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 2zc1_1_A DATA FIRST_RESID 91 DATA SEQUENCE SSGLVPRGSH MTAQTVTGAV AAAQLGATLP HEHVIFGYPG YAGDVTLGPF DATA SEQUENCE DHAAALASCT ETARALLARG IQTVVDATPN DCGRNPAFLR EVSEATGLQI DATA SEQUENCE LCATGFYYEG EGATTYFKFR ASLGDAESEI YEMMRTEVTE GIAGTGIRAG DATA SEQUENCE VIXLASSRDA ITPYEQLFFR AAARVQRETG VPIITHTQEG QQGPQQAELL DATA SEQUENCE TSLGADPARI MIGHMDGNTD PAYHRETLRH GVSIAFDRIG LQGMVGTPTD DATA SEQUENCE AERLSVLTTL LGEGYADRLL LSHDSIWHWL GRPPAIPEAA LPAVKDWHPL DATA SEQUENCE HISDDILPDL RRRGITEEQV GQMTVGNPAR LFG 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 91 S HA 0.000 nan 4.470 nan 0.000 0.327 91 S C 0.000 174.602 174.600 0.004 0.000 1.055 91 S CA 0.000 58.203 58.200 0.005 0.000 1.107 91 S CB 0.000 63.203 63.200 0.005 0.000 0.593 92 S N 0.915 116.617 115.700 0.003 0.000 2.652 92 S HA 0.950 5.420 4.470 0.001 0.000 0.270 92 S C 0.983 175.584 174.600 0.003 0.000 1.243 92 S CA 0.160 58.361 58.200 0.002 0.000 0.999 92 S CB 1.195 64.395 63.200 0.001 0.000 0.973 92 S HN 1.801 nan 8.310 nan 0.000 0.544 93 G N 0.277 109.078 108.800 0.002 0.000 2.593 93 G HA2 -0.184 3.777 3.960 0.001 0.000 0.237 93 G HA3 -0.184 3.777 3.960 0.001 0.000 0.237 93 G C -0.713 174.190 174.900 0.005 0.000 1.312 93 G CA -0.202 44.900 45.100 0.004 0.000 0.896 93 G HN 1.112 nan 8.290 nan 0.000 0.574 94 L N 1.434 122.661 121.223 0.008 0.000 2.268 94 L HA 0.544 4.885 4.340 0.001 0.000 0.289 94 L C 1.013 177.884 176.870 0.003 0.000 1.064 94 L CA -0.678 54.167 54.840 0.007 0.000 0.824 94 L CB 0.417 42.483 42.059 0.012 0.000 1.202 94 L HN 0.906 nan 8.230 nan 0.000 0.433 95 V N 3.495 123.411 119.914 0.003 0.000 2.617 95 V HA 0.605 4.726 4.120 0.001 0.000 0.298 95 V C -2.305 173.789 176.094 0.001 0.000 1.048 95 V CA -2.152 60.148 62.300 0.001 0.000 0.964 95 V CB 0.866 32.691 31.823 0.004 0.000 1.004 95 V HN 0.600 nan 8.190 nan 0.000 0.466 96 P HA 0.183 nan 4.420 nan 0.000 0.266 96 P C -0.477 176.828 177.300 0.007 0.000 1.195 96 P CA -0.141 62.959 63.100 0.000 0.000 0.768 96 P CB 0.199 31.901 31.700 0.002 0.000 0.838 97 R N 2.037 122.541 120.500 0.007 0.000 2.441 97 R HA 0.299 4.640 4.340 0.001 0.000 0.300 97 R C 0.424 176.733 176.300 0.014 0.000 1.284 97 R CA -0.410 55.695 56.100 0.009 0.000 1.069 97 R CB -0.939 29.364 30.300 0.006 0.000 1.087 97 R HN 0.584 nan 8.270 nan 0.000 0.519 98 G N 2.038 110.849 108.800 0.018 0.000 2.891 98 G HA2 -0.246 3.715 3.960 0.001 0.000 0.336 98 G HA3 -0.246 3.715 3.960 0.001 0.000 0.336 98 G C 0.168 175.087 174.900 0.030 0.000 0.202 98 G CA 0.584 45.700 45.100 0.026 0.000 1.222 98 G HN 0.699 nan 8.290 nan 0.000 0.344 99 S N 1.613 117.342 115.700 0.048 0.000 4.471 99 S HA 0.145 4.616 4.470 0.001 0.000 0.191 99 S C 0.545 175.218 174.600 0.122 0.000 1.128 99 S CA -0.276 57.955 58.200 0.050 0.000 1.153 99 S CB 0.152 63.358 63.200 0.011 0.000 1.583 99 S HN 0.724 nan 8.310 nan 0.000 0.590 100 H N 1.755 120.831 119.070 0.010 0.000 2.604 100 H HA 0.288 4.844 4.556 0.001 0.000 0.306 100 H C 0.573 175.909 175.328 0.014 0.000 1.075 100 H CA -0.408 55.648 56.048 0.014 0.000 1.357 100 H CB 0.892 30.665 29.762 0.017 0.000 1.426 100 H HN 0.272 nan 8.280 nan 0.000 0.470 101 M N 2.312 121.949 119.600 0.061 0.000 2.510 101 M HA 0.039 4.520 4.480 0.001 0.000 0.256 101 M C 0.475 176.753 176.300 -0.036 0.000 1.132 101 M CA 0.506 55.813 55.300 0.011 0.000 1.105 101 M CB -0.100 32.509 32.600 0.015 0.000 1.375 101 M HN 0.548 nan 8.290 nan 0.000 0.477 102 T N -2.324 112.161 114.554 -0.116 0.000 2.868 102 T HA 0.769 5.119 4.350 0.001 0.000 0.306 102 T C -0.698 173.895 174.700 -0.180 0.000 1.224 102 T CA -1.004 61.031 62.100 -0.108 0.000 1.012 102 T CB 2.215 71.032 68.868 -0.085 0.000 1.221 102 T HN 0.122 nan 8.240 nan 0.000 0.499 103 A N 1.047 123.817 122.820 -0.083 0.000 2.354 103 A HA 0.647 4.968 4.320 0.001 0.000 0.269 103 A C 0.058 177.593 177.584 -0.082 0.000 1.109 103 A CA -0.405 51.599 52.037 -0.055 0.000 0.800 103 A CB 0.480 19.497 19.000 0.028 0.000 1.045 103 A HN 0.761 nan 8.150 nan 0.000 0.489 104 Q N 1.124 120.881 119.800 -0.072 0.000 2.347 104 Q HA 0.486 4.826 4.340 0.001 0.000 0.262 104 Q C 0.154 176.135 176.000 -0.030 0.000 0.980 104 Q CA 0.012 55.784 55.803 -0.052 0.000 0.867 104 Q CB 0.998 29.716 28.738 -0.033 0.000 1.242 104 Q HN 0.898 nan 8.270 nan 0.000 0.453 105 T N -1.213 113.320 114.554 -0.035 0.000 2.937 105 T HA 0.377 4.728 4.350 0.001 0.000 0.283 105 T C 1.040 175.719 174.700 -0.036 0.000 1.012 105 T CA -0.198 61.878 62.100 -0.041 0.000 0.997 105 T CB 0.706 69.548 68.868 -0.043 0.000 1.136 105 T HN 0.493 nan 8.240 nan 0.000 0.551 106 V N -1.163 118.725 119.914 -0.043 0.000 3.241 106 V HA 0.087 4.208 4.120 0.001 0.000 0.269 106 V C 1.767 177.842 176.094 -0.031 0.000 1.151 106 V CA 1.580 63.858 62.300 -0.037 0.000 1.158 106 V CB -1.908 29.887 31.823 -0.048 0.000 0.764 106 V HN 1.099 nan 8.190 nan 0.000 0.508 107 T N -2.882 111.654 114.554 -0.031 0.000 3.085 107 T HA 0.638 4.989 4.350 0.001 0.000 0.264 107 T C 0.800 175.487 174.700 -0.021 0.000 1.019 107 T CA 0.422 62.507 62.100 -0.025 0.000 0.910 107 T CB 0.162 69.014 68.868 -0.027 0.000 1.059 107 T HN 1.675 nan 8.240 nan 0.000 0.542 108 G N 0.845 109.632 108.800 -0.022 0.000 2.353 108 G HA2 0.408 4.369 3.960 0.001 0.000 0.615 108 G HA3 0.408 4.369 3.960 0.001 0.000 0.615 108 G C -0.475 174.409 174.900 -0.026 0.000 1.280 108 G CA -0.544 44.544 45.100 -0.020 0.000 1.000 108 G HN 0.872 nan 8.290 nan 0.000 0.516 109 A N -1.129 121.674 122.820 -0.028 0.000 2.407 109 A HA 0.689 5.010 4.320 0.001 0.000 0.248 109 A C 0.255 177.821 177.584 -0.030 0.000 1.082 109 A CA 0.426 52.440 52.037 -0.039 0.000 0.785 109 A CB 0.838 19.812 19.000 -0.043 0.000 1.020 109 A HN 1.912 nan 8.150 nan 0.000 0.489 110 V N 1.472 121.367 119.914 -0.032 0.000 2.686 110 V HA 0.571 4.691 4.120 0.001 0.000 0.306 110 V C 0.554 176.639 176.094 -0.016 0.000 1.065 110 V CA -0.394 61.895 62.300 -0.019 0.000 0.894 110 V CB 1.510 33.324 31.823 -0.015 0.000 1.004 110 V HN 1.329 nan 8.190 nan 0.000 0.424 111 A N 3.169 125.983 122.820 -0.009 0.000 2.445 111 A HA 0.614 4.935 4.320 0.001 0.000 0.242 111 A C 1.605 179.194 177.584 0.008 0.000 1.075 111 A CA 0.522 52.557 52.037 -0.003 0.000 0.777 111 A CB 0.481 19.480 19.000 -0.001 0.000 1.013 111 A HN 1.583 nan 8.150 nan 0.000 0.493 112 A N 2.209 125.037 122.820 0.014 0.000 1.917 112 A HA 0.022 4.343 4.320 0.001 0.000 0.219 112 A C 2.269 179.871 177.584 0.030 0.000 1.182 112 A CA 2.520 54.574 52.037 0.030 0.000 0.633 112 A CB -0.968 18.049 19.000 0.028 0.000 0.819 112 A HN 1.816 nan 8.150 nan 0.000 0.448 113 A N -1.851 120.981 122.820 0.020 0.000 2.172 113 A HA -0.049 4.271 4.320 0.001 0.000 0.216 113 A C 1.884 179.478 177.584 0.017 0.000 1.154 113 A CA 1.287 53.335 52.037 0.019 0.000 0.701 113 A CB -0.206 18.802 19.000 0.013 0.000 0.789 113 A HN 0.473 nan 8.150 nan 0.000 0.465 114 Q N -0.658 119.151 119.800 0.015 0.000 2.360 114 Q HA 0.228 4.569 4.340 0.001 0.000 0.202 114 Q C 1.723 177.732 176.000 0.015 0.000 0.915 114 Q CA 0.216 56.026 55.803 0.012 0.000 0.943 114 Q CB 0.003 28.744 28.738 0.005 0.000 1.064 114 Q HN 0.716 nan 8.270 nan 0.000 0.511 115 L N -0.554 120.684 121.223 0.025 0.000 2.056 115 L HA -0.045 4.296 4.340 0.001 0.000 0.207 115 L C 1.342 178.229 176.870 0.030 0.000 1.078 115 L CA 0.991 55.849 54.840 0.031 0.000 0.749 115 L CB -0.798 41.297 42.059 0.059 0.000 0.901 115 L HN 0.323 nan 8.230 nan 0.000 0.433 116 G N -0.328 108.492 108.800 0.034 0.000 2.601 116 G HA2 -0.279 3.682 3.960 0.001 0.000 0.252 116 G HA3 -0.279 3.682 3.960 0.001 0.000 0.252 116 G C 0.044 174.967 174.900 0.040 0.000 1.294 116 G CA -0.359 44.759 45.100 0.031 0.000 0.912 116 G HN 0.616 nan 8.290 nan 0.000 0.574 117 A N -0.429 122.412 122.820 0.035 0.000 2.520 117 A HA 0.600 4.920 4.320 0.001 0.000 0.245 117 A C 0.710 178.321 177.584 0.044 0.000 1.072 117 A CA 1.681 53.743 52.037 0.041 0.000 0.761 117 A CB 0.014 19.034 19.000 0.034 0.000 1.004 117 A HN 1.641 nan 8.150 nan 0.000 0.499 118 T N 2.729 117.316 114.554 0.055 0.000 2.893 118 T HA 0.515 4.865 4.350 0.001 0.000 0.293 118 T C -0.554 174.180 174.700 0.056 0.000 1.027 118 T CA -0.362 61.764 62.100 0.044 0.000 0.988 118 T CB 1.091 69.985 68.868 0.043 0.000 1.043 118 T HN 0.466 nan 8.240 nan 0.000 0.461 119 L N 4.815 126.067 121.223 0.049 0.000 2.277 119 L HA 0.331 4.672 4.340 0.001 0.000 0.284 119 L C -1.292 175.588 176.870 0.017 0.000 1.028 119 L CA -2.129 52.761 54.840 0.083 0.000 0.835 119 L CB 1.788 43.947 42.059 0.167 0.000 1.215 119 L HN 0.448 nan 8.230 nan 0.000 0.425 120 P HA -0.122 nan 4.420 nan 0.000 0.242 120 P C -0.031 177.298 177.300 0.049 0.000 1.197 120 P CA 0.974 64.075 63.100 0.002 0.000 0.765 120 P CB 0.078 31.931 31.700 0.255 0.000 0.936 121 H N -0.797 118.261 119.070 -0.020 0.000 3.093 121 H HA 0.267 4.823 4.556 0.001 0.000 0.311 121 H C -0.697 174.589 175.328 -0.069 0.000 1.294 121 H CA -0.384 55.639 56.048 -0.043 0.000 1.628 121 H CB 0.701 30.504 29.762 0.067 0.000 1.874 121 H HN -0.204 nan 8.280 nan 0.000 0.574 122 E N 2.328 122.436 120.200 -0.154 0.000 2.456 122 E HA 0.318 4.669 4.350 0.001 0.000 0.276 122 E C -0.935 175.262 176.600 -0.672 0.000 0.981 122 E CA -0.968 55.327 56.400 -0.175 0.000 0.814 122 E CB 1.967 31.674 29.700 0.011 0.000 1.382 122 E HN 0.543 nan 8.360 nan 0.000 0.459 123 H N 0.597 119.483 119.070 -0.305 0.000 2.906 123 H HA 0.220 4.777 4.556 0.001 0.000 0.324 123 H C 0.969 175.828 175.328 -0.781 0.000 0.973 123 H CA -0.256 55.542 56.048 -0.418 0.000 1.321 123 H CB 1.413 31.017 29.762 -0.263 0.000 1.535 123 H HN 0.124 nan 8.280 nan 0.000 0.518 124 V N 4.019 123.446 119.914 -0.812 0.000 2.261 124 V HA -0.158 3.962 4.120 0.001 0.000 0.246 124 V C 1.302 177.224 176.094 -0.287 0.000 1.047 124 V CA 1.775 63.516 62.300 -0.931 0.000 1.015 124 V CB -0.136 31.335 31.823 -0.585 0.000 0.642 124 V HN 0.642 nan 8.190 nan 0.000 0.446 125 I N -4.014 116.454 120.570 -0.169 0.000 2.892 125 I HA 0.755 4.926 4.170 0.001 0.000 0.306 125 I C -1.176 174.836 176.117 -0.176 0.000 1.078 125 I CA -0.891 60.331 61.300 -0.130 0.000 1.032 125 I CB 2.514 40.413 38.000 -0.168 0.000 1.229 125 I HN 0.050 nan 8.210 nan 0.000 0.435 126 F N 2.088 121.749 119.950 -0.481 0.000 2.650 126 F HA 0.796 5.324 4.527 0.000 0.000 0.310 126 F C -0.863 174.581 175.800 -0.593 0.000 1.112 126 F CA -0.228 57.408 58.000 -0.606 0.000 0.986 126 F CB 2.229 40.734 39.000 -0.824 0.000 1.285 126 F HN 0.813 nan 8.300 nan 0.000 0.440 127 G N 3.442 111.575 108.800 -1.111 0.000 2.701 127 G HA2 0.479 4.440 3.960 0.001 0.000 0.300 127 G HA3 0.479 4.440 3.960 0.001 0.000 0.300 127 G C -2.295 172.284 174.900 -0.535 0.000 1.410 127 G CA -0.587 44.053 45.100 -0.768 0.000 1.014 127 G HN 0.489 nan 8.290 nan 0.000 0.509 128 Y N 1.371 121.759 120.300 0.147 0.000 2.411 128 Y HA 0.295 4.846 4.550 0.002 0.000 0.333 128 Y C -1.632 174.395 175.900 0.212 0.000 1.186 128 Y CA -1.699 56.526 58.100 0.208 0.000 1.381 128 Y CB 0.712 39.361 38.460 0.315 0.000 1.273 128 Y HN 0.282 nan 8.280 nan 0.000 0.546 129 P HA 0.047 nan 4.420 nan 0.000 0.258 129 P C 0.624 177.987 177.300 0.104 0.000 1.172 129 P CA 1.960 65.142 63.100 0.138 0.000 0.762 129 P CB 0.277 32.036 31.700 0.099 0.000 0.764 130 G N 3.127 111.913 108.800 -0.024 0.000 2.284 130 G HA2 -0.310 3.651 3.960 0.001 0.000 0.201 130 G HA3 -0.310 3.651 3.960 0.001 0.000 0.201 130 G C 0.865 175.722 174.900 -0.071 0.000 0.998 130 G CA 0.193 45.265 45.100 -0.046 0.000 0.651 130 G HN 0.541 nan 8.290 nan 0.000 0.489 131 Y N 0.769 121.092 120.300 0.039 0.000 