 120.120 120.200 0.000 0.000 2.268 137 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 137 E C 1.618 178.200 176.600 -0.030 0.000 0.995 137 E CA 1.389 57.772 56.400 -0.029 0.000 0.836 137 E CB -0.627 29.026 29.700 -0.077 0.000 0.763 137 E HN 0.535 nan 8.360 nan 0.000 0.491 138 I N 0.730 121.284 120.570 -0.026 0.000 2.333 138 I HA -0.096 4.073 4.170 -0.001 0.000 0.246 138 I C 2.693 178.831 176.117 0.035 0.000 1.106 138 I CA 1.577 62.869 61.300 -0.013 0.000 1.411 138 I CB -1.000 36.996 38.000 -0.007 0.000 1.082 138 I HN 0.394 nan 8.210 nan 0.000 0.420 139 S N 0.343 116.075 115.700 0.052 0.000 2.344 139 S HA -0.278 4.192 4.470 -0.001 0.000 0.217 139 S C 2.229 176.894 174.600 0.107 0.000 1.033 139 S CA 1.833 60.074 58.200 0.068 0.000 1.017 139 S CB -0.637 62.597 63.200 0.058 0.000 0.941 139 S HN 0.593 nan 8.310 nan 0.000 0.430 140 H N -0.125 118.942 119.070 -0.005 0.000 2.265 140 H HA -0.119 4.436 4.556 -0.001 0.000 0.295 140 H C 2.247 177.570 175.328 -0.008 0.000 1.084 140 H CA 2.141 58.185 56.048 -0.007 0.000 1.261 140 H CB -0.303 29.452 29.762 -0.011 0.000 1.360 140 H HN 0.654 nan 8.280 nan 0.000 0.487 141 T N -3.348 111.267 114.554 0.102 0.000 3.057 141 T HA 0.185 4.534 4.350 -0.001 0.000 0.254 141 T C 1.245 175.957 174.700 0.020 0.000 1.094 141 T CA 1.066 63.167 62.100 0.001 0.000 1.088 141 T CB 0.245 69.039 68.868 -0.123 0.000 0.934 141 T HN 0.706 nan 8.240 nan 0.000 0.497 142 Q N -1.094 118.725 119.800 0.033 0.000 2.481 142 Q HA 0.206 4.545 4.340 -0.001 0.000 0.283 142 Q C 0.182 176.190 176.000 0.014 0.000 1.292 142 Q CA 1.880 57.702 55.803 0.032 0.000 0.819 142 Q CB -2.937 25.822 28.738 0.035 0.000 1.202 142 Q HN 1.836 nan 8.270 nan 0.000 0.446 143 K N -1.979 118.416 120.400 -0.008 0.000 2.572 143 K HA 1.042 5.362 4.320 -0.001 0.000 0.263 143 K C -0.370 176.187 176.600 -0.072 0.000 0.932 143 K CA 0.349 56.619 56.287 -0.028 0.000 0.838 143 K CB 0.745 33.220 32.500 -0.042 0.000 1.366 143 K HN 2.026 nan 8.250 nan 0.000 0.425 144 A N 0.841 123.609 122.820 -0.086 0.000 2.295 144 A HA 0.901 5.220 4.320 -0.001 0.000 0.318 144 A C -0.019 177.450 177.584 -0.191 0.000 1.134 144 A CA -0.344 51.577 52.037 -0.194 0.000 0.827 144 A CB 0.874 19.734 19.000 -0.234 0.000 1.136 144 A HN 0.868 nan 8.150 nan 0.000 0.493 145 T N 2.171 116.579 114.554 -0.244 0.000 3.170 145 T HA 0.443 4.792 4.350 -0.001 0.000 0.315 145 T C -1.006 173.564 174.700 -0.216 0.000 0.967 145 T CA -0.238 61.736 62.100 -0.211 0.000 1.024 145 T CB 0.430 69.201 68.868 -0.162 0.000 1.018 145 T HN 0.390 nan 8.240 nan 0.000 0.449 146 L N 3.104 124.185 121.223 -0.236 0.000 2.312 146 L HA 0.620 4.960 4.340 -0.001 0.000 0.281 146 L C -0.047 176.799 176.870 -0.040 0.000 1.070 146 L CA -0.451 54.309 54.840 -0.133 0.000 0.805 146 L CB 1.339 43.304 42.059 -0.157 0.000 1.174 146 L HN 0.386 nan 8.230 nan 0.000 0.434 147 V N 2.808 122.823 119.914 0.168 0.000 2.340 147 V HA 0.230 4.350 4.120 -0.001 0.000 0.277 147 V C 0.261 176.599 176.094 0.406 0.000 1.017 147 V CA -0.608 61.821 62.300 0.215 0.000 0.820 147 V CB 1.230 33.081 31.823 0.047 0.000 1.028 147 V HN 0.973 nan 8.190 nan 0.000 0.436 148 c N 5.426 124.377 118.600 0.584 0.000 2.820 148 c HA 0.786 5.356 4.570 -0.001 0.000 0.287 148 c C 0.036 174.303 174.090 0.294 0.000 1.664 148 c CA -0.061 56.519 56.329 0.419 0.000 2.071 148 c CB 0.586 43.207 42.510 0.184 0.000 2.008 148 c HN 0.817 nan 8.230 nan 0.000 0.619 149 L N -0.069 121.286 121.223 0.220 0.000 2.789 149 L HA 0.545 4.884 4.340 -0.001 0.000 0.254 149 L C -1.067 175.899 176.870 0.159 0.000 0.952 149 L CA 0.071 55.025 54.840 0.192 0.000 0.942 149 L CB 1.374 43.575 42.059 