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 1c9i_1_B DATA FIRST_RESID 4 DATA SEQUENCE ILPIRFQEHL QLQNLGINPA NIGFSTLTME SDKFICIREK VGEQAQVVII DATA SEQUENCE DMNDPSNPIR RPISADSAIM NPASKVIALK AGKTLQIFNI EMKSKMKAHT DATA SEQUENCE MTDDVTFWKW ISLNTVALVT DNAVYHWSME GESQPVKMFD RHSSLAGCQI DATA SEQUENCE INYRTDAKQK WLLLTGISAQ QNRVVGAMQL YSVDRKVSQP IEGHAASFAQ DATA SEQUENCE FKMEGNAEES TLFCFAVRGQ AGGKLHIIEV GTPPTGNQPF PKKAVDVFFP DATA SEQUENCE PEAQNDFPVA MQISEKHDVV FLITKYGYIH LYDLETGTCI YMNRISGETI DATA SEQUENCE FVTAPHEATA GIIGVNRKGQ VLSVCVEEEN IIPYITNVLQ NPDLALRMAV DATA SEQUENCE RNNLA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.098 176.117 -0.031 0.000 1.063 4 I CA 0.000 61.332 61.300 0.053 0.000 1.566 4 I CB 0.000 38.029 38.000 0.049 0.000 1.214 5 L N 2.448 123.556 121.223 -0.191 0.000 2.362 5 L HA 0.593 4.934 4.340 0.001 0.000 0.275 5 L C -1.832 174.712 176.870 -0.543 0.000 0.998 5 L CA -1.682 52.873 54.840 -0.474 0.000 0.820 5 L CB 1.912 43.742 42.059 -0.382 0.000 1.270 5 L HN 0.385 nan 8.230 nan 0.000 0.415 6 P HA -0.041 nan 4.420 nan 0.000 0.229 6 P C 0.215 177.277 177.300 -0.396 0.000 1.160 6 P CA 1.000 63.776 63.100 -0.540 0.000 0.777 6 P CB 0.413 31.762 31.700 -0.586 0.000 0.814 7 I N -3.580 116.697 120.570 -0.489 0.000 3.133 7 I HA 0.639 4.810 4.170 0.001 0.000 0.311 7 I C -0.325 175.677 176.117 -0.192 0.000 1.072 7 I CA -1.838 59.301 61.300 -0.269 0.000 1.015 7 I CB 2.362 40.220 38.000 -0.236 0.000 1.233 7 I HN -0.355 nan 8.210 nan 0.000 0.473 8 R N 2.525 122.983 120.500 -0.069 0.000 2.502 8 R HA 0.430 4.771 4.340 0.001 0.000 0.300 8 R C -2.085 174.232 176.300 0.027 0.000 0.984 8 R CA -0.513 55.568 56.100 -0.031 0.000 0.882 8 R CB 1.784 32.063 30.300 -0.034 0.000 1.180 8 R HN 0.748 nan 8.270 nan 0.000 0.444 9 F N 2.812 122.697 119.950 -0.107 0.000 2.408 9 F HA 0.419 4.947 4.527 0.001 0.000 0.325 9 F C -0.694 175.020 175.800 -0.143 0.000 1.082 9 F CA -0.077 57.859 58.000 -0.106 0.000 1.032 9 F CB 1.446 40.392 39.000 -0.091 0.000 1.259 9 F HN 0.596 nan 8.300 nan 0.000 0.503 10 Q N 3.626 122.788 119.800 -1.062 0.000 2.507 10 Q HA 0.154 4.494 4.340 0.001 0.000 0.242 10 Q C -1.910 173.483 176.000 -1.011 0.000 0.911 10 Q CA -0.703 54.645 55.803 -0.758 0.000 1.019 10 Q CB 1.252 29.645 28.738 -0.573 0.000 1.523 10 Q HN 0.804 nan 8.270 nan 0.000 0.459 11 E N 3.543 123.391 120.200 -0.586 0.000 2.259 11 E HA 0.179 4.530 4.350 0.001 0.000 0.281 11 E C -0.391 175.943 176.600 -0.443 0.000 1.027 11 E CA -0.100 56.065 56.400 -0.392 0.000 0.838 11 E CB 0.715 30.359 29.700 -0.093 0.000 1.066 11 E HN 0.734 nan 8.360 nan 0.000 0.401 12 H N 3.731 122.697 119.070 -0.172 0.000 2.695 12 H HA 0.335 4.891 4.556 0.001 0.000 0.267 12 H C 0.164 175.439 175.328 -0.089 0.000 0.973 12 H CA 0.279 56.244 56.048 -0.138 0.000 1.223 12 H CB 0.814 