2.256 131 Y HA 0.273 4.823 4.550 0.001 0.000 0.288 131 Y C 2.627 178.533 175.900 0.011 0.000 1.155 131 Y CA 1.661 59.785 58.100 0.041 0.000 1.203 131 Y CB -0.958 37.529 38.460 0.046 0.000 0.980 131 Y HN 0.559 nan 8.280 nan 0.000 0.530 132 A N 1.219 123.461 122.820 -0.964 0.000 2.015 132 A HA 0.056 4.376 4.320 0.001 0.000 0.219 132 A C 2.412 179.854 177.584 -0.237 0.000 1.163 132 A CA 1.159 52.840 52.037 -0.593 0.000 0.646 132 A CB -1.505 17.079 19.000 -0.693 0.000 0.806 132 A HN 0.638 nan 8.150 nan 0.000 0.448 133 G N -0.838 107.845 108.800 -0.195 0.000 2.509 133 G HA2 -0.116 3.845 3.960 0.001 0.000 0.218 133 G HA3 -0.116 3.845 3.960 0.001 0.000 0.218 133 G C 0.814 175.689 174.900 -0.041 0.000 1.124 133 G CA 1.058 46.100 45.100 -0.097 0.000 0.776 133 G HN 0.473 nan 8.290 nan 0.000 0.547 134 D N -0.233 120.159 120.400 -0.014 0.000 2.587 134 D HA 0.143 4.783 4.640 0.001 0.000 0.233 134 D C 1.885 178.213 176.300 0.047 0.000 1.213 134 D CA -0.332 53.685 54.000 0.028 0.000 0.827 134 D CB 0.332 41.168 40.800 0.059 0.000 1.006 134 D HN -0.029 nan 8.370 nan 0.000 0.490 135 V N -0.312 119.619 119.914 0.028 0.000 2.594 135 V HA -0.198 3.922 4.120 0.001 0.000 0.253 135 V C 1.920 178.044 176.094 0.050 0.000 1.069 135 V CA 2.219 64.549 62.300 0.050 0.000 1.082 135 V CB -0.299 31.539 31.823 0.025 0.000 0.680 135 V HN 0.310 nan 8.190 nan 0.000 0.469 136 T N 0.600 115.173 114.554 0.033 0.000 2.708 136 T HA -0.084 4.266 4.350 0.001 0.000 0.266 136 T C 1.621 176.343 174.700 0.036 0.000 1.037 136 T CA 2.039 64.157 62.100 0.030 0.000 1.146 136 T CB -0.192 68.687 68.868 0.018 0.000 0.865 136 T HN 0.454 nan 8.240 nan 0.000 0.435 137 L N -0.325 120.921 121.223 0.038 0.000 2.554 137 L HA 0.332 4.672 4.340 0.001 0.000 0.225 137 L C 1.686 178.589 176.870 0.054 0.000 1.104 137 L CA 0.120 54.984 54.840 0.039 0.000 0.866 137 L CB 0.266 42.343 42.059 0.030 0.000 1.047 137 L HN 0.236 nan 8.230 nan 0.000 0.468 138 G N 1.286 110.131 108.800 0.074 0.000 4.959 138 G HA2 0.287 4.248 3.960 0.001 0.000 0.297 138 G HA3 0.287 4.248 3.960 0.001 0.000 0.297 138 G C -2.589 172.395 174.900 0.140 0.000 1.351 138 G CA -0.595 44.566 45.100 0.102 0.000 1.016 138 G HN -0.066 nan 8.290 nan 0.000 0.592 139 P HA 0.197 nan 4.420 nan 0.000 0.274 139 P C -0.760 176.677 177.300 0.227 0.000 1.237 139 P CA -0.543 62.653 63.100 0.160 0.000 0.793 139 P CB 1.462 33.229 31.700 0.111 0.000 0.977 140 F N 2.062 122.057 119.950 0.074 0.000 2.472 140 F HA 0.164 4.691 4.527 0.001 0.000 0.364 140 F C 0.422 176.261 175.800 0.066 0.000 1.090 140 F CA -0.522 57.515 58.000 0.062 0.000 1.188 140 F CB -0.082 38.929 39.000 0.018 0.000 1.105 140 F HN 0.144 nan 8.300 nan 0.000 0.536 141 D N 5.635 125.842 120.400 -0.322 0.000 2.456 141 D HA 0.034 4.674 4.640 0.001 0.000 0.219 141 D C 1.287 177.168 176.300 -0.699 0.000 1.126 141 D CA 0.138 53.953 54.000 -0.308 0.000 0.890 141 D CB 0.012 40.731 40.800 -0.136 0.000 1.025 141 D HN 0.730 nan 8.370 nan 0.000 0.511 142 H N 3.948 122.595 119.070 -0.705 0.000 2.290 142 H HA -0.199 4.358 4.556 0.001 0.000 0.298 142 H C 1.361 176.509 175.328 -0.299 0.000 1.087 142 H CA 2.066 57.735 56.048 -0.633 0.000 1.291 142 H CB 0.283 29.962 29.762 -0.140 0.000 1.369 142 H HN 0.513 nan 8.280 nan 0.000 0.492 143 A N 1.132 123.946 122.820 -0.010 0.000 1.908 143 A HA -0.112 4.209 4.320 0.001 0.000 0.218 143 A C 2.754 180.270 177.584 -0.113 0.000 1.181 143 A CA 2.116 54.153 52.037 -0.001 0.000 0.627 143 A CB -1.112 17.907 19.000 0.031 0.000 0.818 143 A HN 0.596 nan 8.150 nan 0.000 0.445 144 A N -0.328 122.392 122.820 -0.166 0.000 1.898 144 A HA 0.203 4.523 4.320 0.001 0.000 0.216 144 A C 2.496 179.918 177.584 -0.270 0.000 1.181 144 A CA 2.011 53.960 52.037 -0.147 0.000 0.620 144 A CB -0.949 18.003 19.000 -0.079 0.000 0.819 144 A HN 1.022 nan 8.150 nan 0.000 0.442 145 A N -0.488 121.984 122.820 -0.579 0.000 1.873 145 A HA -0.002 4.318 4.320 0.001 0.000 0.215 145 A C 2.123 179.638 177.584 -0.115 0.000 1.186 145 A CA 1.656 53.198 52.037 -0.825 0.000 0.616 145 A CB -0.656 17.628 19.000 -1.194 0.000 0.823 145 A HN 0.655 nan 8.150 nan 0.000 0.442 146 L N -0.147 121.056 121.223 -0.033 0.000 2.042 146 L HA -0.096 4.244 4.340 0.001 0.000 0.210 146 L C 2.660 179.513 176.870 -0.028 0.000 1.076 146 L CA 2.196 57.042 54.840 0.010 0.000 0.749 146 L CB -0.726 41.260 42.059 -0.122 0.000 0.893 146 L HN 0.354 nan 8.230 nan 0.000 0.432 147 A N -1.724 121.069 122.820 -0.046 0.000 1.877 147 A HA -0.224 4.097 4.320 0.001 0.000 0.216 147 A C 2.532 180.108 177.584 -0.013 0.000 1.186 147 A CA 1.968 53.987 52.037 -0.030 0.000 0.620 147 A CB -1.148 17.834 19.000 -0.030 0.000 0.822 147 A HN 0.520 nan 8.150 nan 0.000 0.443 148 S N -1.308 114.393 115.700 0.001 0.000 2.368 148 S HA -0.162 4.308 4.470 0.001 0.000 0.224 148 S C 1.963 176.602 174.600 0.065 0.000 1.029 148 S CA 1.520 59.744 58.200 0.039 0.000 0.988 148 S CB -0.723 62.543 63.200 0.110 0.000 0.838 148 S HN 0.652 nan 8.310 nan 0.000 0.462 149 C N 1.659 121.046 119.300 0.145 0.000 2.457 149 C HA 0.016 4.476 4.460 0.001 0.000 0.278 149 C C 3.075 178.148 174.990 0.139 0.000 1.309 149 C CA 1.319 60.511 59.018 0.290 0.000 1.735 149 C CB -1.620 26.368 27.740 0.414 0.000 1.992 149 C HN 0.879 nan 8.230 nan 0.000 0.493 150 T N -0.421 114.152 114.554 0.033 0.000 2.821 150 T HA -0.206 4.145 4.350 0.001 0.000 0.267 150 T C 1.606 176.274 174.700 -0.054 0.000 1.046 150 T CA 1.667 63.758 62.100 -0.016 0.000 1.139 150 T CB -0.445 68.398 68.868 -0.041 0.000 0.871 150 T HN 0.714 nan 8.240 nan 0.000 0.454 151 E N 1.034 121.196 120.200 -0.063 0.000 2.077 151 E HA -0.168 4.183 4.350 0.001 0.000 0.193 151 E C 2.124 178.620 176.600 -0.172 0.000 0.989 151 E CA 1.634 57.977 56.400 -0.095 0.000 0.800 151 E CB -0.373 29.279 29.700 -0.080 0.000 0.746 151 E HN 0.527 nan 8.360 nan 0.000 0.452 152 T N 0.464 114.860 114.554 -0.263 0.000 2.746 152 T HA -0.104 4.246 4.350 0.001 0.000 0.267 152 T C 1.838 176.226 174.700 -0.520 0.000 1.039 152 T CA 1.240 63.019 62.100 -0.535 0.000 1.142 152 T CB -0.305 67.951 68.868 -1.019 0.000 0.866 152 T HN 0.356 nan 8.240 nan 0.000 0.444 153 A N 1.821 124.440 122.820 -0.335 0.000 1.902 153 A HA -0.133 4.187 4.320 0.001 0.000 0.217 153 A C 2.378 179.897 177.584 -0.107 0.000 1.181 153 A CA 1.375 53.331 52.037 -0.135 0.000 0.623 153 A CB -0.469 18.561 19.000 0.049 0.000 0.818 153 A HN 0.402 nan 8.150 nan 0.000 0.443 154 R N -0.668 119.769 120.500 -0.105 0.000 2.075 154 R HA -0.064 4.277 4.340 0.001 0.000 0.232 154 R C 2.473 178.720 176.300 -0.089 0.000 1.126 154 R CA 1.151 57.204 56.100 -0.078 0.000 0.963 154 R CB -0.456 29.803 30.300 -0.068 0.000 0.858 154 R HN 0.515 nan 8.270 nan 0.000 0.435 155 A N 1.205 123.948 122.820 -0.129 0.000 1.933 155 A HA -0.110 4.211 4.320 0.001 0.000 0.218 155 A C 2.162 179.685 177.584 -0.103 0.000 1.175 155 A CA 1.077 53.042 52.037 -0.120 0.000 0.628 155 A CB -0.419 18.485 19.000 -0.161 0.000 0.814 155 A HN 0.164 nan 8.150 nan 0.000 0.444 156 L N -0.819 120.328 121.223 -0.127 0.000 2.056 156 L HA -0.135 4.205 4.340 0.001 0.000 0.207 156 L C 2.517 179.367 176.870 -0.033 0.000 1.078 156 L CA 0.952 55.747 54.840 -0.075 0.000 0.749 156 L CB -0.519 41.497 42.059 -0.071 0.000 0.901 156 L HN 0.361 nan 8.230 nan 0.000 0.433 157 L N -0.295 120.907 121.223 -0.035 0.000 2.079 157 L HA -0.214 4.127 4.340 0.001 0.000 0.210 157 L C 2.861 179.720 176.870 -0.018 0.000 1.081 157 L CA 1.111 55.940 54.840 -0.019 0.000 0.752 157 L CB -0.749 41.298 42.059 -0.020 0.000 0.896 157 L HN 0.250 nan 8.230 nan 0.000 0.433 158 A N -0.192 122.611 122.820 -0.028 0.000 1.940 158 A HA -0.173 4.147 4.320 0.001 0.000 0.219 158 A C 2.157 179.733 177.584 -0.013 0.000 1.176 158 A CA 1.311 53.335 52.037 -0.023 0.000 0.631 158 A CB -0.339 18.642 19.000 -0.031 0.000 0.814 158 A HN 0.261 nan 8.150 nan 0.000 0.446 159 R N -1.048 119.445 120.500 -0.011 0.000 2.323 159 R HA 0.094 4.435 4.340 0.001 0.000 0.198 159 R C 1.385 177.689 176.300 0.007 0.000 0.988 159 R CA 0.663 56.764 56.100 0.001 0.000 1.041 159 R CB -1.085 29.220 30.300 0.008 0.000 0.926 159 R HN 0.927 nan 8.270 nan 0.000 0.476 160 G N 1.018 109.820 108.800 0.003 0.000 2.159 160 G HA2 -0.268 3.692 3.960 0.001 0.000 0.256 160 G HA3 -0.268 3.692 3.960 0.001 0.000 0.256 160 G C 0.201 175.109 174.900 0.014 0.000 0.977 160 G CA -0.107 44.997 45.100 0.008 0.000 0.652 160 G HN 0.322 nan 8.290 nan 0.000 0.531 161 I N 1.095 121.676 120.570 0.018 0.000 2.379 161 I HA 0.187 4.357 4.170 0.001 0.000 0.290 161 I C 1.456 177.588 176.117 0.024 0.000 1.063 161 I CA -0.001 61.316 61.300 0.029 0.000 1.351 161 I CB 1.172 39.198 38.000 0.043 0.000 1.410 161 I HN 0.205 nan 8.210 nan 0.000 0.505 162 Q N 3.510 123.324 119.800 0.022 0.000 2.352 162 Q HA 0.171 4.511 4.340 0.001 0.000 0.212 162 Q C -0.289 175.719 176.000 0.014 0.000 0.888 162 Q CA 0.435 56.248 55.803 0.016 0.000 0.934 162 Q CB 0.853 29.598 28.738 0.012 0.000 1.093 162 Q HN 0.629 nan 8.270 nan 0.000 0.523 163 T N 0.256 114.820 114.554 0.015 0.000 2.933 163 T HA 0.480 4.831 4.350 0.001 0.000 0.305 163 T C -1.137 173.557 174.700 -0.010 0.000 1.092 163 T CA -0.464 61.632 62.100 -0.008 0.000 1.008 163 T CB 2.514 71.365 68.868 -0.028 0.000 1.102 163 T HN -0.221 nan 8.240 nan 0.000 0.469 164 V N 2.615 122.510 119.914 -0.032 0.000 2.656 164 V HA 0.522 4.642 4.120 0.001 0.000 0.307 164 V C -0.499 175.493 176.094 -0.171 0.000 1.051 164 V CA -0.775 61.497 62.300 -0.046 0.000 0.893 164 V CB 2.224 34.081 31.823 0.056 0.000 0.999 164 V HN 0.749 nan 8.190 nan 0.000 0.426 165 V N 3.875 123.640 119.914 -0.248 0.000 2.333 165 V HA 0.281 4.402 4.120 0.001 0.000 0.274 165 V C 0.141 176.044 176.094 -0.319 0.000 1.028 165 V CA -0.438 61.652 62.300 -0.349 0.000 0.851 165 V CB 1.349 32.848 31.823 -0.540 0.000 1.000 165 V HN 0.888 nan 8.190 nan 0.000 0.456 166 D N 4.638 124.854 120.400 -0.307 0.000 2.325 166 D HA 0.278 4.919 4.640 0.001 0.000 0.251 166 D C 0.599 176.688 176.300 -0.352 0.000 1.196 166 D CA -0.141 53.644 54.000 -0.359 0.000 0.866 166 D CB 1.960 42.587 40.800 -0.289 0.000 1.101 166 D HN 0.614 nan 8.370 nan 0.000 0.476 167 A N 3.501 125.992 122.820 -0.548 0.000 2.415 167 A HA 0.119 4.440 4.320 0.001 0.000 0.248 167 A C 0.770 178.301 177.584 -0.089 0.000 1.299 167 A CA -0.280 51.483 52.037 -0.457 0.000 0.899 167 A CB -0.059 18.348 19.000 -0.988 0.000 0.997 167 A HN 0.495 nan 8.150 nan 0.000 0.506 168 T N 3.547 118.125 114.554 0.040 0.000 2.784 168 T HA 0.293 4.643 4.350 0.001 0.000 0.291 168 T C -2.515 172.144 174.700 -0.069 0.000 0.942 168 T CA -0.434 61.744 62.100 0.131 0.000 1.161 168 T CB 0.475 69.381 68.868 0.062 0.000 0.885 168 T HN 0.184 nan 8.240 nan 0.000 0.534 169 P HA 0.169 nan 4.420 nan 0.000 0.269 169 P C 0.714 177.852 177.300 -0.269 0.000 1.215 169 P CA -0.457 62.539 63.100 -0.173 0.000 0.780 169 P CB 0.530 32.113 31.700 -0.195 0.000 0.898 170 N N 1.389 119.906 118.700 -0.304 0.000 2.192 170 N HA -0.170 4.571 4.740 0.001 0.000 0.188 170 N C 0.873 176.087 175.510 -0.493 0.000 1.013 170 N CA 1.472 54.303 53.050 -0.366 0.000 0.863 170 N CB -0.649 37.617 38.487 -0.369 0.000 0.990 170 N HN 0.562 nan 8.380 nan 0.000 0.430 171 D N -1.237 118.759 120.400 -0.673 0.000 2.328 171 D HA 0.050 4.691 4.640 0.001 0.000 0.221 171 D C -0.097 176.034 176.300 -0.282 0.000 1.072 171 D CA -0.044 53.678 54.000 -0.463 0.000 0.850 171 D CB -0.706 39.830 40.800 -0.439 0.000 0.922 171 D HN 0.129 nan 8.370 nan 0.000 0.516 172 C N 0.469 119.534 119.300 -0.392 0.000 2.660 172 C HA 0.696 5.157 4.460 0.001 0.000 0.265 172 C C 1.558 176.102 174.990 -0.743 0.000 1.573 172 C CA -0.227 58.407 59.018 -0.640 0.000 1.751 172 C CB -0.592 26.547 27.740 -1.001 0.000 3.033 172 C HN 0.563 nan 8.230 nan 0.000 0.511 173 G N 1.741 110.319 108.800 -0.371 0.000 2.132 173 G HA2 -0.241 3.720 3.960 0.001 0.000 0.234 173 G HA3 -0.241 3.720 3.960 0.001 0.000 0.234 173 G C 0.270 174.972 174.900 -0.330 0.000 0.989 173 G CA 0.001 44.862 45.100 -0.399 0.000 0.676 173 G HN 0.678 nan 8.290 nan 0.000 0.522 174 R N 0.360 120.701 120.500 -0.265 0.000 2.537 174 R HA 0.219 4.559 4.340 0.001 0.000 0.281 174 R C -0.407 175.805 176.300 -0.146 0.000 0.988 174 R CA 0.481 56.469 56.100 -0.188 0.000 1.077 174 R CB 0.124 30.331 30.300 -0.155 0.000 0.932 174 R HN 0.172 nan 8.270 nan 0.000 0.409 175 N N 5.686 124.320 118.700 -0.110 0.000 2.675 175 N HA 0.220 4.961 4.740 0.001 0.000 0.254 175 N C -2.421 173.096 175.510 0.012 0.000 1.224 175 N CA -1.852 51.163 53.050 -0.059 0.000 0.777 175 N CB 1.736 40.161 38.487 -0.103 0.000 1.256 175 N HN 0.342 nan 8.380 nan 0.000 0.531 176 P HA -0.069 nan 4.420 nan 0.000 0.215 176 P C 1.068 178.382 177.300 0.024 0.000 1.153 176 P CA 1.292 64.391 63.100 -0.001 0.000 0.853 176 P CB 0.388 32.082 31.700 -0.009 0.000 0.788 177 A N -1.293 121.558 122.820 0.051 0.000 1.902 177 A HA -0.209 4.111 4.320 0.001 0.000 0.217 177 A C 2.111 179.763 177.584 0.115 0.000 1.181 177 A CA 1.389 53.469 52.037 0.072 0.000 0.623 177 A CB -1.794 17.256 19.000 0.084 0.000 0.818 177 A HN 0.149 nan 8.150 nan 0.000 0.443 178 F N 0.031 119.994 119.950 0.021 0.000 2.146 178 F HA -0.097 4.431 4.527 0.001 0.000 0.298 178 F C 1.787 177.586 175.800 -0.001 0.000 1.096 178 F CA 1.275 59.302 58.000 0.044 0.000 1.275 178 F CB -0.252 38.765 39.000 0.029 0.000 1.008 178 F HN 0.135 nan 8.300 nan 0.000 0.480 179 L N 0.757 121.976 121.223 -0.006 0.000 2.079 179 L HA -0.193 4.148 4.340 0.001 0.000 0.210 179 L C 2.630 179.411 176.870 -0.148 0.000 1.081 179 L CA 1.672 56.442 54.840 -0.117 0.000 0.752 179 L CB -1.187 40.831 42.059 -0.068 0.000 0.896 179 L HN 0.165 nan 8.230 nan 0.000 0.433 180 R N -0.236 120.208 120.500 -0.094 0.000 2.092 180 R HA -0.152 4.189 4.340 0.001 0.000 0.231 180 R C 2.043 178.279 176.300 -0.107 0.000 1.119 180 R CA 1.390 57.443 56.100 -0.078 0.000 0.970 180 R CB -0.040 30.238 30.300 -0.036 0.000 0.864 180 R HN 0.478 nan 8.270 nan 0.000 0.440 181 E N -0.068 120.043 120.200 -0.148 0.000 2.058 181 E HA -0.169 4.181 4.350 0.001 0.000 0.194 181 E C 2.032 178.498 176.600 -0.224 0.000 0.997 181 E CA 1.619 57.921 56.400 -0.164 0.000 0.801 181 E CB -0.040 29.551 29.700 -0.182 0.000 0.746 181 E HN 0.158 nan 8.360 nan 0.000 0.450 182 V N 0.993 120.691 119.914 -0.360 0.000 2.343 182 V HA -0.258 3.862 4.120 0.001 0.000 0.247 182 V C 2.460 178.480 176.094 -0.123 0.000 1.051 182 V CA 1.936 64.076 62.300 -0.267 0.000 1.036 182 V CB -0.442 31.207 31.823 -0.289 0.000 0.654 182 V HN 0.255 nan 8.190 nan 0.000 0.451 183 S N -0.631 115.004 115.700 -0.109 0.000 2.368 183 S HA -0.210 4.261 4.470 0.001 0.000 0.224 183 S C 1.965 176.534 174.600 -0.051 0.000 1.029 183 S CA 1.774 59.938 58.200 -0.061 0.000 0.988 183 S CB -0.210 62.955 63.200 -0.059 0.000 0.838 183 S HN 0.720 nan 8.310 nan 0.000 0.462 184 E N 0.638 120.803 120.200 -0.059 0.000 2.106 184 E HA -0.036 4.315 4.350 0.001 0.000 0.192 184 E C 2.325 178.901 176.600 -0.040 0.000 0.984 184 E CA 0.919 57.294 56.400 -0.042 0.000 0.806 184 E CB -0.264 29.414 29.700 -0.038 0.000 0.750 184 E HN 0.621 nan 8.360 nan 0.000 0.458 185 A N 0.964 123.752 122.820 -0.053 0.000 1.969 185 A HA -0.150 4.170 4.320 0.001 0.000 0.218 185 A C 2.321 179.883 177.584 -0.036 0.000 1.169 185 A CA 2.029 54.038 52.037 -0.046 0.000 0.635 185 A CB -0.449 18.514 19.000 -0.062 0.000 0.810 185 A HN 0.382 nan 8.150 nan 0.000 0.445 186 T N -6.622 107.911 114.554 -0.035 0.000 2.955 186 T HA 0.444 4.794 4.350 0.001 0.000 0.251 186 T C 1.450 176.138 174.700 -0.019 0.000 1.002 186 T CA 1.073 63.157 62.100 -0.026 0.000 0.970 186 T CB 0.481 69.337 68.868 -0.021 0.000 1.091 186 T HN 1.669 nan 8.240 nan 0.000 0.495 187 G N 1.325 110.113 108.800 -0.019 0.000 2.195 187 G HA2 -0.192 3.769 3.960 0.001 0.000 0.246 187 G HA3 -0.192 3.769 3.960 0.001 0.000 0.246 187 G C -0.109 174.785 174.900 -0.009 0.000 0.984 187 G CA 0.033 45.125 45.100 -0.015 0.000 0.633 187 G HN 0.792 nan 8.290 nan 0.000 0.525 188 L N 1.588 122.810 121.223 -0.002 0.000 2.410 188 L HA 0.585 4.926 4.340 0.001 0.000 0.273 188 L C 0.589 177.460 176.870 0.002 0.000 1.152 188 L CA 0.036 54.883 54.840 0.013 0.000 0.855 188 L CB 0.596 42.684 42.059 0.048 0.000 1.129 188 L HN 0.353 nan 8.230 nan 0.000 0.463 189 Q N 5.472 125.270 119.800 -0.003 0.000 2.288 189 Q HA 0.546 4.887 4.340 0.001 0.000 0.254 189 Q C -1.064 174.915 176.000 -0.036 0.000 0.932 189 Q CA 0.115 55.905 55.803 -0.022 0.000 0.902 189 Q CB 1.506 30.230 28.738 -0.023 0.000 1.203 189 Q HN 0.605 nan 8.270 nan 0.000 0.415 190 I N 3.216 123.752 120.570 -0.057 0.000 2.499 190 I HA 0.277 4.448 4.170 0.001 0.000 0.288 190 I C -1.181 174.874 176.117 -0.104 0.000 1.048 190 I CA -0.918 60.328 61.300 -0.089 0.000 1.062 190 I CB 1.381 39.321 38.000 -0.100 0.000 1.238 190 I HN 0.314 nan 8.210 nan 0.000 0.426 191 L N 6.157 127.296 121.223 -0.140 0.000 2.325 191 L HA 0.542 4.883 4.340 0.001 0.000 0.279 191 L C 0.124 176.911 176.870 -0.139 0.000 1.054 191 L CA -0.188 54.575 54.840 -0.129 0.000 0.804 191 L CB 1.430 43.391 42.059 -0.164 0.000 1.200 191 L HN 0.765 nan 8.230 nan 0.000 0.436 192 C N 0.512 119.753 119.300 -0.097 0.000 2.505 192 C HA 1.009 5.470 4.460 0.001 0.000 0.358 192 C C 0.268 175.217 174.990 -0.069 0.000 1.226 192 C CA -0.819 58.140 59.018 -0.098 0.000 1.900 192 C CB 1.096 28.790 27.740 -0.077 0.000 2.306 192 C HN 0.969 nan 8.230 nan 0.000 0.512 193 A N 0.322 123.102 122.820 -0.068 0.000 2.288 193 A HA 0.861 5.182 4.320 0.001 0.000 0.328 193 A C -0.186 177.393 177.584 -0.009 0.000 1.123 193 A CA -0.266 51.750 52.037 -0.035 0.000 0.861 193 A CB 1.156 20.126 19.000 -0.051 0.000 1.272 193 A HN 1.363 nan 8.150 nan 0.000 0.490 194 T N -0.917 113.651 114.554 0.023 0.000 2.879 194 T HA 0.675 5.025 4.350 0.001 0.000 0.290 194 T C -0.326 174.433 174.700 0.099 0.000 0.993 194 T CA 0.488 62.624 62.100 0.059 0.000 0.975 194 T CB 0.809 69.714 68.868 0.061 0.000 0.981 194 T HN 2.339 nan 8.240 nan 0.000 0.439 195 G N 2.968 111.869 108.800 0.168 0.000 2.339 195 G HA2 0.411 4.372 3.960 0.001 0.000 0.302 195 G HA3 0.411 4.372 3.960 0.001 0.000 0.302 195 G C -2.261 172.799 174.900 0.267 0.000 1.425 195 G CA -0.823 44.420 45.100 0.238 0.000 0.899 195 G HN 0.579 nan 8.290 nan 0.000 0.619 196 F N -0.245 119.636 119.950 -0.115 0.000 2.538 196 F HA 0.720 5.248 4.527 0.000 0.000 0.325 196 F C 0.248 175.999 175.800 -0.082 0.000 1.066 196 F CA -0.881 57.023 58.000 -0.160 0.000 0.946 196 F CB 1.745 40.517 39.000 -0.380 0.000 1.199 196 F HN 0.545 nan 8.300 nan 0.000 0.473 197 Y N 1.789 122.112 120.300 0.037 0.000 2.258 197 Y HA 0.137 4.689 4.550 0.003 0.000 0.345 197 Y C 0.142 176.125 175.900 0.139 0.000 1.303 197 Y CA -1.289 56.863 58.100 0.086 0.000 1.537 197 Y CB 0.202 38.720 38.460 0.096 0.000 1.383 197 Y HN 0.506 nan 8.280 nan 0.000 0.606 198 Y N -0.159 119.988 120.300 -0.254 0.000 2.385 198 Y HA 0.151 4.700 4.550 -0.001 0.000 0.346 198 Y C 1.464 177.362 175.900 -0.003 0.000 1.270 198 Y CA -0.427 57.592 58.100 -0.134 0.000 1.472 198 Y CB 0.134 38.419 38.460 -0.291 0.000 1.354 198 Y HN 0.757 nan 8.280 nan 0.000 0.611 199 E N 1.482 121.694 120.200 0.020 0.000 2.160 199 E HA -0.147 4.204 4.350 0.001 0.000 0.195 199 E C 2.110 178.485 176.600 -0.375 0.000 0.991 199 E CA 1.341 57.650 56.400 -0.151 0.000 0.810 199 E CB -0.521 29.180 29.700 0.001 0.000 0.742 199 E HN 1.112 nan 8.360 nan 0.000 0.466 200 G N -0.007 108.405 108.800 -0.646 0.000 2.443 200 G HA2 -0.219 3.742 3.960 0.001 0.000 0.219 200 G HA3 -0.219 3.742 3.960 0.001 0.000 0.219 200 G C 1.177 175.708 174.900 -0.615 0.000 1.131 200 G CA 0.744 45.506 45.100 -0.565 0.000 0.775 200 G HN 0.288 nan 8.290 nan 0.000 0.547 201 E N -1.026 118.619 120.200 -0.925 0.000 2.639 201 E HA 0.190 4.541 4.350 0.001 0.000 0.225 201 E C 1.374 177.944 176.600 -0.048 0.000 0.921 201 E CA -0.200 56.005 56.400 -0.325 0.000 1.184 201 E CB 1.023 30.687 29.700 -0.060 0.000 1.160 201 E HN 0.284 nan 8.360 nan 0.000 0.547 202 G N 0.932 109.670 108.800 -0.103 0.000 2.616 202 G HA2 0.401 4.362 3.960 0.001 0.000 0.268 202 G HA3 0.401 4.362 3.960 0.001 0.000 0.268 202 G C -0.212 174.745 174.900 0.095 0.000 1.213 202 G CA -0.180 44.993 45.100 0.122 0.000 0.926 202 G HN 0.140 nan 8.290 nan 0.000 0.523 203 A N 0.097 123.020 122.820 0.173 0.000 2.798 203 A HA 0.473 4.793 4.320 0.001 0.000 0.316 203 A C 1.396 179.157 177.584 0.295 0.000 1.506 203 A CA 0.317 52.455 52.037 0.169 0.000 1.162 203 A CB -0.336 18.752 19.000 0.146 0.000 1.138 203 A HN 0.969 nan 8.150 nan 0.000 0.532 204 T N -1.431 113.195 114.554 0.121 0.000 3.057 204 T HA -0.065 4.285 4.350 0.001 0.000 0.254 204 T C 1.594 176.366 174.700 0.120 0.000 1.094 204 T CA 1.411 63.517 62.100 0.011 0.000 1.088 204 T CB -0.392 68.149 68.868 -0.545 0.000 0.934 204 T HN 0.383 nan 8.240 nan 0.000 0.497 205 T N 1.164 115.793 114.554 0.124 0.000 2.665 205 T HA -0.144 4.206 4.350 0.001 0.000 0.268 205 T C 1.348 176.177 174.700 0.215 0.000 1.035 205 T CA 1.781 63.957 62.100 0.127 0.000 1.151 205 T CB -0.707 68.205 68.868 0.073 0.000 0.862 205 T HN 0.525 nan 8.240 nan 0.000 0.438 206 Y N 0.940 121.313 120.300 0.121 0.000 2.070 206 Y HA -0.175 4.375 4.550 0.001 0.000 0.280 206 Y C 1.945 177.880 175.900 0.059 0.000 1.148 206 Y CA 1.339 59.468 58.100 0.049 0.000 1.125 206 Y CB -0.579 37.859 38.460 -0.036 0.000 0.975 206 Y HN 0.155 nan 8.280 nan 0.000 0.492 207 F N 0.424 120.563 119.950 0.315 0.000 2.456 207 F HA -0.022 4.505 4.527 0.000 0.000 0.298 207 F C 2.177 178.100 175.800 0.205 0.000 1.104 207 F CA 1.096 59.189 58.000 0.155 0.000 1.435 207 F CB -0.359 38.754 39.000 0.188 0.000 1.078 207 F HN -0.007 nan 8.300 nan 0.000 0.546 208 K N -0.803 119.874 120.400 0.461 0.000 2.097 208 K HA -0.200 4.121 4.320 0.001 0.000 0.206 208 K C 2.036 178.759 176.600 0.204 0.000 1.049 208 K CA 1.420 57.901 56.287 0.322 0.000 0.933 208 K CB -0.461 32.161 32.500 0.203 0.000 0.717 208 K HN 0.201 nan 8.250 nan 0.000 0.442 209 F N 2.300 122.253 119.950 0.004 0.000 2.113 209 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 209 F C 2.097 177.832 175.800 -0.108 0.000 1.103 209 F CA 1.332 59.291 58.000 -0.069 0.000 1.248 209 F CB 0.036 38.964 39.000 -0.121 0.000 0.999 209 F HN -0.135 nan 8.300 nan 0.000 0.475 210 R N 0.758 121.136 120.500 -0.202 0.000 2.105 210 R HA -0.107 4.234 4.340 0.001 0.000 0.239 210 R C 2.333 178.533 176.300 -0.165 0.000 1.135 210 R CA 1.234 57.169 56.100 -0.276 0.000 0.967 210 R CB -1.732 28.441 30.300 -0.211 0.000 0.861 210 R HN 0.426 nan 8.270 nan 0.000 0.442 211 A N 1.268 124.060 122.820 -0.047 0.000 1.969 211 A HA -0.136 4.184 4.320 0.001 0.000 0.218 211 A C 2.316 179.854 177.584 -0.077 0.000 1.169 211 A CA 1.713 53.731 52.037 -0.031 0.000 0.635 211 A CB -0.412 18.616 19.000 0.047 0.000 0.810 211 A HN 0.459 nan 8.150 nan 0.000 0.445 212 S N -0.334 115.294 115.700 -0.120 0.000 2.428 212 S HA 0.028 4.499 4.470 0.001 0.000 0.230 212 S C 1.717 176.200 174.600 -0.195 0.000 1.014 212 S CA 1.200 59.321 58.200 -0.132 0.000 0.957 212 S CB -0.463 62.665 63.200 -0.121 0.000 0.784 212 S HN 0.452 nan 8.310 nan 0.000 0.499 213 L N 0.367 121.411 121.223 -0.299 0.000 2.249 213 L HA 0.404 4.744 4.340 0.001 0.000 0.207 213 