0.236 0.000 1.502 149 L HN 0.830 nan 8.230 nan 0.000 0.425 150 A N 1.137 124.068 122.820 0.185 0.000 2.651 150 A HA 0.726 5.045 4.320 -0.001 0.000 0.290 150 A C -0.532 177.285 177.584 0.389 0.000 1.185 150 A CA -0.046 52.117 52.037 0.210 0.000 0.746 150 A CB 0.951 20.012 19.000 0.102 0.000 1.213 150 A HN 0.538 nan 8.150 nan 0.000 0.429 151 T N -1.265 113.446 114.554 0.262 0.000 2.918 151 T HA 0.674 5.024 4.350 -0.001 0.000 0.286 151 T C 0.854 175.621 174.700 0.111 0.000 1.026 151 T CA 0.071 62.271 62.100 0.166 0.000 1.031 151 T CB 1.575 70.491 68.868 0.079 0.000 1.046 151 T HN 2.281 nan 8.240 nan 0.000 0.479 152 G N 1.640 110.402 108.800 -0.064 0.000 2.225 152 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.264 152 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.264 152 G C -0.261 174.608 174.900 -0.052 0.000 1.060 152 G CA 0.243 45.265 45.100 -0.131 0.000 0.833 152 G HN 1.288 nan 8.290 nan 0.000 0.498 153 F N -1.628 118.316 119.950 -0.011 0.000 2.507 153 F HA 0.900 5.426 4.527 -0.001 0.000 0.327 153 F C -0.327 175.609 175.800 0.226 0.000 1.068 153 F CA -2.566 55.437 58.000 0.005 0.000 0.965 153 F CB 1.553 40.454 39.000 -0.164 0.000 1.192 153 F HN 0.204 nan 8.300 nan 0.000 0.476 154 Y N 2.496 123.012 120.300 0.360 0.000 2.474 154 Y HA 0.394 4.943 4.550 -0.001 0.000 0.326 154 Y C -2.879 173.315 175.900 0.491 0.000 1.160 154 Y CA -2.029 56.310 58.100 0.399 0.000 1.056 154 Y CB 2.350 40.936 38.460 0.211 0.000 1.330 154 Y HN 0.565 nan 8.280 nan 0.000 0.447 155 P HA 0.007 nan 4.420 nan 0.000 0.293 155 P C -0.113 177.248 177.300 0.103 0.000 1.298 155 P CA 0.250 63.147 63.100 -0.338 0.000 0.757 155 P CB 0.933 32.347 31.700 -0.477 0.000 1.262 156 D N -1.424 118.886 120.400 -0.150 0.000 2.379 156 D HA -0.090 4.549 4.640 -0.001 0.000 0.243 156 D C 0.000 176.404 176.300 0.173 0.000 1.088 156 D CA 0.384 54.428 54.000 0.073 0.000 0.925 156 D CB -0.567 40.053 40.800 -0.300 0.000 0.888 156 D HN 0.220 nan 8.370 nan 0.000 0.529 157 H N 0.293 119.499 119.070 0.228 0.000 3.330 157 H HA 0.146 4.702 4.556 -0.001 0.000 0.260 157 H C 0.539 175.871 175.328 0.007 0.000 1.439 157 H CA -0.061 55.978 56.048 -0.014 0.000 1.540 157 H CB -0.579 29.079 29.762 -0.172 0.000 1.698 157 H HN -0.063 nan 8.280 nan 0.000 0.516 158 V N -1.161 118.800 119.914 0.077 0.000 3.165 158 V HA 0.966 5.086 4.120 -0.001 0.000 0.309 158 V C -0.222 175.912 176.094 0.067 0.000 1.267 158 V CA -0.924 61.390 62.300 0.024 0.000 1.067 158 V CB 1.828 33.493 31.823 -0.264 0.000 1.082 158 V HN 0.552 nan 8.190 nan 0.000 0.451 159 E N 0.728 120.963 120.200 0.059 0.000 2.565 159 E HA 0.595 4.944 4.350 -0.001 0.000 0.343 159 E C -1.332 175.307 176.600 0.065 0.000 0.968 159 E CA -0.161 56.308 56.400 0.115 0.000 0.773 159 E CB 1.024 30.853 29.700 0.215 0.000 1.513 159 E HN 1.111 nan 8.360 nan 0.000 0.384 160 L N 1.440 122.695 121.223 0.054 0.000 2.479 160 L HA 0.844 5.183 4.340 -0.001 0.000 0.248 160 L C 0.512 177.422 176.870 0.066 0.000 1.205 160 L CA 0.487 55.340 54.840 0.021 0.000 0.817 160 L CB 1.239 43.318 42.059 0.033 0.000 1.162 160 L HN 1.017 nan 8.230 nan 0.000 0.486 161 S N -0.749 114.948 115.700 -0.003 0.000 2.686 161 S HA 0.346 4.816 4.470 -0.001 0.000 0.273 161 S C -2.132 172.436 174.600 -0.053 0.000 1.060 161 S CA -1.032 57.219 58.200 0.084 0.000 0.845 161 S CB 0.164 63.473 63.200 0.181 0.000 1.086 161 S HN 0.517 nan 8.310 nan 0.000 0.461 162 W N 0.189 121.508 121.300 0.032 0.000 2.781 162 W HA 0.726 5.386 4.660 -0.001 0.000 0.333 162 W C -1.716 174.776 176.519 -0.046 0.000 1.047 162 W CA -0.229 57.155 57.345 0.065 0.000 1.236 162 W CB 1.311 30.782 29.460 0.018 0.000 1.394 