30.472 29.762 -0.173 0.000 1.442 12 H HN 0.376 nan 8.280 nan 0.000 0.478 13 L N 0.443 121.691 121.223 0.043 0.000 2.720 13 L HA 0.291 4.632 4.340 0.001 0.000 0.261 13 L C -0.879 176.001 176.870 0.017 0.000 1.046 13 L CA -0.679 54.174 54.840 0.022 0.000 0.886 13 L CB 2.639 44.709 42.059 0.020 0.000 1.493 13 L HN -0.138 nan 8.230 nan 0.000 0.407 14 Q N 1.844 121.656 119.800 0.020 0.000 3.300 14 Q HA 0.328 4.669 4.340 0.001 0.000 0.271 14 Q C 0.698 176.717 176.000 0.031 0.000 0.926 14 Q CA -0.166 55.653 55.803 0.027 0.000 0.788 14 Q CB 1.450 30.201 28.738 0.023 0.000 1.385 14 Q HN 0.635 nan 8.270 nan 0.000 0.424 15 L N -0.207 121.039 121.223 0.039 0.000 2.256 15 L HA -0.354 3.986 4.340 0.001 0.000 0.218 15 L C 2.148 179.043 176.870 0.041 0.000 1.089 15 L CA 1.465 56.331 54.840 0.044 0.000 0.777 15 L CB -0.422 41.674 42.059 0.062 0.000 0.890 15 L HN 0.434 nan 8.230 nan 0.000 0.439 16 Q N 0.185 120.009 119.800 0.041 0.000 2.020 16 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 16 Q C 1.879 177.895 176.000 0.027 0.000 0.982 16 Q CA 1.835 57.659 55.803 0.035 0.000 0.838 16 Q CB -0.566 28.193 28.738 0.035 0.000 0.899 16 Q HN 0.708 nan 8.270 nan 0.000 0.423 17 N N 0.530 119.244 118.700 0.023 0.000 2.334 17 N HA -0.128 4.612 4.740 0.001 0.000 0.187 17 N C 1.492 177.012 175.510 0.017 0.000 1.016 17 N CA 0.461 53.522 53.050 0.018 0.000 0.879 17 N CB -0.075 38.421 38.487 0.015 0.000 0.965 17 N HN 0.191 nan 8.380 nan 0.000 0.438 18 L N -0.629 120.606 121.223 0.020 0.000 2.592 18 L HA 0.195 4.536 4.340 0.001 0.000 0.227 18 L C 1.181 178.063 176.870 0.019 0.000 1.127 18 L CA 0.007 54.858 54.840 0.019 0.000 0.884 18 L CB 0.008 42.079 42.059 0.021 0.000 1.065 18 L HN 0.207 nan 8.230 nan 0.000 0.457 19 G N 1.048 109.861 108.800 0.021 0.000 2.130 19 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 19 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 19 G C -0.169 174.745 174.900 0.024 0.000 0.999 19 G CA -0.459 44.653 45.100 0.020 0.000 0.686 19 G HN 0.152 nan 8.290 nan 0.000 0.515 20 I N 1.337 121.926 120.570 0.030 0.000 2.371 20 I HA 0.278 4.449 4.170 0.001 0.000 0.290 20 I C 0.649 176.787 176.117 0.035 0.000 1.028 20 I CA -1.486 59.835 61.300 0.036 0.000 1.345 20 I CB 1.151 39.179 38.000 0.047 0.000 1.407 20 I HN 0.192 nan 8.210 nan 0.000 0.501 21 N N 8.644 127.363 118.700 0.031 0.000 2.447 21 N HA 0.037 4.778 4.740 0.001 0.000 0.263 21 N C -1.872 173.657 175.510 0.032 0.000 1.226 21 N CA -1.161 51.906 53.050 0.028 0.000 0.906 21 N CB 1.158 39.658 38.487 0.022 0.000 1.060 21 N HN 0.269 nan 8.380 nan 0.000 0.468 22 P HA -0.077 nan 4.420 nan 0.000 0.223 22 P C 0.672 177.986 177.300 0.023 0.000 1.144 22 P CA 1.010 64.132 63.100 0.036 0.000 0.783 22 P CB 0.181 31.903 31.700 0.035 0.000 0.771 23 A N 0.215 123.045 122.820 0.017 