L C 1.621 178.388 176.870 -0.172 0.000 1.090 213 L CA 0.568 55.239 54.840 -0.281 0.000 0.802 213 L CB -0.394 41.413 42.059 -0.420 0.000 0.947 213 L HN 0.601 nan 8.230 nan 0.000 0.453 214 G N -1.538 107.175 108.800 -0.145 0.000 2.619 214 G HA2 0.005 3.965 3.960 0.001 0.000 0.146 214 G HA3 0.005 3.965 3.960 0.001 0.000 0.146 214 G C -1.606 173.249 174.900 -0.076 0.000 1.192 214 G CA -0.341 44.701 45.100 -0.096 0.000 1.063 214 G HN -0.143 nan 8.290 nan 0.000 0.538 215 D N 1.387 121.751 120.400 -0.060 0.000 2.517 215 D HA 0.550 5.190 4.640 0.001 0.000 0.220 215 D C 1.479 177.747 176.300 -0.053 0.000 1.158 215 D CA 0.405 54.371 54.000 -0.057 0.000 0.992 215 D CB 0.707 41.478 40.800 -0.048 0.000 1.058 215 D HN 0.513 nan 8.370 nan 0.000 0.516 216 A N 3.217 125.997 122.820 -0.065 0.000 1.933 216 A HA -0.182 4.139 4.320 0.001 0.000 0.218 216 A C 1.962 179.422 177.584 -0.206 0.000 1.175 216 A CA 1.289 53.287 52.037 -0.065 0.000 0.628 216 A CB -0.351 18.620 19.000 -0.049 0.000 0.814 216 A HN 0.620 nan 8.150 nan 0.000 0.444 217 E N -0.107 119.968 120.200 -0.209 0.000 2.085 217 E HA -0.168 4.183 4.350 0.001 0.000 0.194 217 E C 2.043 178.562 176.600 -0.135 0.000 0.994 217 E CA 1.447 57.704 56.400 -0.239 0.000 0.801 217 E CB -0.121 29.478 29.700 -0.168 0.000 0.743 217 E HN 0.530 nan 8.360 nan 0.000 0.453 218 S N 0.405 116.065 115.700 -0.066 0.000 2.383 218 S HA -0.115 4.355 4.470 0.001 0.000 0.227 218 S C 1.634 176.287 174.600 0.088 0.000 1.026 218 S CA 1.060 59.279 58.200 0.030 0.000 0.981 218 S CB -0.120 63.083 63.200 0.005 0.000 0.818 218 S HN 0.336 nan 8.310 nan 0.000 0.472 219 E N 0.754 120.973 120.200 0.032 0.000 2.106 219 E HA -0.059 4.292 4.350 0.001 0.000 0.192 219 E C 1.892 178.507 176.600 0.025 0.000 0.984 219 E CA 0.917 57.371 56.400 0.090 0.000 0.806 219 E CB -0.225 29.593 29.700 0.196 0.000 0.750 219 E HN 0.485 nan 8.360 nan 0.000 0.458 220 I N 0.538 120.981 120.570 -0.211 0.000 2.252 220 I HA -0.266 3.905 4.170 0.001 0.000 0.245 220 I C 2.497 178.523 176.117 -0.153 0.000 1.102 220 I CA 0.992 62.048 61.300 -0.408 0.000 1.385 220 I CB -0.275 37.197 38.000 -0.881 0.000 1.064 220 I HN 0.127 nan 8.210 nan 0.000 0.414 221 Y N 2.148 122.344 120.300 -0.173 0.000 2.128 221 Y HA -0.290 4.260 4.550 0.001 0.000 0.284 221 Y C 2.322 178.197 175.900 -0.042 0.000 1.154 221 Y CA 1.822 59.864 58.100 -0.096 0.000 1.149 221 Y CB -0.370 38.037 38.460 -0.088 0.000 0.976 221 Y HN 0.169 nan 8.280 nan 0.000 0.505 222 E N 0.084 120.166 120.200 -0.196 0.000 2.077 222 E HA -0.256 4.095 4.350 0.001 0.000 0.193 222 E C 2.338 178.844 176.600 -0.157 0.000 0.989 222 E CA 1.587 57.853 56.400 -0.224 0.000 0.800 222 E CB -0.299 29.399 29.700 -0.002 0.000 0.746 222 E HN 0.643 nan 8.360 nan 0.000 0.452 223 M N 0.240 119.810 119.600 -0.051 0.000 2.067 223 M HA -0.221 4.260 4.480 0.001 0.000 0.260 223 M C 2.169 178.456 176.300 -0.022 0.000 1.069 223 M CA 1.648 56.964 55.300 0.025 0.000 1.117 223 M CB -0.023 32.662 32.600 0.141 0.000 1.334 223 M HN 0.125 nan 8.290 nan 0.000 0.407 224 M N -0.609 118.954 119.600 -0.061 0.000 2.080 224 M HA -0.233 4.248 4.480 0.001 0.000 0.260 224 M C 2.422 178.650 176.300 -0.121 0.000 1.068 224 M CA 1.858 57.123 55.300 -0.057 0.000 1.109 224 M CB -0.692 31.879 32.600 -0.048 0.000 1.342 224 M HN 0.334 nan 8.290 nan 0.000 0.405 225 R N -0.124 120.211 120.500 -0.274 0.000 2.091 225 R HA -0.140 4.201 4.340 0.001 0.000 0.238 225 R C 1.951 178.161 176.300 -0.149 0.000 1.136 225 R CA 2.085 58.017 56.100 -0.280 0.000 0.959 225 R CB -0.375 29.591 30.300 -0.557 0.000 0.856 225 R HN 0.329 nan 8.270 nan 0.000 0.437 226 T N 0.878 115.356 114.554 -0.127 0.000 2.746 226 T HA -0.108 4.243 4.350 0.001 0.000 0.267 226 T C 1.464 176.150 174.700 -0.023 0.000 1.039 226 T CA 1.518 63.584 62.100 -0.056 0.000 1.142 226 T CB -0.114 68.735 68.868 -0.032 0.000 0.866 226 T HN 0.440 nan 8.240 nan 0.000 0.444 227 E N 0.349 120.541 120.200 -0.013 0.000 2.204 227 E HA -0.051 4.299 4.350 0.001 0.000 0.194 227 E C 2.216 178.823 176.600 0.012 0.000 0.989 227 E CA 0.663 57.069 56.400 0.009 0.000 0.824 227 E CB -0.060 29.656 29.700 0.027 0.000 0.756 227 E HN 0.271 nan 8.360 nan 0.000 0.477 228 V N 0.965 120.882 119.914 0.004 0.000 2.535 228 V HA -0.147 3.974 4.120 0.001 0.000 0.246 228 V C 2.503 178.627 176.094 0.050 0.000 1.045 228 V CA 2.048 64.368 62.300 0.032 0.000 1.058 228 V CB -0.029 31.801 31.823 0.012 0.000 0.689 228 V HN 0.454 nan 8.190 nan 0.000 0.461 229 T N -3.282 111.284 114.554 0.019 0.000 3.040 229 T HA 0.101 4.452 4.350 0.001 0.000 0.252 229 T C 1.439 176.154 174.700 0.024 0.000 1.064 229 T CA 0.775 62.894 62.100 0.032 0.000 1.110 229 T CB 0.289 69.164 68.868 0.011 0.000 0.921 229 T HN 0.492 nan 8.240 nan 0.000 0.480 230 E N 0.501 120.708 120.200 0.012 0.000 2.288 230 E HA 0.534 4.885 4.350 0.001 0.000 0.200 230 E C 0.886 177.493 176.600 0.012 0.000 0.880 230 E CA 0.185 56.591 56.400 0.011 0.000 0.971 230 E CB 1.012 30.716 29.700 0.005 0.000 0.954 230 E HN 0.607 nan 8.360 nan 0.000 0.489 231 G N 0.506 109.313 108.800 0.011 0.000 2.352 231 G HA2 0.207 4.168 3.960 0.001 0.000 0.302 231 G HA3 0.207 4.168 3.960 0.001 0.000 0.302 231 G C -1.713 173.195 174.900 0.013 0.000 1.370 231 G CA -1.071 44.036 45.100 0.012 0.000 0.918 231 G HN 0.016 nan 8.290 nan 0.000 0.610 232 I N 1.138 121.716 120.570 0.013 0.000 2.377 232 I HA 0.514 4.685 4.170 0.001 0.000 0.293 232 I C 1.249 177.374 176.117 0.014 0.000 0.987 232 I CA 0.510 61.820 61.300 0.016 0.000 1.185 232 I CB 1.742 39.748 38.000 0.011 0.000 1.341 232 I HN 1.951 nan 8.210 nan 0.000 0.455 233 A N 4.862 127.694 122.820 0.019 0.000 2.783 233 A HA -0.142 4.179 4.320 0.001 0.000 0.292 233 A C 1.485 179.077 177.584 0.014 0.000 1.495 233 A CA 0.933 52.980 52.037 0.016 0.000 0.787 233 A CB -2.046 16.959 19.000 0.009 0.000 1.017 233 A HN 1.863 nan 8.150 nan 0.000 0.516 234 G N -2.674 106.135 108.800 0.014 0.000 2.168 234 G HA2 -0.230 3.730 3.960 0.001 0.000 0.263 234 G HA3 -0.230 3.730 3.960 0.001 0.000 0.263 234 G C 1.557 176.463 174.900 0.011 0.000 0.977 234 G CA 1.873 46.980 45.100 0.012 0.000 0.659 234 G HN 2.431 nan 8.290 nan 0.000 0.533 235 T N -2.873 111.687 114.554 0.010 0.000 3.067 235 T HA 0.411 4.762 4.350 0.001 0.000 0.257 235 T C 2.517 177.221 174.700 0.007 0.000 1.105 235 T CA 1.704 63.809 62.100 0.009 0.000 1.104 235 T CB 0.188 69.062 68.868 0.010 0.000 0.925 235 T HN 2.179 nan 8.240 nan 0.000 0.498 236 G N 1.464 110.268 108.800 0.007 0.000 2.199 236 G HA2 -0.214 3.746 3.960 0.001 0.000 0.254 236 G HA3 -0.214 3.746 3.960 0.001 0.000 0.254 236 G C 0.075 174.977 174.900 0.004 0.000 0.982 236 G CA 0.064 45.168 45.100 0.006 0.000 0.632 236 G HN 0.658 nan 8.290 nan 0.000 0.529 237 I N 1.879 122.451 120.570 0.003 0.000 2.379 237 I HA 0.333 4.504 4.170 0.001 0.000 0.290 237 I C 0.959 177.078 176.117 0.002 0.000 1.063 237 I CA -0.308 60.991 61.300 -0.001 0.000 1.351 237 I CB 0.587 38.585 38.000 -0.003 0.000 1.410 237 I HN 0.081 nan 8.210 nan 0.000 0.505 238 R N 4.739 125.241 120.500 0.003 0.000 2.540 238 R HA 0.689 5.030 4.340 0.001 0.000 0.287 238 R C -0.223 176.083 176.300 0.011 0.000 0.980 238 R CA -0.740 55.368 56.100 0.012 0.000 0.966 238 R CB 1.426 31.739 30.300 0.022 0.000 1.106 238 R HN 0.700 nan 8.270 nan 0.000 0.480 239 A N 0.927 123.758 122.820 0.019 0.000 2.401 239 A HA 0.361 4.682 4.320 0.001 0.000 0.259 239 A C 1.053 178.664 177.584 0.045 0.000 1.103 239 A CA -0.109 51.939 52.037 0.018 0.000 0.789 239 A CB 0.500 19.513 19.000 0.022 0.000 1.035 239 A HN 0.942 nan 8.150 nan 0.000 0.491 240 G N 0.665 109.486 108.800 0.035 0.000 3.088 240 G HA2 0.411 4.372 3.960 0.001 0.000 0.217 240 G HA3 0.411 4.372 3.960 0.001 0.000 0.217 240 G C 0.290 175.266 174.900 0.127 0.000 1.159 240 G CA 0.895 46.040 45.100 0.074 0.000 0.760 240 G HN 1.775 nan 8.290 nan 0.000 0.550 241 V N -2.684 117.284 119.914 0.089 0.000 3.178 241 V HA 0.697 4.817 4.120 0.001 0.000 0.302 241 V C -0.777 175.353 176.094 0.060 0.000 1.262 241 V CA -1.509 60.858 62.300 0.111 0.000 1.030 241 V CB 1.839 33.741 31.823 0.131 0.000 1.074 241 V HN -0.040 nan 8.190 nan 0.000 0.438 245 A N 1.119 124.080 122.820 0.236 0.000 2.547 245 A HA 0.883 5.204 4.320 0.001 0.000 0.297 245 A C -0.902 176.939 177.584 0.427 0.000 1.056 245 A CA -0.114 52.124 52.037 0.336 0.000 0.688 245 A CB 2.085 21.202 19.000 0.194 0.000 1.282 245 A HN 0.699 nan 8.150 nan 0.000 0.400 246 S N 0.672 116.603 115.700 0.385 0.000 2.634 246 S HA 0.868 5.339 4.470 0.001 0.000 0.296 246 S C 0.051 174.754 174.600 0.172 0.000 1.104 246 S CA -0.458 57.908 58.200 0.278 0.000 0.920 246 S CB 1.552 64.850 63.200 0.164 0.000 1.111 246 S HN 0.891 nan 8.310 nan 0.000 0.493 247 S N 0.456 116.277 115.700 0.201 0.000 2.655 247 S HA 0.383 4.854 4.470 0.001 0.000 0.265 247 S C 1.310 175.951 174.600 0.068 0.000 1.240 247 S CA -0.865 57.454 58.200 0.197 0.000 0.986 247 S CB 0.783 64.131 63.200 0.247 0.000 0.985 247 S HN 0.756 nan 8.310 nan 0.000 0.562 248 R N 0.793 121.325 120.500 0.053 0.000 2.062 248 R HA -0.103 4.238 4.340 0.001 0.000 0.231 248 R C 0.434 176.743 176.300 0.015 0.000 1.136 248 R CA 1.655 57.762 56.100 0.011 0.000 0.948 248 R CB -0.520 29.782 30.300 0.004 0.000 0.845 248 R HN 0.606 nan 8.270 nan 0.000 0.430 249 D N -0.364 120.053 120.400 0.028 0.000 2.347 249 D HA 0.140 4.781 4.640 0.001 0.000 0.213 249 D C 0.094 176.404 176.300 0.016 0.000 0.985 249 D CA 0.785 54.796 54.000 0.019 0.000 0.879 249 D CB 0.759 41.571 40.800 0.021 0.000 0.919 249 D HN 0.332 nan 8.370 nan 0.000 0.526 250 A N -0.288 122.544 122.820 0.020 0.000 2.549 250 A HA 0.453 4.774 4.320 0.001 0.000 0.291 250 A C -1.520 176.060 177.584 -0.007 0.000 1.034 250 A CA -0.761 51.276 52.037 0.001 0.000 0.655 250 A CB 0.361 19.364 19.000 0.005 0.000 1.299 250 A HN -0.003 nan 8.150 nan 0.000 0.427 251 I N 2.801 123.331 120.570 -0.067 0.000 2.291 251 I HA 0.265 4.436 4.170 0.001 0.000 0.292 251 I C 1.260 177.341 176.117 -0.060 0.000 1.064 251 I CA -0.125 61.095 61.300 -0.133 0.000 1.269 251 I CB 0.995 38.771 38.000 -0.373 0.000 1.418 251 I HN 0.809 nan 8.210 nan 0.000 0.485 252 T N 3.514 118.091 114.554 0.038 0.000 2.802 252 T HA 0.150 4.501 4.350 0.001 0.000 0.305 252 T C -1.725 173.033 174.700 0.096 0.000 1.053 252 T CA -1.230 60.921 62.100 0.084 0.000 1.058 252 T CB 0.978 69.936 68.868 0.150 0.000 0.988 252 T HN 0.266 nan 8.240 nan 0.000 0.539 253 P HA -0.104 nan 4.420 nan 0.000 0.216 253 P C 1.189 178.586 177.300 0.162 0.000 1.153 253 P CA 1.018 64.175 63.100 0.096 0.000 0.858 253 P CB -0.226 31.527 31.700 0.088 0.000 0.789 254 Y N 1.291 121.661 120.300 0.115 0.000 2.097 254 Y HA -0.253 4.298 4.550 0.001 0.000 0.282 254 Y C 2.092 178.192 175.900 0.333 0.000 1.152 254 Y CA 1.837 60.059 58.100 0.202 0.000 1.136 254 Y CB -0.842 37.741 38.460 0.204 0.000 0.975 254 Y HN -0.014 nan 8.280 nan 0.000 0.498 255 E N -0.193 120.206 120.200 0.332 0.000 2.110 255 E HA -0.257 4.094 4.350 0.001 0.000 0.193 255 E C 2.143 178.939 176.600 0.328 0.000 0.988 255 E CA 1.452 58.048 56.400 0.327 0.000 0.804 255 E CB -0.211 29.662 29.700 0.289 0.000 0.745 255 E HN 0.637 nan 8.360 nan 0.000 0.458 256 Q N 0.294 120.164 119.800 0.118 0.000 2.234 256 Q HA -0.161 4.179 4.340 0.001 0.000 0.206 256 Q C 2.333 178.384 176.000 0.086 0.000 0.980 256 Q CA 0.846 56.685 55.803 0.060 0.000 0.869 256 Q CB -0.157 28.566 28.738 -0.026 0.000 0.912 256 Q HN 0.395 nan 8.270 nan 0.000 0.436 257 L N -0.549 120.664 121.223 -0.017 0.000 2.042 257 L HA -0.195 4.146 4.340 0.001 0.000 0.210 257 L C 2.137 178.817 176.870 -0.317 0.000 