162 W HN 0.712 nan 8.180 nan 0.000 0.466 163 W N 2.910 124.307 121.300 0.161 0.000 2.632 163 W HA 0.719 5.378 4.660 -0.001 0.000 0.328 163 W C -0.970 175.615 176.519 0.111 0.000 1.044 163 W CA -1.034 56.364 57.345 0.089 0.000 1.225 163 W CB 1.425 30.905 29.460 0.034 0.000 1.396 163 W HN -0.123 nan 8.180 nan 0.000 0.499 164 V N 3.957 124.028 119.914 0.262 0.000 2.604 164 V HA 0.251 4.370 4.120 -0.001 0.000 0.305 164 V C -0.010 176.184 176.094 0.165 0.000 1.043 164 V CA -1.355 61.062 62.300 0.194 0.000 0.888 164 V CB 1.772 33.673 31.823 0.130 0.000 0.995 164 V HN 0.701 nan 8.190 nan 0.000 0.429 165 N N 3.421 122.202 118.700 0.135 0.000 2.677 165 N HA -0.254 4.486 4.740 -0.001 0.000 0.249 165 N C 1.104 176.691 175.510 0.129 0.000 1.073 165 N CA 1.577 54.689 53.050 0.104 0.000 0.737 165 N CB -1.113 37.418 38.487 0.074 0.000 0.999 165 N HN 1.617 nan 8.380 nan 0.000 0.543 166 G N -3.675 105.243 108.800 0.197 0.000 2.176 166 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.232 166 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.232 166 G C 0.054 175.210 174.900 0.426 0.000 0.986 166 G CA 0.992 46.245 45.100 0.254 0.000 0.643 166 G HN 1.003 nan 8.290 nan 0.000 0.522 167 K N -0.386 120.213 120.400 0.332 0.000 2.328 167 K HA 0.981 5.301 4.320 -0.001 0.000 0.246 167 K C -0.126 176.275 176.600 -0.333 0.000 0.955 167 K CA 0.683 57.033 56.287 0.105 0.000 0.817 167 K CB 0.832 33.338 32.500 0.009 0.000 1.208 167 K HN 1.732 nan 8.250 nan 0.000 0.432 168 E N 0.721 120.315 120.200 -1.011 0.000 2.217 168 E HA 0.527 4.876 4.350 -0.001 0.000 0.279 168 E C 0.504 176.587 176.600 -0.862 0.000 1.068 168 E CA 0.079 55.626 56.400 -1.421 0.000 0.882 168 E CB -0.241 28.600 29.700 -1.432 0.000 1.039 168 E HN 1.664 nan 8.360 nan 0.000 0.418 169 V N 1.596 121.146 119.914 -0.606 0.000 3.441 169 V HA 0.502 4.622 4.120 -0.001 0.000 0.300 169 V C 0.918 176.657 176.094 -0.592 0.000 1.091 169 V CA 0.531 62.593 62.300 -0.397 0.000 1.099 169 V CB 0.707 32.455 31.823 -0.125 0.000 1.138 169 V HN 1.023 nan 8.190 nan 0.000 0.471 170 H N 0.089 119.120 119.070 -0.065 0.000 1.829 170 H HA 0.110 4.665 4.556 -0.001 0.000 0.154 170 H C 1.139 176.436 175.328 -0.052 0.000 0.995 170 H CA 0.615 56.634 56.048 -0.049 0.000 0.966 170 H CB -0.121 29.611 29.762 -0.050 0.000 0.844 170 H HN 0.698 nan 8.280 nan 0.000 0.340 171 S N 0.828 116.576 115.700 0.079 0.000 2.544 171 S HA 0.307 4.776 4.470 -0.001 0.000 0.290 171 S C 1.304 175.879 174.600 -0.042 0.000 1.276 171 S CA 1.180 59.388 58.200 0.013 0.000 1.075 171 S CB -0.193 63.011 63.200 0.007 0.000 0.849 171 S HN 0.857 nan 8.310 nan 0.000 0.494 172 G N 3.116 111.885 108.800 -0.052 0.000 2.160 172 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.251 172 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.251 172 G C 0.010 174.820 174.900 -0.150 0.000 1.008 172 G CA 0.171 45.214 45.100 -0.096 0.000 0.724 172 G HN 0.978 nan 8.290 nan 0.000 0.514 173 V N 0.583 120.434 119.914 -0.105 0.000 2.612 173 V HA 0.849 4.969 4.120 -0.001 0.000 0.301 173 V C 0.484 176.551 176.094 -0.045 0.000 1.046 173 V CA 0.174 62.399 62.300 -0.125 0.000 0.946 173 V CB 1.893 33.702 31.823 -0.024 0.000 1.003 173 V HN 1.339 nan 8.190 nan 0.000 0.459 174 S N 1.340 117.028 115.700 -0.020 0.000 2.599 174 S HA 0.498 4.968 4.470 -0.001 0.000 0.269 174 S C -0.812 173.842 174.600 0.091 0.000 1.135 174 S CA -0.707 57.511 58.200 0.029 0.000 1.027 174 S CB 1.323 64.517 63.200 -0.010 0.000 1.129 174 S HN 0.633 nan 8.310 nan 0.000 0.458 175 T N 2.269 116.893 114.554 0.117 0.000 2.863 175 T HA 0.477 4.827 4.350 -0.001 0.000 0.285 175 T C -1.028 173.732 174.700 