0.000 1.902 23 A HA -0.186 4.135 4.320 0.001 0.000 0.217 23 A C 1.846 179.428 177.584 -0.003 0.000 1.181 23 A CA 1.568 53.609 52.037 0.007 0.000 0.623 23 A CB -1.136 17.870 19.000 0.010 0.000 0.818 23 A HN 0.178 nan 8.150 nan 0.000 0.443 24 N N -0.000 118.706 118.700 0.010 0.000 2.383 24 N HA 0.106 4.847 4.740 0.001 0.000 0.192 24 N C 0.098 175.619 175.510 0.018 0.000 1.141 24 N CA 0.330 53.387 53.050 0.011 0.000 0.851 24 N CB 0.145 38.648 38.487 0.027 0.000 0.976 24 N HN 0.472 nan 8.380 nan 0.000 0.465 25 I N 1.219 121.798 120.570 0.014 0.000 2.261 25 I HA 0.241 4.412 4.170 0.001 0.000 0.285 25 I C 0.676 176.668 176.117 -0.207 0.000 1.113 25 I CA -0.377 60.964 61.300 0.069 0.000 1.377 25 I CB -0.136 37.949 38.000 0.141 0.000 1.530 25 I HN -0.083 nan 8.210 nan 0.000 0.607 26 G N 0.569 109.086 108.800 -0.472 0.000 2.766 26 G HA2 0.278 4.239 3.960 0.001 0.000 0.288 26 G HA3 0.278 4.239 3.960 0.001 0.000 0.288 26 G C -0.086 174.269 174.900 -0.909 0.000 1.408 26 G CA -0.511 43.916 45.100 -1.121 0.000 0.852 26 G HN 0.145 nan 8.290 nan 0.000 0.487 27 F N 1.375 120.851 119.950 -0.790 0.000 2.063 27 F HA -0.197 4.331 4.527 0.001 0.000 0.298 27 F C 2.713 178.583 175.800 0.117 0.000 1.105 27 F CA 2.858 60.871 58.000 0.022 0.000 1.215 27 F CB -0.117 38.946 39.000 0.105 0.000 0.972 27 F HN 0.388 nan 8.300 nan 0.000 0.483 28 S N -1.988 113.717 115.700 0.009 0.000 2.671 28 S HA 0.071 4.542 4.470 0.001 0.000 0.220 28 S C 1.082 175.663 174.600 -0.032 0.000 0.951 28 S CA 0.632 58.787 58.200 -0.075 0.000 0.932 28 S CB -0.805 62.420 63.200 0.042 0.000 0.777 28 S HN 0.592 nan 8.310 nan 0.000 0.508 29 T N -2.022 112.527 114.554 -0.007 0.000 3.028 29 T HA 0.362 4.712 4.350 0.001 0.000 0.262 29 T C 0.004 174.742 174.700 0.063 0.000 0.916 29 T CA -0.411 61.702 62.100 0.022 0.000 0.873 29 T CB 0.091 68.967 68.868 0.014 0.000 1.232 29 T HN 0.287 nan 8.240 nan 0.000 0.529 30 L N 3.858 125.156 121.223 0.126 0.000 2.325 30 L HA 0.712 5.053 4.340 0.001 0.000 0.281 30 L C -1.080 175.929 176.870 0.231 0.000 1.004 30 L CA -0.026 54.943 54.840 0.215 0.000 0.823 30 L CB 1.320 43.606 42.059 0.378 0.000 1.236 30 L HN 0.479 nan 8.230 nan 0.000 0.415 31 T N 2.858 117.489 114.554 0.128 0.000 2.863 31 T HA 0.632 4.983 4.350 0.001 0.000 0.285 31 T C -0.408 174.334 174.700 0.069 0.000 1.009 31 T CA -0.689 61.463 62.100 0.087 0.000 0.989 31 T CB 2.007 70.890 68.868 0.026 0.000 1.004 31 T HN 0.693 nan 8.240 nan 0.000 0.455 32 M N 2.884 122.517 119.600 0.056 0.000 1.996 32 M HA 0.335 4.816 4.480 0.001 0.000 0.268 32 M C -0.013 176.320 176.300 0.055 0.000 0.888 32 M CA -0.429 54.896 55.300 0.042 0.000 0.939 32 M CB 1.149 33.748 32.600 -0.001 0.000 1.736 32 M HN 0.638 nan 8.290 nan 0.000 0.407 33 E N 1.463 121.700 120.200 0.062 0.000 2.502 33 E HA 0.134 4.485 4.350 0.001 