1.076 257 L CA 1.311 56.006 54.840 -0.242 0.000 0.749 257 L CB -0.476 41.288 42.059 -0.492 0.000 0.893 257 L HN 0.132 nan 8.230 nan 0.000 0.432 258 F N -1.352 118.537 119.950 -0.101 0.000 2.206 258 F HA -0.125 4.402 4.527 0.000 0.000 0.298 258 F C 2.176 177.990 175.800 0.022 0.000 1.090 258 F CA 0.987 58.939 58.000 -0.080 0.000 1.323 258 F CB -0.682 38.269 39.000 -0.081 0.000 1.028 258 F HN -0.126 nan 8.300 nan 0.000 0.492 259 F N 0.642 120.655 119.950 0.105 0.000 2.134 259 F HA -0.144 4.385 4.527 0.003 0.000 0.299 259 F C 2.447 178.255 175.800 0.012 0.000 1.097 259 F CA 1.367 59.403 58.000 0.060 0.000 1.264 259 F CB -0.702 38.326 39.000 0.046 0.000 1.001 259 F HN -0.190 nan 8.300 nan 0.000 0.479 260 R N -0.236 120.365 120.500 0.168 0.000 2.075 260 R HA -0.089 4.251 4.340 0.001 0.000 0.232 260 R C 2.406 178.715 176.300 0.015 0.000 1.126 260 R CA 1.197 57.330 56.100 0.056 0.000 0.963 260 R CB -0.857 29.444 30.300 0.002 0.000 0.858 260 R HN 0.279 nan 8.270 nan 0.000 0.435 261 A N 1.338 124.151 122.820 -0.012 0.000 1.902 261 A HA -0.081 4.239 4.320 0.001 0.000 0.217 261 A C 2.368 180.003 177.584 0.084 0.000 1.181 261 A CA 1.626 53.681 52.037 0.030 0.000 0.623 261 A CB -0.530 18.433 19.000 -0.061 0.000 0.818 261 A HN 0.386 nan 8.150 nan 0.000 0.443 262 A N -0.166 122.675 122.820 0.035 0.000 1.930 262 A HA 0.202 4.523 4.320 0.001 0.000 0.217 262 A C 2.477 180.072 177.584 0.019 0.000 1.175 262 A CA 1.903 53.949 52.037 0.014 0.000 0.627 262 A CB -0.934 18.035 19.000 -0.052 0.000 0.815 262 A HN 1.017 nan 8.150 nan 0.000 0.443 263 A N -0.147 122.687 122.820 0.023 0.000 1.902 263 A HA -0.173 4.148 4.320 0.001 0.000 0.217 263 A C 2.262 179.861 177.584 0.026 0.000 1.181 263 A CA 1.499 53.548 52.037 0.020 0.000 0.623 263 A CB -0.472 18.547 19.000 0.031 0.000 0.818 263 A HN 0.534 nan 8.150 nan 0.000 0.443 264 R N -0.719 119.805 120.500 0.040 0.000 2.073 264 R HA -0.092 4.249 4.340 0.001 0.000 0.234 264 R C 2.059 178.445 176.300 0.145 0.000 1.134 264 R CA 1.562 57.688 56.100 0.043 0.000 0.952 264 R CB -0.617 29.651 30.300 -0.053 0.000 0.850 264 R HN 0.411 nan 8.270 nan 0.000 0.433 265 V N 1.151 121.182 119.914 0.196 0.000 2.427 265 V HA -0.229 3.892 4.120 0.001 0.000 0.248 265 V C 2.546 178.651 176.094 0.018 0.000 1.051 265 V CA 1.527 63.898 62.300 0.118 0.000 1.048 265 V CB -0.494 31.341 31.823 0.019 0.000 0.666 265 V HN 0.323 nan 8.190 nan 0.000 0.456 266 Q N 0.477 120.278 119.800 0.002 0.000 2.084 266 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 266 Q C 2.458 178.438 176.000 -0.032 0.000 0.978 266 Q CA 1.776 57.558 55.803 -0.034 0.000 0.844 266 Q CB -0.163 28.560 28.738 -0.025 0.000 0.898 266 Q HN 0.584 nan 8.270 nan 0.000 0.426 267 R N 0.052 120.548 120.500 -0.007 0.000 2.096 267 R HA -0.124 4.217 4.340 0.001 0.000 0.235 267 R C 2.239 178.535 176.300 -0.007 0.000 1.127 267 R CA 1.576 57.672 56.100 -0.006 0.000 0.968 267 R CB -0.064 30.235 30.300 -0.002 0.000 0.861 267 R HN 0.375 nan 8.270 nan 0.000 0.440 268 E N -0.790 119.416 120.200 0.010 0.000 2.112 268 E HA -0.101 4.250 4.350 0.001 0.000 0.190 268 E C 1.666 178.249 176.600 -0.028 0.000 0.979 268 E CA 1.630 58.039 56.400 0.014 0.000 0.814 268 E CB 0.220 29.962 29.700 0.070 0.000 0.762 268 E HN 0.444 nan 8.360 nan 0.000 0.460 269 T N -4.368 110.132 114.554 -0.089 0.000 2.959 269 T HA 0.294 4.645 4.350 0.001 0.000 0.254 269 T C 1.550 176.045 174.700 -0.342 0.000 1.003 269 T CA 0.413 62.390 62.100 -0.205 0.000 0.950 269 T CB 0.946 69.645 68.868 -0.283 0.000 1.090 269 T HN 0.226 nan 8.240 nan 0.000 0.503 270 G N 1.225 109.891 108.800 -0.223 0.000 2.162 270 G HA2 -0.238 3.722 3.960 0.001 0.000 0.260 270 G HA3 -0.238 3.722 3.960 0.001 0.000 0.260 270 G C 0.252 175.022 174.900 -0.215 0.000 0.976 270 G CA 0.145 45.149 45.100 -0.159 0.000 0.655 270 G HN 0.984 nan 8.290 nan 0.000 0.533 271 V N 1.520 121.203 119.914 -0.385 0.000 2.901 271 V HA 0.439 4.559 4.120 0.001 0.000 0.307 271 V C -1.271 174.829 176.094 0.009 0.000 1.084 271 V CA -0.750 61.454 62.300 -0.160 0.000 1.184 271 V CB 0.937 32.682 31.823 -0.130 0.000 0.941 271 V HN 0.175 nan 8.190 nan 0.000 0.493 272 P HA 0.353 nan 4.420 nan 0.000 0.272 272 P C -0.863 176.470 177.300 0.055 0.000 1.223 272 P CA 0.114 63.247 63.100 0.055 0.000 0.784 272 P CB 0.467 32.237 31.700 0.116 0.000 0.923 273 I N 3.173 123.751 120.570 0.013 0.000 2.436 273 I HA 0.444 4.615 4.170 0.001 0.000 0.289 273 I C 0.189 176.324 176.117 0.029 0.000 1.010 273 I CA -0.869 60.434 61.300 0.005 0.000 1.098 273 I CB 1.217 39.187 38.000 -0.050 0.000 1.266 273 I HN 0.242 nan 8.210 nan 0.000 0.434 274 I N 2.811 123.415 120.570 0.057 0.000 2.740 274 I HA 0.827 4.998 4.170 0.001 0.000 0.303 274 I C -0.301 175.848 176.117 0.053 0.000 1.044 274 I CA -0.317 61.037 61.300 0.091 0.000 1.064 274 I CB 2.354 40.455 38.000 0.168 0.000 1.249 274 I HN 0.573 nan 8.210 nan 0.000 0.433 275 T N 0.111 114.700 114.554 0.059 0.000 2.865 275 T HA 0.482 4.832 4.350 0.001 0.000 0.294 275 T C -1.148 173.568 174.700 0.027 0.000 1.119 275 T CA -0.629 61.506 62.100 0.059 0.000 1.007 275 T CB 1.533 70.423 68.868 0.036 0.000 1.225 275 T HN 0.937 nan 8.240 nan 0.000 0.515 276 H N 0.403 119.455 119.070 -0.031 0.000 2.466 276 H HA 0.655 5.211 4.556 0.000 0.000 0.338 276 H C -0.302 174.996 175.328 -0.050 0.000 1.091 276 H CA -0.393 55.552 56.048 -0.172 0.000 1.207 276 H CB 1.421 31.306 29.762 0.204 0.000 1.466 276 H HN 0.970 nan 8.280 nan 0.000 0.493 277 T N 2.157 116.500 114.554 -0.352 0.000 2.856 277 T HA 0.246 4.597 4.350 0.001 0.000 0.283 277 T C -0.279 174.155 174.700 -0.443 0.000 1.008 277 T CA -1.154 60.834 62.100 -0.187 0.000 0.997 277 T CB 1.838 70.668 68.868 -0.064 0.000 0.992 277 T HN 0.589 nan 8.240 nan 0.000 0.454 278 Q N 1.299 120.932 119.800 -0.279 0.000 2.303 278 Q HA 0.312 4.652 4.340 0.001 0.000 0.257 278 Q C -0.125 175.775 176.000 -0.167 0.000 0.941 278 Q CA 0.141 55.780 55.803 -0.274 0.000 0.931 278 Q CB 0.331 28.933 28.738 -0.228 0.000 1.215 278 Q HN 0.849 nan 8.270 nan 0.000 0.437 279 E N 3.240 123.339 120.200 -0.168 0.000 2.360 279 E HA -0.285 4.066 4.350 0.001 0.000 0.238 279 E C 0.298 176.800 176.600 -0.163 0.000 1.186 279 E CA 0.520 56.838 56.400 -0.136 0.000 0.719 279 E CB -1.778 27.866 29.700 -0.092 0.000 1.236 279 E HN 1.125 nan 8.360 nan 0.000 0.386 280 G N -0.021 108.669 108.800 -0.183 0.000 2.198 280 G HA2 -0.365 3.596 3.960 0.001 0.000 0.260 280 G HA3 -0.365 3.596 3.960 0.001 0.000 0.260 280 G C 0.021 174.705 174.900 -0.360 0.000 1.025 280 G CA 0.958 45.889 45.100 -0.282 0.000 0.769 280 G HN 0.379 nan 8.290 nan 0.000 0.507 281 Q N -1.697 118.030 119.800 -0.121 0.000 2.433 281 Q HA 0.613 4.953 4.340 0.001 0.000 0.279 281 Q C 0.597 176.667 176.000 0.117 0.000 1.105 281 Q CA -0.907 54.894 55.803 -0.004 0.000 0.815 281 Q CB 1.431 30.145 28.738 -0.040 0.000 1.403 281 Q HN 0.185 nan 8.270 nan 0.000 0.435 282 Q N -1.216 118.680 119.800 0.160 0.000 2.385 282 Q HA -0.194 4.146 4.340 0.001 0.000 0.215 282 Q C 0.848 176.865 176.000 0.029 0.000 0.671 282 Q CA 1.131 56.978 55.803 0.073 0.000 1.335 282 Q CB -2.260 26.494 28.738 0.026 0.000 1.425 282 Q HN 1.069 nan 8.270 nan 0.000 0.781 283 G N 1.317 110.132 108.800 0.026 0.000 2.459 283 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 283 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 283 G C -0.988 173.773 174.900 -0.232 0.000 1.183 283 G CA 1.318 46.312 45.100 -0.177 0.000 0.776 283 G HN 0.396 nan 8.290 nan 0.000 0.552 284 P HA -0.060 nan 4.420 nan 0.000 0.216 284 P C 1.791 178.990 177.300 -0.168 0.000 1.153 284 P CA 1.256 64.249 63.100 -0.177 0.000 0.848 284 P CB 0.001 31.636 31.700 -0.109 0.000 0.787 285 Q N -0.598 119.140 119.800 -0.104 0.000 2.124 285 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 285 Q C 2.324 178.253 176.000 -0.117 0.000 0.977 285 Q CA 1.568 57.313 55.803 -0.097 0.000 0.850 285 Q CB -0.741 27.957 28.738 -0.068 0.000 0.901 285 Q HN 0.391 nan 8.270 nan 0.000 0.429 286 Q N -0.701 119.055 119.800 -0.072 0.000 2.079 286 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 286 Q C 2.081 178.080 176.000 -0.001 0.000 0.974 286 Q CA 1.250 57.087 55.803 0.058 0.000 0.840 286 Q CB -0.189 28.658 28.738 0.182 0.000 0.898 286 Q HN 0.445 nan 8.270 nan 0.000 0.430 287 A N 0.994 123.711 122.820 -0.173 0.000 1.898 287 A HA -0.232 4.089 4.320 0.001 0.000 0.216 287 A C 1.934 179.234 177.584 -0.472 0.000 1.181 287 A CA 1.721 53.574 52.037 -0.307 0.000 0.620 287 A CB -0.456 18.299 19.000 -0.408 0.000 0.819 287 A HN 0.320 nan 8.150 nan 0.000 0.442 288 E N -0.039 119.779 120.200 -0.637 0.000 2.051 288 E HA -0.183 4.168 4.350 0.001 0.000 0.192 288 E C 1.791 178.320 176.600 -0.118 0.000 0.991 288 E CA 1.491 57.673 56.400 -0.363 0.000 0.799 288 E CB -0.513 29.082 29.700 -0.176 0.000 0.748 288 E HN 0.376 nan 8.360 nan 0.000 0.449 289 L N 0.171 121.344 121.223 -0.083 0.000 2.017 289 L HA -0.090 4.251 4.340 0.001 0.000 0.208 289 L C 2.299 179.198 176.870 0.049 0.000 1.073 289 L CA 1.744 56.577 54.840 -0.012 0.000 0.745 289 L CB -0.602 41.438 42.059 -0.031 0.000 0.894 289 L HN 0.302 nan 8.230 nan 0.000 0.432 290 L N -0.984 120.289 121.223 0.083 0.000 2.056 290 L HA -0.195 4.146 4.340 0.001 0.000 0.207 290 L C 2.513 179.402 176.870 0.032 0.000 1.078 290 L CA 1.776 56.666 54.840 0.085 0.000 0.749 290 L CB -1.140 40.964 42.059 0.073 0.000 0.901 290 L HN 0.504 nan 8.230 nan 0.000 0.433 291 T N -3.447 111.111 114.554 0.008 0.000 2.821 291 T HA -0.152 4.198 4.350 0.001 0.000 0.267 291 T C 2.030 176.746 174.700 0.027 0.000 1.046 291 T CA 1.158 63.271 62.100 0.022 0.000 1.139 291 T CB -0.545 68.353 68.868 0.049 0.000 0.871 291 T HN 0.428 nan 8.240 nan 0.000 0.454 292 S N 1.761 117.474 115.700 0.022 0.000 2.423 292 S HA 0.091 4.561 4.470 0.001 0.000 0.231 292 S C 1.874 176.483 174.600 0.015 0.000 1.014 292 S CA 0.500 58.712 58.200 0.021 0.000 0.965 292 S CB -0.880 62.329 63.200 0.016 0.000 0.785 292 S HN 0.531 nan 8.310 nan 0.000 0.495 293 L N 0.949 122.183 121.223 0.020 0.000 2.591 293 L HA 0.313 4.654 4.340 0.001 0.000 0.228 293 L C 1.810 178.685 176.870 0.009 0.000 1.133 293 L CA 0.404 55.253 54.840 0.016 0.000 0.880 293 L CB -0.387 41.691 42.059 0.032 0.000 1.033 293 L HN 0.632 nan 8.230 nan 0.000 0.450 294 G N -0.255 108.551 108.800 0.011 0.000 2.157 294 G HA2 -0.236 3.724 3.960 0.001 0.000 0.239 294 G HA3 -0.236 3.724 3.960 0.001 0.000 0.239 294 G C 0.353 175.257 174.900 0.006 0.000 0.982 294 G CA -0.068 45.036 45.100 0.007 0.000 0.650 294 G HN 0.458 nan 8.290 nan 0.000 0.527 295 A N 0.054 122.879 122.820 0.009 0.000 2.371 295 A HA 0.533 4.854 4.320 0.001 0.000 0.257 295 A C 0.354 177.939 177.584 0.003 0.000 1.089 295 A CA 0.383 52.422 52.037 0.002 0.000 0.794 295 A CB 0.450 19.451 19.000 0.001 0.000 1.029 295 A HN 0.386 nan 8.150 nan 0.000 0.488 296 D N 2.788 123.185 120.400 -0.004 0.000 2.358 296 D HA 0.159 4.800 4.640 0.001 0.000 0.258 296 D C -1.152 175.146 176.300 -0.004 0.000 1.223 296 D CA -1.775 52.223 54.000 -0.003 0.000 0.886 296 D CB 0.987 41.782 40.800 -0.009 0.000 1.120 296 D HN 0.221 nan 8.370 nan 0.000 0.482 297 P HA -0.165 nan 4.420 nan 0.000 0.219 297 P C 0.819 178.117 177.300 -0.004 0.000 1.146 297 P CA 0.821 63.929 63.100 0.013 0.000 0.808 297 P CB 0.158 31.881 31.700 0.037 0.000 0.779 298 A N -0.490 122.324 122.820 -0.010 0.000 2.209 298 A HA -0.027 4.293 4.320 0.001 0.000 0.212 298 A C 1.917 179.467 177.584 -0.058 0.000 1.158 298 A CA 0.760 52.782 52.037 -0.025 0.000 0.742 298 A CB -0.542 18.448 19.000 -0.016 0.000 0.790 298 A HN -0.006 nan 8.150 nan 