0.100 0.000 1.009 175 T CA -0.858 61.326 62.100 0.141 0.000 0.989 175 T CB 1.003 69.976 68.868 0.174 0.000 1.004 175 T HN 0.645 nan 8.240 nan 0.000 0.455 176 D N 3.910 124.367 120.400 0.096 0.000 2.570 176 D HA 0.038 4.678 4.640 -0.001 0.000 0.243 176 D C -1.521 174.823 176.300 0.073 0.000 1.171 176 D CA -1.048 52.996 54.000 0.074 0.000 0.879 176 D CB 0.782 41.627 40.800 0.076 0.000 1.143 176 D HN 0.248 nan 8.370 nan 0.000 0.511 177 P HA -0.074 nan 4.420 nan 0.000 0.228 177 P C 0.233 177.560 177.300 0.044 0.000 1.151 177 P CA 1.366 64.496 63.100 0.049 0.000 0.770 177 P CB 0.309 32.028 31.700 0.032 0.000 0.786 178 Q N -0.934 118.892 119.800 0.042 0.000 2.315 178 Q HA 0.510 4.849 4.340 -0.001 0.000 0.273 178 Q C -2.951 173.074 176.000 0.042 0.000 1.053 178 Q CA -1.770 54.049 55.803 0.028 0.000 0.817 178 Q CB 0.635 29.381 28.738 0.012 0.000 1.326 178 Q HN -0.087 nan 8.270 nan 0.000 0.423 179 P HA 0.678 nan 4.420 nan 0.000 0.333 179 P C -0.742 176.599 177.300 0.067 0.000 1.343 179 P CA -0.420 62.720 63.100 0.066 0.000 0.761 179 P CB 0.283 31.998 31.700 0.025 0.000 1.701 180 L N -6.502 114.793 121.223 0.120 0.000 2.753 180 L HA 0.621 4.960 4.340 -0.001 0.000 0.259 180 L C -0.411 176.551 176.870 0.153 0.000 0.958 180 L CA -1.255 53.657 54.840 0.121 0.000 0.955 180 L CB -0.341 41.752 42.059 0.057 0.000 1.317 180 L HN 0.137 nan 8.230 nan 0.000 0.436 181 K N 1.845 122.382 120.400 0.228 0.000 2.366 181 K HA 0.058 4.377 4.320 -0.001 0.000 0.272 181 K C 0.899 177.453 176.600 -0.076 0.000 1.151 181 K CA 1.181 57.483 56.287 0.025 0.000 1.173 181 K CB -0.682 31.863 32.500 0.074 0.000 0.853 181 K HN 0.886 nan 8.250 nan 0.000 0.473 182 E N 1.340 121.439 120.200 -0.168 0.000 2.068 182 E HA -0.242 4.108 4.350 -0.001 0.000 0.207 182 E C 0.338 176.877 176.600 -0.102 0.000 1.032 182 E CA 1.751 58.072 56.400 -0.132 0.000 0.839 182 E CB 0.146 29.740 29.700 -0.177 0.000 0.758 182 E HN 0.862 nan 8.360 nan 0.000 0.457 183 Q N 0.170 119.897 119.800 -0.122 0.000 2.788 183 Q HA 0.155 4.495 4.340 -0.001 0.000 0.278 183 Q C -2.174 173.787 176.000 -0.064 0.000 1.126 183 Q CA -1.518 54.234 55.803 -0.085 0.000 1.017 183 Q CB 1.298 29.980 28.738 -0.093 0.000 1.219 183 Q HN 0.031 nan 8.270 nan 0.000 0.503 184 P HA -0.412 nan 4.420 nan 0.000 0.229 184 P C 1.233 178.534 177.300 0.001 0.000 1.073 184 P CA 2.882 65.978 63.100 -0.006 0.000 1.022 184 P CB 0.193 31.894 31.700 0.001 0.000 0.752 185 A N -0.622 122.195 122.820 -0.006 0.000 1.859 185 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 185 A C 1.631 179.215 177.584 0.000 0.000 1.209 185 A CA 2.277 54.314 52.037 0.000 0.000 0.639 185 A CB -2.003 16.993 19.000 -0.006 0.000 0.835 185 A HN 0.387 nan 8.150 nan 0.000 0.450 186 L N 1.201 122.412 121.223 -0.020 0.000 2.927 186 L HA -0.104 4.236 4.340 -0.001 0.000 0.292 186 L C 1.323 178.192 176.870 -0.001 0.000 1.088 186 L CA 1.205 56.029 54.840 -0.028 0.000 0.969 186 L CB -1.926 40.092 42.059 -0.069 0.000 1.399 186 L HN 0.674 nan 8.230 nan 0.000 0.458 187 N N 0.741 119.452 118.700 0.018 0.000 2.659 187 N HA -0.137 4.602 4.740 -0.001 0.000 0.199 187 N C 0.046 175.614 175.510 0.096 0.000 1.116 187 N CA 1.622 54.704 53.050 0.054 0.000 0.940 187 N CB 0.048 38.565 38.487 0.050 0.000 0.962 187 N HN 0.944 nan 8.380 nan 0.000 0.451 188 D N -0.756 119.683 120.400 0.065 0.000 3.491 188 D HA 0.022 4.662 4.640 -0.001 0.000 0.240 188 D C -1.022 175.235 176.300 -0.072 0.000 1.487 188 D CA -0.180 53.915 54.000 0.158 0.000 0.936 188 D CB 0.008 40.928 40.800 0.199 0.000 1.451 188 D HN 0.077 nan 8.370 nan 0.000 0.678 189 S N 0.262 115.887 115.700 -0.126 0.000 2.624 189 S HA 0.462 