0.000 0.194 33 E C -0.280 176.359 176.600 0.065 0.000 1.062 33 E CA 0.299 56.747 56.400 0.080 0.000 0.867 33 E CB 0.247 30.003 29.700 0.093 0.000 0.888 33 E HN 0.770 nan 8.360 nan 0.000 0.510 34 S N -0.198 115.533 115.700 0.051 0.000 2.656 34 S HA 0.094 4.565 4.470 0.001 0.000 0.265 34 S C -0.424 174.180 174.600 0.006 0.000 1.110 34 S CA -0.641 57.578 58.200 0.031 0.000 0.821 34 S CB 0.657 63.875 63.200 0.031 0.000 1.099 34 S HN -0.065 nan 8.310 nan 0.000 0.471 35 D N -0.314 120.069 120.400 -0.030 0.000 2.328 35 D HA 0.175 4.816 4.640 0.001 0.000 0.226 35 D C 0.920 177.132 176.300 -0.146 0.000 1.066 35 D CA -0.028 53.933 54.000 -0.066 0.000 0.861 35 D CB 0.068 40.862 40.800 -0.011 0.000 0.912 35 D HN 0.308 nan 8.370 nan 0.000 0.521 36 K N -0.407 119.897 120.400 -0.161 0.000 2.314 36 K HA 0.185 4.506 4.320 0.001 0.000 0.198 36 K C -0.278 175.809 176.600 -0.854 0.000 1.045 36 K CA 0.337 56.346 56.287 -0.463 0.000 0.988 36 K CB 0.350 32.622 32.500 -0.380 0.000 0.783 36 K HN 0.232 nan 8.250 nan 0.000 0.484 37 F N -0.643 119.258 119.950 -0.081 0.000 2.693 37 F HA 0.453 4.981 4.527 0.001 0.000 0.309 37 F C -0.559 175.209 175.800 -0.054 0.000 1.129 37 F CA -1.018 56.940 58.000 -0.070 0.000 0.948 37 F CB 1.439 40.390 39.000 -0.082 0.000 1.315 37 F HN -0.354 nan 8.300 nan 0.000 0.447 38 I N 1.575 122.246 120.570 0.167 0.000 2.533 38 I HA 0.486 4.657 4.170 0.001 0.000 0.290 38 I C -1.370 174.805 176.117 0.097 0.000 1.056 38 I CA -0.480 60.877 61.300 0.096 0.000 1.057 38 I CB 2.063 40.095 38.000 0.053 0.000 1.240 38 I HN 0.514 nan 8.210 nan 0.000 0.423 39 C N 6.419 125.763 119.300 0.075 0.000 2.417 39 C HA 0.706 5.167 4.460 0.001 0.000 0.324 39 C C -0.255 174.774 174.990 0.065 0.000 1.240 39 C CA -0.413 58.639 59.018 0.055 0.000 1.632 39 C CB 0.968 28.726 27.740 0.029 0.000 2.241 39 C HN 0.442 nan 8.230 nan 0.000 0.499 40 I N 2.728 123.332 120.570 0.057 0.000 2.569 40 I HA 0.529 4.700 4.170 0.001 0.000 0.296 40 I C 0.072 176.215 176.117 0.043 0.000 1.028 40 I CA -0.397 60.939 61.300 0.061 0.000 1.082 40 I CB 1.215 39.254 38.000 0.063 0.000 1.264 40 I HN 0.454 nan 8.210 nan 0.000 0.429 41 R N 4.774 125.299 120.500 0.041 0.000 2.295 41 R HA 0.593 4.934 4.340 0.001 0.000 0.324 41 R C -0.905 175.410 176.300 0.025 0.000 0.968 41 R CA -0.661 55.457 56.100 0.030 0.000 0.837 41 R CB 1.468 31.787 30.300 0.032 0.000 1.133 41 R HN 0.592 nan 8.270 nan 0.000 0.450 42 E N 1.870 122.082 120.200 0.019 0.000 2.312 42 E HA 0.290 4.641 4.350 0.001 0.000 0.267 42 E C -0.815 175.792 176.600 0.012 0.000 0.894 42 E CA -1.150 55.260 56.400 0.017 0.000 0.773 42 E CB 2.326 32.037 29.700 0.017 0.000 1.241 42 E HN -0.068 nan 8.360 nan 0.000 0.432 43 K N 2.162 122.569 120.400 0.011 0.000 2.354 43 K HA 0.289 4.610 4.320 0.001 0.000 0.257 43 K C -1.301 175.304 