0.000 0.472 299 R N -0.678 119.789 120.500 -0.056 0.000 2.577 299 R HA 0.420 4.761 4.340 0.001 0.000 0.344 299 R C -0.764 175.485 176.300 -0.086 0.000 1.037 299 R CA 0.096 56.146 56.100 -0.084 0.000 1.102 299 R CB 0.065 30.335 30.300 -0.048 0.000 1.313 299 R HN 0.431 nan 8.270 nan 0.000 0.561 300 I N 1.019 121.548 120.570 -0.068 0.000 2.433 300 I HA 0.402 4.573 4.170 0.001 0.000 0.292 300 I C -0.257 175.834 176.117 -0.043 0.000 1.001 300 I CA -0.566 60.706 61.300 -0.048 0.000 1.119 300 I CB 2.128 40.112 38.000 -0.026 0.000 1.289 300 I HN -0.205 nan 8.210 nan 0.000 0.438 301 M N 7.213 126.799 119.600 -0.022 0.000 2.085 301 M HA 0.474 4.955 4.480 0.001 0.000 0.309 301 M C -1.352 174.962 176.300 0.023 0.000 0.947 301 M CA -0.742 54.565 55.300 0.012 0.000 0.918 301 M CB 1.070 33.704 32.600 0.056 0.000 1.504 301 M HN 0.353 nan 8.290 nan 0.000 0.420 302 I N 4.320 124.894 120.570 0.005 0.000 2.396 302 I HA 0.344 4.514 4.170 0.001 0.000 0.289 302 I C 0.918 177.020 176.117 -0.026 0.000 1.056 302 I CA 0.103 61.394 61.300 -0.014 0.000 1.365 302 I CB 0.261 38.235 38.000 -0.044 0.000 1.407 302 I HN 0.769 nan 8.210 nan 0.000 0.509 303 G N 4.293 113.054 108.800 -0.064 0.000 2.557 303 G HA2 0.362 4.323 3.960 0.001 0.000 0.302 303 G HA3 0.362 4.323 3.960 0.001 0.000 0.302 303 G C 0.048 174.841 174.900 -0.179 0.000 1.311 303 G CA -0.333 44.687 45.100 -0.133 0.000 1.030 303 G HN 0.759 nan 8.290 nan 0.000 0.509 304 H N -1.275 117.712 119.070 -0.138 0.000 2.731 304 H HA -0.124 4.433 4.556 0.000 0.000 0.305 304 H C 1.733 176.937 175.328 -0.207 0.000 1.132 304 H CA 0.774 56.703 56.048 -0.198 0.000 1.148 304 H CB -1.278 28.318 29.762 -0.277 0.000 1.379 304 H HN 0.302 nan 8.280 nan 0.000 0.398 305 M N 0.184 119.698 119.600 -0.145 0.000 2.476 305 M HA -0.056 4.424 4.480 0.001 0.000 0.262 305 M C 1.529 177.615 176.300 -0.357 0.000 1.079 305 M CA 1.180 56.337 55.300 -0.238 0.000 1.104 305 M CB -0.299 32.134 32.600 -0.279 0.000 1.409 305 M HN 0.322 nan 8.290 nan 0.000 0.467 306 D N -0.695 119.432 120.400 -0.456 0.000 2.371 306 D HA -0.060 4.581 4.640 0.001 0.000 0.221 306 D C 1.687 177.925 176.300 -0.104 0.000 0.986 306 D CA 0.888 54.692 54.000 -0.327 0.000 0.899 306 D CB -1.006 39.751 40.800 -0.071 0.000 0.902 306 D HN 0.347 nan 8.370 nan 0.000 0.530 307 G N -0.160 108.566 108.800 -0.123 0.000 2.679 307 G HA2 -0.139 3.821 3.960 0.001 0.000 0.212 307 G HA3 -0.139 3.821 3.960 0.001 0.000 0.212 307 G C 0.380 175.194 174.900 -0.144 0.000 1.137 307 G CA -0.230 44.796 45.100 -0.123 0.000 0.787 307 G HN 0.396 nan 8.290 nan 0.000 0.534 308 N N -0.998 117.625 118.700 -0.129 0.000 2.296 308 N HA 0.366 5.107 4.740 0.001 0.000 0.294 308 N C 0.869 176.452 175.510 0.120 0.000 1.033 308 N CA -0.236 52.708 53.050 -0.175 0.000 0.839 308 N CB 1.430 39.539 38.487 -0.630 0.000 1.395 308 N HN -0.080 nan 8.380 nan 0.000 0.479 309 T N -1.416 113.176 114.554 0.064 0.000 3.105 309 T HA 0.110 4.460 4.350 0.001 0.000 0.253 309 T C 0.012 174.782 174.700 0.117 0.000 1.047 309 T CA -0.234 61.928 62.100 0.103 0.000 0.944 309 T CB -0.104 68.789 68.868 0.042 0.000 1.016 309 T HN 0.362 nan 8.240 nan 0.000 0.544 310 D N 2.936 123.427 120.400 0.152 0.000 2.359 310 D HA 0.271 4.912 4.640 0.001 0.000 0.230 310 D C -1.371 175.119 176.300 0.317 0.000 1.118 310 D CA -2.693 51.400 54.000 0.155 0.000 0.844 310 D CB 2.012 42.870 40.800 0.095 0.000 1.059 310 D HN -0.008 nan 8.370 nan 0.000 0.493 311 P HA -0.137 nan 4.420 nan 0.000 0.223 311 P C 0.988 178.451 177.300 0.272 0.000 1.144 311 P CA 0.619 63.859 63.100 0.232 0.000 0.783 311 P CB 0.239 31.984 31.700 0.074 0.000 0.771 312 A N -0.728 122.220 122.820 0.213 0.000 1.969 312 A HA -0.203 4.118 4.320 0.001 0.000 0.218 312 A C 2.278 179.964 177.584 0.169 0.000 1.169 312 A CA 1.117 53.249 52.037 0.159 0.000 0.635 312 A CB -1.734 17.338 19.000 0.120 0.000 0.810 312 A HN 0.171 nan 8.150 nan 0.000 0.445 313 Y N 0.427 120.767 120.300 0.067 0.000 2.200 313 Y HA -0.245 4.305 4.550 0.001 0.000 0.290 313 Y C 2.495 178.321 175.900 -0.123 0.000 1.137 313 Y CA 2.171 60.240 58.100 -0.052 0.000 1.163 313 Y CB -0.394 37.987 38.460 -0.131 0.000 0.988 313 Y HN 0.526 nan 8.280 nan 0.000 0.518 314 H N -0.152 118.937 119.070 0.032 0.000 2.357 314 H HA -0.071 4.486 4.556 0.002 0.000 0.301 314 H C 2.263 177.480 175.328 -0.185 0.000 1.082 314 H CA 1.556 57.541 56.048 -0.105 0.000 1.342 314 H CB -0.130 29.634 29.762 0.005 0.000 1.389 314 H HN 0.374 nan 8.280 nan 0.000 0.511 315 R N 0.822 121.322 120.500 -0.000 0.000 2.081 315 R HA -0.142 4.199 4.340 0.001 0.000 0.235 315 R C 2.360 178.633 176.300 -0.046 0.000 1.131 315 R CA 1.261 57.323 56.100 -0.064 0.000 0.960 315 R CB -0.202 30.133 30.300 0.058 0.000 0.856 315 R HN 0.490 nan 8.270 nan 0.000 0.436 316 E N 0.337 120.506 120.200 -0.052 0.000 2.110 316 E HA -0.156 4.194 4.350 0.001 0.000 0.193 316 E C 1.349 177.916 176.600 -0.056 0.000 0.988 316 E CA 1.655 58.019 56.400 -0.060 0.000 0.804 316 E CB 0.135 29.800 29.700 -0.058 0.000 0.745 316 E HN 0.214 nan 8.360 nan 0.000 0.458 317 T N 1.188 115.655 114.554 -0.145 0.000 2.777 317 T HA -0.085 4.265 4.350 0.001 0.000 0.266 317 T C 1.856 176.575 174.700 0.031 0.000 1.040 317 T CA 1.016 63.068 62.100 -0.079 0.000 1.141 317 T CB -0.162 68.533 68.868 -0.288 0.000 0.868 317 T HN 0.149 nan 8.240 nan 0.000 0.444 318 L N 0.648 121.840 121.223 -0.052 0.000 2.191 318 L HA -0.001 4.339 4.340 0.001 0.000 0.212 318 L C 2.753 179.645 176.870 0.035 0.000 1.103 318 L CA 0.904 55.730 54.840 -0.022 0.000 0.769 318 L CB -0.439 41.522 42.059 -0.164 0.000 0.908 318 L HN 0.148 nan 8.230 nan 0.000 0.438 319 R N -0.612 119.879 120.500 -0.016 0.000 2.159 319 R HA -0.184 4.156 4.340 0.001 0.000 0.237 319 R C 2.000 178.209 176.300 -0.151 0.000 1.131 319 R CA 1.177 57.227 56.100 -0.084 0.000 0.982 319 R CB -0.177 30.020 30.300 -0.171 0.000 0.868 319 R HN 0.486 nan 8.270 nan 0.000 0.453 320 H N -1.267 117.801 119.070 -0.004 0.000 2.559 320 H HA 0.043 4.599 4.556 0.001 0.000 0.273 320 H C 1.262 176.594 175.328 0.006 0.000 1.000 320 H CA 1.122 57.168 56.048 -0.003 0.000 1.195 320 H CB 0.513 30.266 29.762 -0.016 0.000 1.368 320 H HN 0.595 nan 8.280 nan 0.000 0.592 321 G N 0.819 109.676 108.800 0.094 0.000 2.176 321 G HA2 -0.312 3.649 3.960 0.001 0.000 0.253 321 G HA3 -0.312 3.649 3.960 0.001 0.000 0.253 321 G C 0.664 175.602 174.900 0.063 0.000 0.979 321 G CA 0.473 45.615 45.100 0.071 0.000 0.641 321 G HN 0.452 nan 8.290 nan 0.000 0.530 322 V N -1.514 118.442 119.914 0.071 0.000 3.170 322 V HA 0.878 4.999 4.120 0.001 0.000 0.309 322 V C 0.737 176.850 176.094 0.032 0.000 1.071 322 V CA 0.094 62.416 62.300 0.037 0.000 1.063 322 V CB 1.518 33.355 31.823 0.024 0.000 1.123 322 V HN 0.449 nan 8.190 nan 0.000 0.464 323 S N 1.907 117.616 115.700 0.016 0.000 2.672 323 S HA 0.787 5.258 4.470 0.001 0.000 0.276 323 S C -0.158 174.464 174.600 0.036 0.000 1.207 323 S CA -0.356 57.862 58.200 0.031 0.000 1.002 323 S CB 1.088 64.296 63.200 0.013 0.000 0.998 323 S HN 1.010 nan 8.310 nan 0.000 0.542 324 I N -1.273 119.340 120.570 0.072 0.000 2.730 324 I HA 0.938 5.108 4.170 0.001 0.000 0.298 324 I C -0.838 175.374 176.117 0.157 0.000 1.089 324 I CA -1.267 60.079 61.300 0.076 0.000 1.041 324 I CB 1.952 39.989 38.000 0.062 0.000 1.235 324 I HN 0.592 nan 8.210 nan 0.000 0.423 325 A N 4.542 127.436 122.820 0.123 0.000 2.355 325 A HA 0.774 5.095 4.320 0.001 0.000 0.317 325 A C -1.405 176.273 177.584 0.157 0.000 1.094 325 A CA -0.369 51.786 52.037 0.197 0.000 0.764 325 A CB 0.821 19.918 19.000 0.162 0.000 1.230 325 A HN 0.602 nan 8.150 nan 0.000 0.448 326 F N 2.391 122.380 119.950 0.065 0.000 2.384 326 F HA 0.240 4.769 4.527 0.002 0.000 0.359 326 F C 0.329 176.152 175.800 0.038 0.000 1.143 326 F CA -0.638 57.397 58.000 0.059 0.000 1.216 326 F CB 1.058 40.078 39.000 0.035 0.000 1.512 326 F HN 0.664 nan 8.300 nan 0.000 0.573 327 D N -0.239 120.243 120.400 0.137 0.000 2.462 327 D HA 0.098 4.738 4.640 0.001 0.000 0.221 327 D C 0.640 176.987 176.300 0.079 0.000 1.173 327 D CA -0.107 53.952 54.000 0.099 0.000 0.831 327 D CB 0.006 40.843 40.800 0.062 0.000 1.001 327 D HN 0.376 nan 8.370 nan 0.000 0.499 328 R N 0.559 121.107 120.500 0.079 0.000 2.727 328 R HA 0.353 4.694 4.340 0.001 0.000 0.410 328 R C -0.164 176.228 176.300 0.153 0.000 1.101 328 R CA -0.519 55.633 56.100 0.087 0.000 1.045 328 R CB 0.640 30.888 30.300 -0.087 0.000 1.380 328 R HN 0.142 nan 8.270 nan 0.000 0.587 329 I N 0.929 121.609 120.570 0.183 0.000 2.598 329 I HA 0.013 4.183 4.170 0.001 0.000 0.284 329 I C 1.288 177.659 176.117 0.423 0.000 1.140 329 I CA 1.164 62.600 61.300 0.227 0.000 1.420 329 I CB 0.818 38.877 38.000 0.099 0.000 1.387 329 I HN 0.646 nan 8.210 nan 0.000 0.553 330 G N 5.238 114.258 108.800 0.366 0.000 2.232 330 G HA2 -0.237 3.724 3.960 0.001 0.000 0.226 330 G HA3 -0.237 3.724 3.960 0.001 0.000 0.226 330 G C -0.113 174.887 174.900 0.167 0.000 0.996 330 G CA -0.560 44.674 45.100 0.224 0.000 0.626 330 G HN 0.452 nan 8.290 nan 0.000 0.509 331 L N 2.692 123.967 121.223 0.087 0.000 2.315 331 L HA 0.599 4.940 4.340 0.001 0.000 0.278 331 L C 0.255 177.056 176.870 -0.115 0.000 1.088 331 L CA -0.507 54.212 54.840 -0.201 0.000 0.899 331 L CB 0.238 41.991 42.059 -0.510 0.000 1.277 331 L HN 0.374 nan 8.230 nan 0.000 0.431 332 Q N 3.147 122.910 119.800 -0.063 0.000 2.293 332 Q HA 0.572 4.913 4.340 0.001 0.000 0.261 332 Q C 1.012 176.984 176.000 -0.047 0.000 0.960 332 Q CA -0.178 55.605 55.803 -0.034 0.000 0.882 332 Q CB 1.544 30.286 28.738 0.007 0.000 1.275 332 Q HN 0.822 nan 8.270 nan 0.000 0.445 333 G N 2.237 111.010 108.800 -0.045 0.000 2.196 333 G HA2 -0.324 3.636 3.960 0.001 0.000 0.268 333 G HA3 -0.324 3.636 3.960 0.001 0.000 0.268 333 G C 0.133 174.997 174.900 -0.060 0.000 0.975 333 G CA 0.414 45.488 45.100 -0.043 0.000 0.648 333 G HN 0.522 nan 8.290 nan 0.000 0.538 334 M N 1.659 121.203 119.600 -0.094 0.000 2.429 334 M HA 0.454 4.934 4.480 0.001 0.000 0.334 334 M C 1.441 177.686 176.300 -0.091 0.000 1.560 334 M CA 0.033 55.266 55.300 -0.111 0.000 1.291 334 M CB -0.136 32.347 32.600 -0.195 0.000 1.754 334 M HN 1.650 nan 8.290 nan 0.000 0.456 335 V N 3.494 123.371 119.914 -0.062 0.000 5.691 335 V HA -0.181 3.940 4.120 0.001 0.000 0.288 335 V C 0.845 176.909 176.094 -0.050 0.000 0.615 335 V CA 0.941 63.214 62.300 -0.046 0.000 0.619 335 V CB -2.894 28.908 31.823 -0.034 0.000 0.296 335 V HN 1.784 nan 8.190 nan 0.000 0.834 336 G N -0.385 108.384 108.800 -0.051 0.000 2.232 336 G HA2 -0.034 3.926 3.960 0.001 0.000 0.226 336 G HA3 -0.034 3.926 3.960 0.001 0.000 0.226 336 G C 0.764 175.626 174.900 -0.064 0.000 0.996 336 G CA 0.255 45.323 45.100 -0.053 0.000 0.626 336 G HN 2.607 nan 8.290 nan 0.000 0.509 337 T N 0.836 115.344 114.554 -0.077 0.000 2.926 337 T HA 0.536 4.887 4.350 0.001 0.000 0.307 337 T C -1.736 172.934 174.700 -0.050 0.000 1.059 337 T CA -0.565 61.487 62.100 -0.080 0.000 1.122 337 T CB 1.665 70.469 68.868 -0.107 0.000 0.972 337 T HN 0.167 nan 8.240 nan 0.000 0.545 338 P HA 0.247 nan 4.420 nan 0.000 0.274 338 P C 0.360 177.664 177.300 0.008 0.000 1.260 338 P CA -0.535 62.561 63.100 -0.007 0.000 0.793 338 P CB 0.249 31.955 31.700 0.010 0.000 1.048 339 T N -2.989 111.578 114.554 0.022 0.000 2.847 339 T HA 0.191 4.541 4.350 0.001 0.000 0.279 339 T C 0.730 175.468 174.700 0.063 0.000 0.984 339 T CA -0.361 61.761 62.100 0.036 0.000 0.988 339 T CB 0.291 69.179 68.868 0.033 0.000 1.040 339 T HN 0.164 nan 8.240 nan 0.000 0.528 340 D N 0.470 120.921 120.400 0.085 0.000 2.178 340 D HA 0.019 4.659 4.640 0.001 0.000 