4.931 4.470 -0.001 0.000 0.263 189 S C 0.842 175.140 174.600 -0.503 0.000 1.287 189 S CA -0.452 57.575 58.200 -0.289 0.000 0.990 189 S CB 1.189 64.238 63.200 -0.253 0.000 0.950 189 S HN 0.233 nan 8.310 nan 0.000 0.561 190 R N 0.106 120.322 120.500 -0.473 0.000 2.783 190 R HA 0.331 4.670 4.340 -0.001 0.000 0.276 190 R C -0.763 174.981 176.300 -0.926 0.000 1.223 190 R CA 0.004 55.800 56.100 -0.507 0.000 1.173 190 R CB 0.061 30.146 30.300 -0.358 0.000 1.157 190 R HN 0.681 nan 8.270 nan 0.000 0.600 191 Y N -1.597 118.399 120.300 -0.507 0.000 2.790 191 Y HA 0.411 4.960 4.550 -0.001 0.000 0.323 191 Y C -0.140 175.249 175.900 -0.852 0.000 1.230 191 Y CA -0.772 56.922 58.100 -0.677 0.000 1.121 191 Y CB 2.019 40.027 38.460 -0.752 0.000 1.328 191 Y HN 0.478 nan 8.280 nan 0.000 0.514 192 S N 0.057 115.581 115.700 -0.294 0.000 2.607 192 S HA 0.783 5.253 4.470 -0.001 0.000 0.273 192 S C -1.908 172.844 174.600 0.252 0.000 1.148 192 S CA -0.753 57.458 58.200 0.019 0.000 0.833 192 S CB 2.062 65.275 63.200 0.022 0.000 1.130 192 S HN 0.415 nan 8.310 nan 0.000 0.470 193 L N 2.237 123.657 121.223 0.329 0.000 2.493 193 L HA 0.839 5.179 4.340 -0.001 0.000 0.265 193 L C -0.883 176.094 176.870 0.179 0.000 0.954 193 L CA -0.491 54.504 54.840 0.259 0.000 0.844 193 L CB 1.538 43.775 42.059 0.297 0.000 1.302 193 L HN 1.058 nan 8.230 nan 0.000 0.405 194 S N 1.028 116.813 115.700 0.141 0.000 2.667 194 S HA 0.611 5.080 4.470 -0.001 0.000 0.304 194 S C -0.303 174.393 174.600 0.159 0.000 1.135 194 S CA -0.313 57.962 58.200 0.126 0.000 1.125 194 S CB 1.393 64.630 63.200 0.062 0.000 0.996 194 S HN 0.932 nan 8.310 nan 0.000 0.474 195 S N 2.830 118.679 115.700 0.248 0.000 2.713 195 S HA 0.782 5.251 4.470 -0.001 0.000 0.283 195 S C -0.315 174.512 174.600 0.380 0.000 1.161 195 S CA -0.669 57.745 58.200 0.357 0.000 0.999 195 S CB 0.801 64.340 63.200 0.565 0.000 1.039 195 S HN 0.836 nan 8.310 nan 0.000 0.548 196 R N 0.294 120.910 120.500 0.193 0.000 2.643 196 R HA 0.592 4.932 4.340 -0.001 0.000 0.269 196 R C -2.042 173.924 176.300 -0.557 0.000 1.037 196 R CA -0.755 55.271 56.100 -0.122 0.000 0.894 196 R CB 1.701 31.954 30.300 -0.078 0.000 1.238 196 R HN 0.500 nan 8.270 nan 0.000 0.459 197 L N 0.997 121.704 121.223 -0.859 0.000 2.441 197 L HA 0.746 5.085 4.340 -0.001 0.000 0.270 197 L C -1.030 175.564 176.870 -0.460 0.000 0.973 197 L CA -0.178 54.170 54.840 -0.820 0.000 0.842 197 L CB 1.638 42.903 42.059 -1.322 0.000 1.239 197 L HN 0.775 nan 8.230 nan 0.000 0.406 198 R N 3.689 124.017 120.500 -0.286 0.000 2.562 198 R HA 0.979 5.318 4.340 -0.001 0.000 0.298 198 R C -0.966 175.260 176.300 -0.122 0.000 0.961 198 R CA 0.052 56.041 56.100 -0.186 0.000 0.881 198 R CB 1.294 31.504 30.300 -0.151 0.000 1.159 198 R HN 1.270 nan 8.270 nan 0.000 0.450 199 V N -1.577 118.293 119.914 -0.073 0.000 3.182 199 V HA 0.792 4.912 4.120 -0.001 0.000 0.308 199 V C 0.354 176.452 176.094 0.006 0.000 1.240 199 V CA -0.459 61.827 62.300 -0.023 0.000 1.063 199 V CB 1.723 33.553 31.823 0.013 0.000 1.076 199 V HN 1.404 nan 8.190 nan 0.000 0.446 200 S N 0.953 116.667 115.700 0.023 0.000 2.563 200 S HA 0.318 4.788 4.470 -0.001 0.000 0.294 200 S C 1.424 176.072 174.600 0.080 0.000 1.279 200 S CA 0.208 58.430 58.200 0.037 0.000 1.069 200 S CB 0.798 64.019 63.200 0.036 0.000 0.828 200 S HN 2.182 nan 8.310 nan 0.000 0.497 201 A N 3.592 126.457 122.820 0.075 0.000 2.084 201 A HA -0.078 4.241 4.320 -0.001 0.000 0.221 201 A C 2.233 179.927 177.584 0.184 0.000 1.161 201 A CA 2.099 54.215 52.037 0.132 0.000 0.653 201 A CB -1.451 17.604 19.000 0.092 0.000 0.802 201 A HN 0.899 nan 8.150 nan 0.000 0.457 202 T N -1.556 113.067 114.554 0.115 0.000 2.896 202 T HA 0.047 4.397 4.350 -0.001 0.000 0.263 202 T C 1.811 176.563 174.700 0.086 0.000 1.050 202 T CA 1.576 63.730 62.100 0.089 0.000 1.140 202 T CB -0.555 68.346 68.868 0.055 0.000 0.877 202 T HN 0.663 nan 8.240 nan 0.000 0.457 203 F N 0.618 120.628 119.950 0.100 0.000 2.171 203 F HA 0.035 4.561 4.527 -0.001 0.000 0.300 203 F C 2.439 178.314 175.800 0.125 0.000 1.090 203 F CA 1.293 59.347 58.000 0.090 0.000 1.293 203 F CB -1.140 37.912 39.000 0.086 0.000 1.013 203 F HN 0.544 nan 8.300 nan 0.000 0.486 204 W N 1.247 122.552 121.300 0.008 0.000 2.409 204 W HA -0.118 4.541 4.660 -0.001 0.000 0.299 204 W C 1.201 177.732 176.519 0.019 0.000 1.203 204 W CA 1.450 58.804 57.345 0.015 0.000 1.298 204 W CB -0.564 28.903 29.460 0.011 0.000 1.127 204 W HN 0.425 nan 8.180 nan 0.000 0.528 205 Q N 1.289 121.027 119.800 -0.103 0.000 2.319 205 Q HA -0.071 4.269 4.340 -0.001 0.000 0.217 205 Q C -0.573 175.317 176.000 -0.185 0.000 0.924 205 Q CA 0.220 55.898 55.803 -0.208 0.000 0.964 205 Q CB -0.684 28.064 28.738 0.015 0.000 1.025 205 Q HN 0.032 nan 8.270 nan 0.000 0.465 206 N N 0.014 118.580 118.700 -0.224 0.000 2.576 206 N HA 0.203 4.942 4.740 -0.001 0.000 0.269 206 N C -2.356 173.046 175.510 -0.181 0.000 1.058 206 N CA -2.162 50.801 53.050 -0.146 0.000 0.860 206 N CB 1.466 39.910 38.487 -0.072 0.000 1.249 206 N HN -0.216 nan 8.380 nan 0.000 0.525 207 P HA -0.267 nan 4.420 nan 0.000 0.218 207 P C 1.041 178.274 177.300 -0.111 0.000 1.165 207 P CA 1.737 64.741 63.100 -0.161 0.000 0.922 207 P CB 0.262 31.896 31.700 -0.110 0.000 0.794 208 R N -0.976 119.480 120.500 -0.073 0.000 2.159 208 R HA -0.150 4.190 4.340 -0.001 0.000 0.249 208 R C 0.771 177.054 176.300 -0.029 0.000 1.136 208 R CA 1.187 57.263 56.100 -0.041 0.000 0.951 208 R CB -1.234 29.050 30.300 -0.027 0.000 0.876 208 R HN 0.326 nan 8.270 nan 0.000 0.440 209 N N 1.064 119.744 118.700 -0.034 0.000 2.365 209 N HA -0.060 4.680 4.740 -0.001 0.000 0.265 209 N C -0.221 175.296 175.510 0.012 0.000 1.288 209 N CA 1.040 54.090 53.050 -0.001 0.000 0.869 209 N CB 0.324 38.814 38.487 0.004 0.000 1.071 209 N HN 0.475 nan 8.380 nan 0.000 0.480 210 H N -0.069 119.033 119.070 0.052 0.000 2.489 210 H HA 0.712 5.268 4.556 -0.001 0.000 0.343 210 H C -0.471 174.941 175.328 0.139 0.000 1.086 210 H CA -0.731 55.364 56.048 0.077 0.000 1.198 210 H CB 0.618 30.415 29.762 0.058 0.000 1.490 210 H HN 0.503 nan 8.280 nan 0.000 0.504 211 F N 1.212 121.275 119.950 0.187 0.000 2.522 211 F HA 0.878 5.404 4.527 -0.001 0.000 0.324 211 F C 0.238 176.190 175.800 0.252 0.000 1.077 211 F CA -1.067 57.099 58.000 0.276 0.000 0.944 211 F CB 1.296 40.520 39.000 0.374 0.000 1.175 211 F HN 0.918 nan 8.300 nan 0.000 0.468 212 R N 2.374 123.041 120.500 0.278 0.000 2.515 212 R HA 0.519 4.859 4.340 -0.001 0.000 0.291 212 R C -1.632 174.652 176.300 -0.025 0.000 1.046 212 R CA -0.351 55.823 56.100 0.124 0.000 0.914 212 R CB 1.357 31.715 30.300 0.096 0.000 1.191 212 R HN 1.115 nan 8.270 nan 0.000 0.435 213 c N 5.178 123.570 118.600 -0.346 0.000 2.192 213 c HA 0.342 4.912 4.570 -0.001 0.000 0.337 213 c C 0.080 173.939 174.090 -0.385 0.000 1.103 213 c CA -0.243 55.604 56.329 -0.804 0.000 1.581 213 c CB -0.075 41.733 42.510 -1.169 0.000 2.070 213 c HN 0.835 nan 8.230 nan 0.000 0.485 214 Q N 3.237 122.903 119.800 -0.222 0.000 2.230 214 Q HA 0.645 4.984 4.340 -0.001 0.000 0.248 214 Q C -1.038 174.899 176.000 -0.105 0.000 0.915 214 Q CA -0.264 55.475 55.803 -0.107 0.000 0.900 214 Q CB 1.414 30.163 28.738 0.017 0.000 1.229 214 Q HN 0.680 nan 8.270 nan 0.000 0.439 215 V N 3.845 123.699 119.914 -0.101 0.000 