0.202 340 D C 2.277 178.626 176.300 0.082 0.000 0.974 340 D CA 1.374 55.442 54.000 0.114 0.000 0.841 340 D CB -0.641 40.263 40.800 0.173 0.000 0.953 340 D HN 0.721 nan 8.370 nan 0.000 0.478 341 A N 0.888 123.747 122.820 0.064 0.000 1.933 341 A HA -0.192 4.129 4.320 0.001 0.000 0.218 341 A C 2.027 179.637 177.584 0.042 0.000 1.175 341 A CA 1.321 53.385 52.037 0.046 0.000 0.628 341 A CB -0.397 18.625 19.000 0.038 0.000 0.814 341 A HN 0.216 nan 8.150 nan 0.000 0.444 342 E N -0.473 119.756 120.200 0.048 0.000 2.107 342 E HA -0.146 4.204 4.350 0.001 0.000 0.191 342 E C 2.312 178.959 176.600 0.077 0.000 0.982 342 E CA 0.843 57.273 56.400 0.050 0.000 0.809 342 E CB -0.168 29.558 29.700 0.043 0.000 0.756 342 E HN 0.535 nan 8.360 nan 0.000 0.459 343 R N 0.648 121.213 120.500 0.108 0.000 2.073 343 R HA -0.085 4.255 4.340 0.001 0.000 0.234 343 R C 2.494 178.856 176.300 0.103 0.000 1.134 343 R CA 1.018 57.235 56.100 0.196 0.000 0.952 343 R CB -0.379 30.059 30.300 0.230 0.000 0.850 343 R HN 0.179 nan 8.270 nan 0.000 0.433 344 L N 0.197 121.439 121.223 0.032 0.000 2.131 344 L HA -0.167 4.174 4.340 0.001 0.000 0.210 344 L C 2.663 179.505 176.870 -0.047 0.000 1.092 344 L CA 0.990 55.805 54.840 -0.041 0.000 0.759 344 L CB -0.452 41.593 42.059 -0.024 0.000 0.903 344 L HN 0.238 nan 8.230 nan 0.000 0.435 345 S N -0.256 115.439 115.700 -0.008 0.000 2.356 345 S HA -0.136 4.335 4.470 0.001 0.000 0.223 345 S C 1.953 176.539 174.600 -0.023 0.000 1.032 345 S CA 1.295 59.489 58.200 -0.009 0.000 1.005 345 S CB -0.066 63.139 63.200 0.010 0.000 0.867 345 S HN 0.187 nan 8.310 nan 0.000 0.449 346 V N 2.111 122.019 119.914 -0.009 0.000 2.307 346 V HA -0.089 4.031 4.120 0.001 0.000 0.245 346 V C 2.441 178.464 176.094 -0.117 0.000 1.045 346 V CA 1.634 63.910 62.300 -0.040 0.000 1.024 346 V CB -0.672 31.142 31.823 -0.015 0.000 0.651 346 V HN 0.480 nan 8.190 nan 0.000 0.449 347 L N 0.671 121.744 121.223 -0.251 0.000 2.012 347 L HA -0.210 4.130 4.340 0.001 0.000 0.210 347 L C 2.829 179.556 176.870 -0.239 0.000 1.073 347 L CA 2.577 57.116 54.840 -0.502 0.000 0.748 347 L CB -0.714 40.955 42.059 -0.650 0.000 0.891 347 L HN 0.648 nan 8.230 nan 0.000 0.431 348 T N -5.290 109.175 114.554 -0.147 0.000 2.867 348 T HA -0.150 4.201 4.350 0.001 0.000 0.268 348 T C 1.712 176.387 174.700 -0.041 0.000 1.057 348 T CA 1.521 63.572 62.100 -0.082 0.000 1.136 348 T CB -0.597 68.237 68.868 -0.057 0.000 0.874 348 T HN 0.221 nan 8.240 nan 0.000 0.466 349 T N 2.379 116.914 114.554 -0.032 0.000 2.708 349 T HA 0.125 4.475 4.350 0.001 0.000 0.266 349 T C 1.871 176.603 174.700 0.052 0.000 1.037 349 T CA 1.198 63.303 62.100 0.009 0.000 1.146 349 T CB -0.476 68.400 68.868 0.012 0.000 0.865 349 T HN 0.314 nan 8.240 nan 0.000 0.435 350 L N 0.362 121.613 121.223 0.046 0.000 2.093 350 L HA -0.006 4.335 4.340 0.001 0.000 0.208 350 L C 2.455 179.444 176.870 0.198 0.000 1.085 350 L CA 0.981 55.928 54.840 0.179 0.000 0.755 350 L CB -0.596 41.499 42.059 0.061 0.000 0.904 350 L HN 0.238 nan 8.230 nan 0.000 0.435 351 L N -0.301 120.953 121.223 0.052 0.000 2.083 351 L HA -0.132 4.208 4.340 0.001 0.000 0.209 351 L C 2.568 179.451 176.870 0.021 0.000 1.083 351 L CA 1.322 56.179 54.840 0.028 0.000 0.752 351 L CB -0.944 41.097 42.059 -0.030 0.000 0.899 351 L HN 0.321 nan 8.230 nan 0.000 0.433 352 G N -0.857 107.953 108.800 0.017 0.000 2.534 352 G HA2 -0.169 3.791 3.960 0.001 0.000 0.217 352 G HA3 -0.169 3.791 3.960 0.001 0.000 0.217 352 G C 1.244 176.141 174.900 -0.005 0.000 1.128 352 G CA 0.174 45.275 45.100 0.003 0.000 0.784 352 G HN 0.416 nan 8.290 nan 0.000 0.542 353 E N -0.354 119.856 120.200 0.016 0.000 2.444 353 E HA 0.305 4.656 4.350 0.001 0.000 0.191 353 E C 1.487 177.941 176.600 -0.245 0.000 1.041 353 E CA 0.090 56.453 56.400 -0.061 0.000 0.883 353 E CB 0.196 29.932 29.700 0.060 0.000 1.024 353 E HN 0.317 nan 8.360 nan 0.000 0.470 354 G N 1.069 109.787 108.800 -0.137 0.000 2.147 354 G HA2 -0.305 3.655 3.960 0.001 0.000 0.244 354 G HA3 -0.305 3.655 3.960 0.001 0.000 0.244 354 G C 0.169 174.974 174.900 -0.157 0.000 1.005 354 G CA 0.059 45.065 45.100 -0.157 0.000 0.713 354 G HN 0.357 nan 8.290 nan 0.000 0.515 355 Y N -0.045 120.256 120.300 0.002 0.000 2.470 355 Y HA 0.452 5.003 4.550 0.002 0.000 0.284 355 Y C 2.581 178.487 175.900 0.009 0.000 1.188 355 Y CA 0.707 58.815 58.100 0.013 0.000 1.269 355 Y CB -0.097 38.382 38.460 0.032 0.000 1.094 355 Y HN 0.408 nan 8.280 nan 0.000 0.518 356 A N 0.018 122.908 122.820 0.117 0.000 1.997 356 A HA -0.253 4.068 4.320 0.001 0.000 0.221 356 A C 1.802 179.426 177.584 0.067 0.000 1.172 356 A CA 2.222 54.299 52.037 0.066 0.000 0.645 356 A CB -0.448 18.569 19.000 0.027 0.000 0.813 356 A HN 0.305 nan 8.150 nan 0.000 0.454 357 D N -1.129 119.314 120.400 0.071 0.000 2.350 357 D HA -0.039 4.601 4.640 0.001 0.000 0.216 357 D C 1.390 177.733 176.300 0.072 0.000 0.968 357 D CA 0.651 54.686 54.000 0.059 0.000 0.894 357 D CB 0.054 40.883 40.800 0.048 0.000 0.909 357 D HN 0.300 nan 8.370 nan 0.000 0.520 358 R N -0.454 120.110 120.500 0.106 0.000 2.572 358 R HA 0.282 4.623 4.340 0.001 0.000 0.370 358 R C -0.202 176.162 176.300 0.106 0.000 1.005 358 R CA -0.178 55.983 56.100 0.101 0.000 1.146 358 R CB 0.798 31.175 30.300 0.128 0.000 1.390 358 R HN 0.128 nan 8.270 nan 0.000 0.553 359 L N 1.593 122.879 121.223 0.105 0.000 2.322 359 L HA 0.534 4.874 4.340 0.001 0.000 0.281 359 L C -0.594 176.341 176.870 0.107 0.000 1.014 359 L CA -0.867 54.044 54.840 0.119 0.000 0.815 359 L CB 1.465 43.557 42.059 0.055 0.000 1.247 359 L HN -0.241 nan 8.230 nan 0.000 0.421 360 L N 3.953 125.271 121.223 0.158 0.000 2.323 360 L HA 0.655 4.995 4.340 0.001 0.000 0.265 360 L C -0.720 176.243 176.870 0.154 0.000 1.012 360 L CA -0.267 54.658 54.840 0.142 0.000 0.820 360 L CB 2.173 44.334 42.059 0.170 0.000 1.334 360 L HN 0.377 nan 8.230 nan 0.000 0.427 361 L N 0.547 121.829 121.223 0.098 0.000 2.385 361 L HA 0.817 5.157 4.340 0.001 0.000 0.273 361 L C -0.343 176.527 176.870 -0.001 0.000 0.990 361 L CA -0.174 54.696 54.840 0.050 0.000 0.821 361 L CB 1.910 43.951 42.059 -0.030 0.000 1.279 361 L HN 0.587 nan 8.230 nan 0.000 0.412 362 S N -0.980 114.700 115.700 -0.033 0.000 2.688 362 S HA 0.493 4.963 4.470 0.001 0.000 0.275 362 S C -0.203 174.306 174.600 -0.152 0.000 1.175 362 S CA -0.536 57.613 58.200 -0.085 0.000 0.818 362 S CB 1.315 64.588 63.200 0.122 0.000 1.157 362 S HN 0.745 nan 8.310 nan 0.000 0.482 363 H N 0.334 119.518 119.070 0.191 0.000 2.855 363 H HA 0.227 4.783 4.556 0.001 0.000 0.259 363 H C -0.261 175.279 175.328 0.354 0.000 0.972 363 H CA 0.487 56.686 56.048 0.251 0.000 1.213 363 H CB 0.285 30.161 29.762 0.190 0.000 1.451 363 H HN 0.692 nan 8.280 nan 0.000 0.484 364 D N 2.188 122.850 120.400 0.436 0.000 2.800 364 D HA -0.149 4.492 4.640 0.001 0.000 0.232 364 D C 0.020 176.672 176.300 0.587 0.000 1.137 364 D CA 0.762 55.054 54.000 0.486 0.000 0.718 364 D CB -1.106 39.889 40.800 0.324 0.000 1.084 364 D HN 0.482 nan 8.370 nan 0.000 0.432 365 S N -0.704 115.173 115.700 0.296 0.000 2.603 365 S HA 0.570 5.040 4.470 0.001 0.000 0.268 365 S C 0.576 175.087 174.600 -0.149 0.000 1.317 365 S CA -0.653 57.418 58.200 -0.216 0.000 1.012 365 S CB 1.577 64.657 63.200 -0.199 0.000 0.926 365 S HN 0.294 nan 8.310 nan 0.000 0.539 366 I N 2.027 122.319 120.570 -0.464 0.000 2.410 366 I HA 0.248 4.419 4.170 0.001 0.000 0.286 366 I C -0.098 175.933 176.117 -0.143 0.000 1.009 366 I CA -0.686 60.369 61.300 -0.407 0.000 1.111 366 I CB 1.342 38.797 38.000 -0.909 0.000 1.262 366 I HN 0.800 nan 8.210 nan 0.000 0.443 367 W N 3.012 124.179 121.300 -0.222 0.000 2.453 367 W HA 0.001 4.662 4.660 0.001 0.000 0.289 367 W C 0.946 177.475 176.519 0.017 0.000 1.215 367 W CA 0.249 57.535 57.345 -0.099 0.000 1.297 367 W CB -0.623 28.825 29.460 -0.019 0.000 1.113 367 W HN 0.454 nan 8.180 nan 0.000 0.551 368 H N -2.592 116.531 119.070 0.088 0.000 3.096 368 H HA 0.242 4.799 4.556 0.001 0.000 0.335 368 H C -1.322 174.019 175.328 0.021 0.000 0.990 368 H CA -1.201 54.909 56.048 0.103 0.000 1.393 368 H CB 0.546 30.399 29.762 0.152 0.000 1.742 368 H HN -0.229 nan 8.280 nan 0.000 0.501 369 W N 5.670 126.828 121.300 -0.236 0.000 2.218 369 W HA 0.354 5.014 4.660 0.000 0.000 0.326 369 W C -0.340 176.079 176.519 -0.168 0.000 1.276 369 W CA -0.446 56.807 57.345 -0.153 0.000 1.210 369 W CB 0.704 30.100 29.460 -0.108 0.000 1.143 369 W HN 0.349 nan 8.180 nan 0.000 0.563 370 L N 3.384 124.657 121.223 0.083 0.000 2.360 370 L HA 0.796 5.137 4.340 0.001 0.000 0.271 370 L C 1.017 177.927 176.870 0.067 0.000 1.057 370 L CA -0.263 54.530 54.840 -0.078 0.000 0.803 370 L CB 0.718 42.368 42.059 -0.682 0.000 1.207 370 L HN 0.766 nan 8.230 nan 0.000 0.445 371 G N 1.664 110.570 108.800 0.177 0.000 2.587 371 G HA2 -0.184 3.777 3.960 0.001 0.000 0.212 371 G HA3 -0.184 3.777 3.960 0.001 0.000 0.212 371 G C -0.561 174.422 174.900 0.137 0.000 1.327 371 G CA -0.722 44.511 45.100 0.222 0.000 0.898 371 G HN 0.574 nan 8.290 nan 0.000 0.551 372 R N 1.625 122.182 120.500 0.095 0.000 2.490 372 R HA 0.381 4.721 4.340 0.001 0.000 0.280 372 R C -1.704 174.592 176.300 -0.006 0.000 1.077 372 R CA -0.699 55.428 56.100 0.044 0.000 1.065 372 R CB 0.470 30.787 30.300 0.028 0.000 1.003 372 R HN 0.494 nan 8.270 nan 0.000 0.470 373 P HA 0.012 nan 4.420 nan 0.000 0.261 373 P C -2.440 174.772 177.300 -0.147 0.000 1.183 373 P CA -0.834 62.220 63.100 -0.076 0.000 0.761 373 P CB -0.135 31.542 31.700 -0.039 0.000 0.785 374 P HA 0.056 nan 4.420 nan 0.000 0.262 374 P C -0.169 177.023 177.300 -0.181 0.000 1.182 374 P CA 0.336 63.222 63.100 -0.356 0.000 0.761 374 P CB 0.221 31.490 31.700 -0.718 0.000 0.795 375 A N 5.109 127.855 122.820 -0.123 0.000 2.666 375 A HA 0.252 4.572 4.320 0.001 0.000 0.312 375 A C 0.402 177.953 177.584 -0.056 0.000 1.471 375 A CA -0.525 51.470 52.037 -0.069 0.000 1.134 375 A CB -0.885 18.086 19.000 -0.049 0.000 1.129 375 A HN 0.536 nan 8.150 nan 0.000 0.539 376 I N 5.081 125.627 120.570 -0.039 0.000 2.578 376 I HA 0.094 4.265 4.170 0.001 0.000 0.286 376 I C -1.419 174.695 176.117 -0.004 0.000 1.126 376 I CA -1.121 60.172 61.300 -0.011 0.000 1.380 376 I CB 0.468 38.481 38.000 0.022 0.000 1.408 376 I HN 0.510 nan 8.210 nan 0.000 0.532 377 P HA 0.000 nan 4.420 nan 0.000 0.267 377 P C 0.431 177.733 177.300 0.003 0.000 1.205 377 P CA -0.104 62.993 63.100 -0.005 0.000 0.765 377 P CB 1.137 32.831 31.700 -0.009 0.000 0.828 378 E N 3.694 123.895 120.200 0.003 0.000 2.187 378 E HA -0.232 4.119 4.350 0.001 0.000 0.199 378 E C 1.810 178.414 176.600 0.007 0.000 1.004 378 E CA 2.124 58.528 56.400 0.006 0.000 0.813 378 E CB -0.687 29.015 29.700 0.004 0.000 0.736 378 E HN 0.569 nan 8.360 nan 0.000 0.468 379 A N -0.301 122.521 122.820 0.003 0.000 2.067 379 A HA 0.235 4.556 4.320 0.001 0.000 0.217 379 A C 2.174 179.760 177.584 0.004 0.000 1.156 379 A CA 1.203 53.242 52.037 0.002 0.000 0.683 379 A CB -0.277 18.721 19.000 -0.002 0.000 0.808 379 A HN 0.314 nan 8.150 nan 0.000 0.455 380 A N -0.717 122.106 122.820 0.005 0.000 2.238 380 A HA 0.319 4.640 4.320 0.001 0.000 0.210 380 A C 1.700 179.299 177.584 0.025 0.000 1.179 380 A CA 0.177 52.219 52.037 0.007 0.000 0.827 380 A CB -0.257 18.744 19.000 0.002 0.000 0.856 380 A HN 0.323 nan 8.150 nan 0.000 0.488 381 L N 0.590 121.831 121.223 0.030 0.000 2.051 381 L HA -0.145 4.196 4.340 0.001 0.000 0.214 381 L C -0.228 176.671 176.870 0.050 0.000 1.076 381 L CA 2.560 57.427 54.840 0.045 0.000 0.758 381 L CB -2.126 39.954 42.059 0.034 0.000 0.890 381 L HN 0.323 nan 8.230 nan 0.000 0.433 382 P HA -0.081 nan 