2.516 215 V HA 0.097 4.216 4.120 -0.001 0.000 0.271 215 V C -0.992 175.043 176.094 -0.098 0.000 0.992 215 V CA -0.723 61.517 62.300 -0.101 0.000 0.857 215 V CB 1.346 33.083 31.823 -0.144 0.000 1.047 215 V HN 0.744 nan 8.190 nan 0.000 0.455 216 Q N 3.985 123.732 119.800 -0.089 0.000 2.324 216 Q HA 0.345 4.685 4.340 -0.001 0.000 0.257 216 Q C -0.879 174.966 176.000 -0.259 0.000 1.080 216 Q CA 0.156 55.840 55.803 -0.200 0.000 0.907 216 Q CB 0.537 29.153 28.738 -0.203 0.000 1.274 216 Q HN 0.542 nan 8.270 nan 0.000 0.434 217 F N 4.452 124.160 119.950 -0.402 0.000 2.380 217 F HA 0.521 5.048 4.527 -0.001 0.000 0.321 217 F C -1.325 174.174 175.800 -0.501 0.000 1.103 217 F CA -0.919 56.884 58.000 -0.330 0.000 1.067 217 F CB 0.769 39.649 39.000 -0.199 0.000 1.265 217 F HN 0.534 nan 8.300 nan 0.000 0.517 218 Y N 2.099 121.719 120.300 -1.133 0.000 2.373 218 Y HA 0.631 5.180 4.550 -0.001 0.000 0.336 218 Y C 0.367 175.494 175.900 -1.287 0.000 0.979 218 Y CA -0.438 57.117 58.100 -0.909 0.000 1.080 218 Y CB 1.765 39.824 38.460 -0.669 0.000 1.190 218 Y HN 0.808 nan 8.280 nan 0.000 0.446 219 G N 1.491 109.901 108.800 -0.650 0.000 2.871 219 G HA2 0.502 4.462 3.960 -0.001 0.000 0.282 219 G HA3 0.502 4.462 3.960 -0.001 0.000 0.282 219 G C -1.138 173.656 174.900 -0.176 0.000 1.212 219 G CA -1.169 43.682 45.100 -0.415 0.000 0.812 219 G HN 0.515 nan 8.290 nan 0.000 0.547 220 L N 1.188 122.321 121.223 -0.150 0.000 2.516 220 L HA 0.309 4.649 4.340 -0.001 0.000 0.288 220 L C 1.209 178.009 176.870 -0.117 0.000 1.246 220 L CA 0.070 54.825 54.840 -0.143 0.000 0.844 220 L CB 0.491 42.397 42.059 -0.256 0.000 1.106 220 L HN 0.699 nan 8.230 nan 0.000 0.509 221 S N -0.233 115.420 115.700 -0.078 0.000 2.795 221 S HA 0.227 4.697 4.470 -0.001 0.000 0.308 221 S C 0.665 175.241 174.600 -0.040 0.000 1.098 221 S CA -0.646 57.521 58.200 -0.054 0.000 0.934 221 S CB 1.363 64.543 63.200 -0.033 0.000 1.300 221 S HN 0.685 nan 8.310 nan 0.000 0.566 222 E N 0.815 121.000 120.200 -0.025 0.000 2.150 222 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 222 E C 1.403 178.003 176.600 -0.001 0.000 0.985 222 E CA 1.464 57.857 56.400 -0.011 0.000 0.814 222 E CB -0.393 29.301 29.700 -0.009 0.000 0.752 222 E HN 0.744 nan 8.360 nan 0.000 0.466 223 N N 0.390 119.088 118.700 -0.005 0.000 2.515 223 N HA -0.059 4.680 4.740 -0.001 0.000 0.191 223 N C -0.730 174.786 175.510 0.011 0.000 1.182 223 N CA 0.297 53.348 53.050 0.002 0.000 0.879 223 N CB 0.311 38.795 38.487 -0.004 0.000 0.984 223 N HN -0.030 nan 8.380 nan 0.000 0.453 224 D N 0.245 120.651 120.400 0.010 0.000 2.192 224 D HA 0.222 4.862 4.640 -0.001 0.000 0.246 224 D C -0.397 175.947 176.300 0.072 0.000 1.042 224 D CA -0.169 53.847 54.000 0.026 0.000 0.847 224 D CB 1.447 42.238 40.800 -0.014 0.000 1.186 224 D HN 0.448 nan 8.370 nan 0.000 0.461 225 E N 2.250 122.518 120.200 0.115 0.000 2.289 225 E HA 0.182 4.531 4.350 -0.001 0.000 0.278 225 E C -1.103 175.703 176.600 0.344 0.000 1.032 225 E CA -0.593 55.908 56.400 0.167 0.000 0.854 225 E CB 1.377 31.148 29.700 0.118 0.000 1.046 225 E HN 0.549 nan 8.360 nan 0.000 0.409 226 W N 3.173 124.469 121.300 -0.006 0.000 2.543 226 W HA 0.323 4.982 4.660 -0.001 0.000 0.318 226 W C -0.332 176.180 176.519 -0.012 0.000 1.002 226 W CA -0.578 56.760 57.345 -0.013 0.000 1.302 226 W CB 1.911 31.362 29.460 -0.014 0.000 1.299 226 W HN 0.689 nan 8.180 nan 0.000 0.424 227 T N 1.325 115.701 114.554 -0.297 0.000 3.326 227 T HA 0.330 4.680 4.350 -0.001 0.000 0.274 227 T C -0.204 174.163 174.700 -0.555 0.000 1.608 227 T CA -0.291 61.622 62.100 -0.311 0.000 1.433 227 T CB 0.639 69.397 68.868 -0.183 0.000 1.034 