4.420 nan 0.000 0.222 382 P C 1.338 178.657 177.300 0.032 0.000 1.153 382 P CA 1.437 64.556 63.100 0.032 0.000 0.798 382 P CB 0.087 31.799 31.700 0.021 0.000 0.796 383 A N 0.340 123.173 122.820 0.021 0.000 2.119 383 A HA -0.003 4.317 4.320 0.001 0.000 0.217 383 A C 1.959 179.554 177.584 0.018 0.000 1.153 383 A CA 1.641 53.677 52.037 -0.002 0.000 0.692 383 A CB -0.999 17.982 19.000 -0.033 0.000 0.799 383 A HN 0.239 nan 8.150 nan 0.000 0.458 384 V N -4.254 115.717 119.914 0.095 0.000 3.432 384 V HA 0.281 4.402 4.120 0.001 0.000 0.298 384 V C 1.497 177.748 176.094 0.261 0.000 1.464 384 V CA 0.696 63.144 62.300 0.246 0.000 1.046 384 V CB -0.291 31.737 31.823 0.342 0.000 0.887 384 V HN 0.357 nan 8.190 nan 0.000 0.441 385 K N 0.929 121.417 120.400 0.147 0.000 2.097 385 K HA -0.149 4.172 4.320 0.001 0.000 0.206 385 K C 1.301 177.984 176.600 0.138 0.000 1.049 385 K CA 2.061 58.419 56.287 0.118 0.000 0.933 385 K CB 0.027 32.567 32.500 0.066 0.000 0.717 385 K HN 0.488 nan 8.250 nan 0.000 0.442 386 D N -0.899 119.528 120.400 0.044 0.000 2.340 386 D HA -0.040 4.601 4.640 0.001 0.000 0.217 386 D C -0.539 175.670 176.300 -0.152 0.000 1.081 386 D CA 0.073 53.949 54.000 -0.207 0.000 0.842 386 D CB 0.012 40.381 40.800 -0.718 0.000 0.934 386 D HN 0.269 nan 8.370 nan 0.000 0.511 387 W N 4.672 125.942 121.300 -0.050 0.000 1.664 387 W HA 0.092 4.753 4.660 0.003 0.000 0.428 387 W C -0.125 176.437 176.519 0.071 0.000 0.726 387 W CA -0.340 57.011 57.345 0.010 0.000 1.774 387 W CB -0.898 28.602 29.460 0.067 0.000 1.801 387 W HN 0.044 nan 8.180 nan 0.000 0.243 388 H N 2.449 121.402 119.070 -0.195 0.000 3.037 388 H HA 0.307 4.863 4.556 0.001 0.000 0.355 388 H C -2.480 172.546 175.328 -0.504 0.000 1.263 388 H CA -1.913 53.921 56.048 -0.358 0.000 1.129 388 H CB 1.354 30.972 29.762 -0.240 0.000 1.861 388 H HN -0.063 nan 8.280 nan 0.000 0.546 389 P HA 0.024 nan 4.420 nan 0.000 0.239 389 P C 0.762 177.730 177.300 -0.553 0.000 1.184 389 P CA 0.348 62.932 63.100 -0.861 0.000 0.760 389 P CB 0.243 31.749 31.700 -0.324 0.000 0.884 390 L N -2.039 119.062 121.223 -0.203 0.000 2.616 390 L HA 0.133 4.473 4.340 0.001 0.000 0.229 390 L C 2.511 179.442 176.870 0.101 0.000 1.110 390 L CA 0.017 54.881 54.840 0.041 0.000 0.884 390 L CB -0.904 41.257 42.059 0.169 0.000 1.115 390 L HN 0.023 nan 8.230 nan 0.000 0.481 391 H N 1.308 120.209 119.070 -0.281 0.000 2.353 391 H HA -0.137 4.420 4.556 0.001 0.000 0.300 391 H C 2.091 177.509 175.328 0.150 0.000 1.090 391 H CA 1.892 57.888 56.048 -0.088 0.000 1.327 391 H CB 0.059 29.642 29.762 -0.298 0.000 1.383 391 H HN 0.200 nan 8.280 nan 0.000 0.508 392 I N -0.543 120.172 120.570 0.242 0.000 2.179 392 I HA -0.266 3.904 4.170 0.001 0.000 0.242 392 I C 2.493 178.598 176.117 -0.021 0.000 1.088 392 I CA 1.358 62.618 61.300 -0.067 0.000 1.357 392 I CB -0.305 37.618 38.000 -0.128 0.000 1.051 392 I HN 0.230 nan 8.210 nan 0.000 0.409 393 S N 0.434 116.172 115.700 0.063 0.000 2.359 393 S HA -0.199 4.272 4.470 0.001 0.000 0.224 393 S C 1.538 176.156 174.600 0.030 0.000 1.035 393 S CA 1.668 59.892 58.200 0.041 0.000 1.018 393 S CB -0.262 62.971 63.200 0.055 0.000 0.876 393 S HN 0.440 nan 8.310 nan 0.000 0.448 394 D N 0.513 120.947 120.400 0.057 0.000 2.213 394 D HA 0.036 4.677 4.640 0.001 0.000 0.205 394 D C 1.161 177.494 176.300 0.056 0.000 0.961 394 D CA 0.822 54.861 54.000 0.066 0.000 0.853 394 D CB -0.115 40.752 40.800 0.111 0.000 0.967 394 D HN 0.365 nan 8.370 nan 0.000 0.496 395 D N -0.572 119.847 120.400 0.030 0.000 2.626 395 D HA 0.062 4.703 4.640 0.001 0.000 0.274 395 D C 2.112 178.370 176.300 -0.069 0.000 1.045 395 D CA -0.112 53.899 54.000 0.018 0.000 0.925 395 D CB 0.661 41.544 40.800 0.139 0.000 1.260 395 D HN 0.052 nan 8.370 nan 0.000 0.490 396 I N 1.567 122.026 120.570 -0.185 0.000 2.235 396 I HA -0.078 4.092 4.170 0.001 0.000 0.241 396 I C 2.635 178.696 176.117 -0.094 0.000 1.085 396 I CA 0.722 61.922 61.300 -0.168 0.000 1.378 396 I CB -0.998 36.852 38.000 -0.250 0.000 1.076 396 I HN -0.033 nan 8.210 nan 0.000 0.415 397 L N 0.764 121.942 121.223 -0.075 0.000 2.012 397 L HA -0.162 4.179 4.340 0.001 0.000 0.210 397 L C -0.137 176.714 176.870 -0.032 0.000 1.073 397 L CA 1.741 56.552 54.840 -0.048 0.000 0.748 397 L CB -2.209 39.831 42.059 -0.031 0.000 0.891 397 L HN 0.186 nan 8.230 nan 0.000 0.431 398 P HA -0.145 nan 4.420 nan 0.000 0.217 398 P C 1.015 178.307 177.300 -0.013 0.000 1.150 398 P CA 1.305 64.398 63.100 -0.011 0.000 0.832 398 P CB 0.045 31.745 31.700 0.000 0.000 0.787 399 D N -0.764 119.625 120.400 -0.018 0.000 2.144 399 D HA -0.106 4.535 4.640 0.001 0.000 0.200 399 D C 1.867 178.153 176.300 -0.024 0.000 0.978 399 D CA 0.975 54.966 54.000 -0.015 0.000 0.833 399 D CB -0.661 40.132 40.800 -0.013 0.000 0.961 399 D HN 0.029 nan 8.370 nan 0.000 0.470 400 L N -0.087 121.114 121.223 -0.037 0.000 2.017 400 L HA -0.118 4.223 4.340 0.001 0.000 0.208 400 L C 2.684 179.536 176.870 -0.030 0.000 1.073 400 L CA 0.841 55.656 54.840 -0.043 0.000 0.745 400 L CB -0.368 41.656 42.059 -0.057 0.000 0.894 400 L HN -0.004 nan 8.230 nan 0.000 0.432 401 R N 0.711 121.197 120.500 -0.024 0.000 2.081 401 R HA -0.161 4.180 4.340 0.001 0.000 0.235 401 R C 2.233 178.525 176.300 -0.013 0.000 1.131 401 R CA 1.647 57.736 56.100 -0.017 0.000 0.960 401 R CB -0.729 29.564 30.300 -0.013 0.000 0.856 401 R HN 0.529 nan 8.270 nan 0.000 0.436 402 R N 0.406 120.900 120.500 -0.011 0.000 2.235 402 R HA 0.034 4.375 4.340 0.001 0.000 0.213 402 R C 1.452 177.748 176.300 -0.008 0.000 1.059 402 R CA 0.974 57.070 56.100 -0.007 0.000 0.997 402 R CB -0.174 30.124 30.300 -0.003 0.000 0.884 402 R HN 0.059 nan 8.270 nan 0.000 0.462 403 R N 0.133 120.626 120.500 -0.013 0.000 2.317 403 R HA 0.144 4.485 4.340 0.001 0.000 0.208 403 R C 0.485 176.777 176.300 -0.015 0.000 0.914 403 R CA 0.522 56.614 56.100 -0.014 0.000 1.060 403 R CB 0.793 31.082 30.300 -0.019 0.000 1.015 403 R HN 0.594 nan 8.270 nan 0.000 0.498 404 G N 0.614 109.406 108.800 -0.014 0.000 2.184 404 G HA2 -0.183 3.778 3.960 0.001 0.000 0.206 404 G HA3 -0.183 3.778 3.960 0.001 0.000 0.206 404 G C 0.097 174.987 174.900 -0.017 0.000 0.995 404 G CA -0.648 44.444 45.100 -0.014 0.000 0.651 404 G HN 0.075 nan 8.290 nan 0.000 0.511 405 I N 2.881 123.438 120.570 -0.021 0.000 2.588 405 I HA 0.324 4.494 4.170 0.001 0.000 0.283 405 I C 1.558 177.664 176.117 -0.019 0.000 1.119 405 I CA 0.404 61.690 61.300 -0.024 0.000 1.419 405 I CB 0.422 38.401 38.000 -0.035 0.000 1.394 405 I HN 0.374 nan 8.210 nan 0.000 0.562 406 T N 1.530 116.074 114.554 -0.016 0.000 2.847 406 T HA 0.188 4.539 4.350 0.001 0.000 0.279 406 T C 1.044 175.737 174.700 -0.011 0.000 0.984 406 T CA -0.537 61.555 62.100 -0.012 0.000 0.988 406 T CB 1.516 70.378 68.868 -0.010 0.000 1.040 406 T HN 0.690 nan 8.240 nan 0.000 0.528 407 E N 0.057 120.253 120.200 -0.008 0.000 2.077 407 E HA -0.221 4.130 4.350 0.001 0.000 0.193 407 E C 1.954 178.552 176.600 -0.003 0.000 0.989 407 E CA 1.438 57.834 56.400 -0.005 0.000 0.800 407 E CB -0.068 29.630 29.700 -0.003 0.000 0.746 407 E HN 0.888 nan 8.360 nan 0.000 0.452 408 E N 0.164 120.362 120.200 -0.003 0.000 2.077 408 E HA -0.262 4.089 4.350 0.001 0.000 0.193 408 E C 2.139 178.738 176.600 -0.001 0.000 0.989 408 E CA 1.317 57.717 56.400 -0.001 0.000 0.800 408 E CB 0.035 29.733 29.700 -0.002 0.000 0.746 408 E HN 0.348 nan 8.360 nan 0.000 0.452 409 Q N -0.078 119.719 119.800 -0.005 0.000 2.084 409 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 409 Q C 2.373 178.369 176.000 -0.006 0.000 0.978 409 Q CA 1.605 57.404 55.803 -0.006 0.000 0.844 409 Q CB 0.081 28.812 28.738 -0.012 0.000 0.898 409 Q HN 0.221 nan 8.270 nan 0.000 0.426 410 V N 0.411 120.319 119.914 -0.010 0.000 2.343 410 V HA -0.216 3.905 4.120 0.001 0.000 0.247 410 V C 2.215 178.310 176.094 0.001 0.000 1.051 410 V CA 2.023 64.317 62.300 -0.010 0.000 1.036 410 V CB -1.098 30.718 31.823 -0.013 0.000 0.654 410 V HN 0.550 nan 8.190 nan 0.000 0.451 411 G N -1.124 107.679 108.800 0.005 0.000 2.422 411 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 411 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 411 G C 1.506 176.417 174.900 0.018 0.000 1.146 411 G CA 1.018 46.125 45.100 0.012 0.000 0.769 411 G HN 0.494 nan 8.290 nan 0.000 0.547 412 Q N 0.169 119.978 119.800 0.015 0.000 2.050 412 Q HA 0.026 4.366 4.340 0.001 0.000 0.202 412 Q C 2.546 178.564 176.000 0.030 0.000 0.980 412 Q CA 1.475 57.291 55.803 0.021 0.000 0.840 412 Q CB -0.345 28.403 28.738 0.017 0.000 0.898 412 Q HN 0.518 nan 8.270 nan 0.000 0.424 413 M N -0.684 118.931 119.600 0.025 0.000 2.099 413 M HA -0.117 4.364 4.480 0.001 0.000 0.262 413 M C 2.051 178.380 176.300 0.049 0.000 1.067 413 M CA 2.079 57.399 55.300 0.033 0.000 1.124 413 M CB -0.368 32.239 32.600 0.011 0.000 1.353 413 M HN 0.415 nan 8.290 nan 0.000 0.410 414 T N -3.390 111.188 114.554 0.039 0.000 3.051 414 T HA 0.118 4.469 4.350 0.001 0.000 0.255 414 T C 1.394 176.130 174.700 0.060 0.000 1.085 414 T CA 0.423 62.553 62.100 0.049 0.000 1.109 414 T CB 0.022 68.909 68.868 0.031 0.000 0.921 414 T HN 0.178 nan 8.240 nan 0.000 0.488 415 V N 0.405 120.351 119.914 0.052 0.000 3.029 415 V HA 0.394 4.514 4.120 0.001 0.000 0.230 415 V C 2.873 179.001 176.094 0.057 0.000 1.254 415 V CA 0.605 62.938 62.300 0.054 0.000 1.276 415 V CB -0.751 31.094 31.823 0.038 0.000 1.080 415 V HN 0.469 nan 8.190 nan 0.000 0.495 416 G N 1.108 109.934 108.800 0.043 0.000 2.459 416 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 416 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 416 G C 1.325 176.249 174.900 0.040 0.000 1.183 416 G CA 1.358 46.480 45.100 0.036 0.000 0.776 416 G HN 0.480 nan 8.290 nan 0.000 0.552 417 N N 1.520 120.248 118.700 0.046 0.000 2.043 417 N HA -0.057 4.684 4.740 0.001 0.000 0.193 417 N C -0.283 175.253 175.510 0.044 0.000 1.037 417 N CA 1.479 54.551 53.050 0.037 0.000 0.851 417 N CB -1.406 37.111 38.487 0.050 0.000 1.027 417 N HN 0.232 nan 8.380 nan 0.000 0.422 418 P HA -0.038 nan 4.420 nan 0.000 0.216 418 P C 1.096 178.527 177.300 0.219 0.000 1.153 418 P CA 1.594 64.867 63.100 0.289 0.000 0.848 418 P CB -0.093 31.793 31.700 0.309 0.000 0.787 419 A N -0.061 122.834 122.820 0.126 0.000 1.908 419 A HA -0.245 4.075 4.320 0.001 0.000 0.218 419 A C 2.413 180.026 177.584 0.049 0.000 1.181 419 A CA 1.931 54.022 52.037 0.090 0.000 0.627 419 A CB -1.154 17.881 19.000 0.057 0.000 0.818 419 A HN 0.076 nan 8.150 nan 0.000 0.445 420 R N -0.770 119.736 120.500 0.011 0.000 2.075 420 R HA 0.104 4.445 4.340 0.001 0.000 0.226 420 R C 2.094 178.342 176.300 -0.087 0.000 1.114 420 R CA 1.091 57.177 56.100 -0.024 0.000 0.972 420 R CB -0.309 29.977 30.300 -0.023 0.000 0.869 420 R HN 0.499 nan 8.270 nan 0.000 0.437 421 L N -0.032 121.071 121.223 -0.200 0.000 2.072 421 L HA -0.067 4.274 4.340 0.001 0.000 0.205 421 L C 1.130 177.665 176.870 -0.559 0.000 1.079 421 L CA 1.455 56.023 54.840 -0.454 0.000 0.752 421 L CB 0.003 41.614 42.059 -0.748 0.000 0.906 421 L HN 0.248 nan 8.230 nan 0.000 0.436 422 F N -1.042 118.927 119.950 0.031 0.000 2.717 422 F HA 0.283 4.811 4.527 0.001 0.000 0.297 422 F C 1.552 177.360 175.800 0.012 0.000 1.113 422 F CA -0.009 58.007 58.000 0.027 0.000 1.319 422 F CB -0.561 38.449 39.000 0.016 0.000 1.097 422 F HN -0.075 nan 8.300 nan 0.000 0.595 423 G N 0.000 108.878 108.800 0.130 0.000 5.446 423 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 423 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 423 G CA 0.000 45.143 45.100 0.071 0.000 0.502 423 G HN 0.000 nan 8.290 nan 0.000 0.925