227 T HN 0.271 nan 8.240 nan 0.000 0.694 228 Q N 0.194 119.511 119.800 -0.805 0.000 2.528 228 Q HA 0.408 4.748 4.340 -0.001 0.000 0.289 228 Q C 0.247 176.029 176.000 -0.363 0.000 1.091 228 Q CA -0.791 54.562 55.803 -0.751 0.000 0.797 228 Q CB 2.207 30.149 28.738 -1.327 0.000 1.466 228 Q HN 0.257 nan 8.270 nan 0.000 0.436 229 D N 0.368 120.641 120.400 -0.212 0.000 2.194 229 D HA -0.030 4.609 4.640 -0.001 0.000 0.204 229 D C 0.249 176.550 176.300 0.002 0.000 0.964 229 D CA 0.622 54.574 54.000 -0.079 0.000 0.846 229 D CB 0.727 41.499 40.800 -0.048 0.000 0.962 229 D HN 0.359 nan 8.370 nan 0.000 0.490 230 R N 0.497 121.029 120.500 0.053 0.000 2.368 230 R HA 0.600 4.940 4.340 -0.001 0.000 0.302 230 R C -0.047 176.440 176.300 0.311 0.000 1.002 230 R CA -0.697 55.498 56.100 0.159 0.000 0.929 230 R CB 1.409 31.821 30.300 0.186 0.000 1.073 230 R HN -0.244 nan 8.270 nan 0.000 0.464 231 A N 3.015 125.976 122.820 0.235 0.000 2.653 231 A HA -0.138 4.181 4.320 -0.001 0.000 0.227 231 A C 0.130 177.881 177.584 0.278 0.000 1.066 231 A CA 0.349 52.533 52.037 0.245 0.000 0.771 231 A CB 0.048 19.122 19.000 0.123 0.000 0.980 231 A HN 0.874 nan 8.150 nan 0.000 0.507 232 K N 2.099 122.567 120.400 0.113 0.000 2.402 232 K HA 0.163 4.483 4.320 -0.001 0.000 0.285 232 K C -2.360 174.023 176.600 -0.362 0.000 1.054 232 K CA -1.208 54.783 56.287 -0.494 0.000 1.001 232 K CB 0.151 32.501 32.500 -0.248 0.000 0.946 232 K HN 0.299 nan 8.250 nan 0.000 0.473 233 P HA -0.067 nan 4.420 nan 0.000 0.258 233 P C -0.726 176.526 177.300 -0.081 0.000 1.563 233 P CA -0.135 62.868 63.100 -0.161 0.000 1.241 233 P CB -0.009 31.578 31.700 -0.188 0.000 1.811 234 V N -0.051 119.832 119.914 -0.052 0.000 2.973 234 V HA 0.413 4.532 4.120 -0.001 0.000 0.314 234 V C 0.610 176.657 176.094 -0.078 0.000 1.066 234 V CA -0.588 61.663 62.300 -0.083 0.000 1.021 234 V CB 0.886 32.659 31.823 -0.083 0.000 1.076 234 V HN 0.108 nan 8.190 nan 0.000 0.462 235 T N 4.133 118.583 114.554 -0.173 0.000 3.213 235 T HA 0.117 4.466 4.350 -0.001 0.000 0.235 235 T C 0.439 175.020 174.700 -0.198 0.000 0.979 235 T CA 0.511 62.453 62.100 -0.264 0.000 1.308 235 T CB -1.212 67.535 68.868 -0.202 0.000 1.040 235 T HN 0.927 nan 8.240 nan 0.000 0.664 236 Q N 2.322 122.049 119.800 -0.121 0.000 2.796 236 Q HA 0.707 5.046 4.340 -0.001 0.000 0.178 236 Q C -0.291 175.633 176.000 -0.127 0.000 1.063 236 Q CA -1.008 54.743 55.803 -0.086 0.000 0.848 236 Q CB 1.275 30.007 28.738 -0.010 0.000 3.016 236 Q HN 0.390 nan 8.270 nan 0.000 0.413 237 I N 1.419 121.935 120.570 -0.090 0.000 2.588 237 I HA 0.219 4.388 4.170 -0.001 0.000 0.278 237 I C -1.083 174.983 176.117 -0.085 0.000 1.144 237 I CA -0.633 60.602 61.300 -0.108 0.000 1.074 237 I CB 2.012 39.934 38.000 -0.130 0.000 1.235 237 I HN 0.368 nan 8.210 nan 0.000 0.472 238 V N 4.075 123.943 119.914 -0.077 0.000 3.170 238 V HA 0.703 4.823 4.120 -0.001 0.000 0.309 238 V C 0.354 176.393 176.094 -0.092 0.000 1.071 238 V CA -0.110 62.145 62.300 -0.074 0.000 1.063 238 V CB 1.781 33.562 31.823 -0.071 0.000 1.123 238 V HN 0.824 nan 8.190 nan 0.000 0.464 239 S N 0.539 116.188 115.700 -0.086 0.000 2.627 239 S HA 0.840 5.310 4.470 -0.001 0.000 0.268 239 S C -1.041 173.510 174.600 -0.082 0.000 1.130 239 S CA 0.189 58.330 58.200 -0.099 0.000 0.819 239 S CB 1.479 64.617 63.200 -0.105 0.000 1.100 239 S HN 2.025 nan 8.310 nan 0.000 0.465 240 A N 0.000 122.766 122.820 -0.089 0.000 2.254 240 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 240 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 240 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 240 A HN 0.000 nan 8.150 nan 0.000 0.486