176.600 0.008 0.000 1.062 43 K CA -0.542 55.751 56.287 0.008 0.000 0.971 43 K CB 0.854 33.359 32.500 0.009 0.000 1.305 43 K HN 0.274 nan 8.250 nan 0.000 0.449 44 V N 3.633 123.550 119.914 0.006 0.000 2.259 44 V HA 0.440 4.561 4.120 0.001 0.000 0.267 44 V C 0.892 176.988 176.094 0.004 0.000 1.051 44 V CA 0.305 62.609 62.300 0.006 0.000 0.830 44 V CB 0.223 32.049 31.823 0.005 0.000 1.080 44 V HN 1.026 nan 8.190 nan 0.000 0.467 45 G N 5.049 113.851 108.800 0.004 0.000 2.481 45 G HA2 -0.200 3.761 3.960 0.001 0.000 0.230 45 G HA3 -0.200 3.761 3.960 0.001 0.000 0.230 45 G C 0.323 175.225 174.900 0.003 0.000 1.210 45 G CA 0.282 45.384 45.100 0.003 0.000 0.936 45 G HN 0.660 nan 8.290 nan 0.000 0.583 46 E N 0.705 120.906 120.200 0.002 0.000 2.465 46 E HA 0.237 4.588 4.350 0.001 0.000 0.195 46 E C 0.710 177.311 176.600 0.001 0.000 1.028 46 E CA 0.617 57.018 56.400 0.002 0.000 0.899 46 E CB 0.074 29.775 29.700 0.002 0.000 1.032 46 E HN 0.562 nan 8.360 nan 0.000 0.468 47 Q N 0.445 120.245 119.800 0.000 0.000 2.340 47 Q HA 0.594 4.935 4.340 0.001 0.000 0.268 47 Q C -1.004 174.996 176.000 -0.001 0.000 1.031 47 Q CA -0.719 55.083 55.803 -0.001 0.000 0.804 47 Q CB 1.695 30.431 28.738 -0.004 0.000 1.286 47 Q HN 0.103 nan 8.270 nan 0.000 0.448 48 A N 3.455 126.274 122.820 -0.001 0.000 2.313 48 A HA 0.586 4.907 4.320 0.001 0.000 0.261 48 A C -0.555 177.027 177.584 -0.004 0.000 1.090 48 A CA -0.032 52.005 52.037 0.000 0.000 0.807 48 A CB 0.528 19.530 19.000 0.003 0.000 1.055 48 A HN 0.880 nan 8.150 nan 0.000 0.492 49 Q N -1.164 118.635 119.800 -0.002 0.000 2.666 49 Q HA 0.560 4.901 4.340 0.001 0.000 0.276 49 Q C -1.983 174.016 176.000 -0.002 0.000 0.952 49 Q CA -0.924 54.874 55.803 -0.008 0.000 0.850 49 Q CB 1.173 29.905 28.738 -0.009 0.000 1.512 49 Q HN 0.452 nan 8.270 nan 0.000 0.395 50 V N 1.480 121.388 119.914 -0.009 0.000 2.483 50 V HA 0.558 4.679 4.120 0.001 0.000 0.295 50 V C -0.529 175.565 176.094 -0.001 0.000 1.035 50 V CA -0.684 61.616 62.300 -0.001 0.000 0.896 50 V CB 1.782 33.601 31.823 -0.007 0.000 0.986 50 V HN 0.642 nan 8.190 nan 0.000 0.447 51 V N 6.235 126.157 119.914 0.013 0.000 2.398 51 V HA 0.495 4.616 4.120 0.001 0.000 0.286 51 V C -0.384 175.727 176.094 0.028 0.000 1.026 51 V CA -0.455 61.856 62.300 0.018 0.000 0.868 51 V CB 1.534 33.373 31.823 0.025 0.000 0.982 51 V HN 0.626 nan 8.190 nan 0.000 0.443 52 I N 5.900 126.488 120.570 0.030 0.000 2.412 52 I HA 0.495 4.666 4.170 0.001 0.000 0.296 52 I C -0.147 176.020 176.117 0.084 0.000 0.987 52 I CA -0.183 61.151 61.300 0.056 0.000 1.180 52 I CB 1.670 39.693 38.000 0.039 0.000 1.340 52 I HN 0.398 nan 8.210 nan 0.000 0.455 53 I N 4.710 125.348 120.570 0.114 0.000 2.410 53 I HA 0.243 4.413 4.170 0.001 0.000 0.286 53 I C -0.578 175.598 176.117 0.098 0.000 1.009 53 I CA -0.680 60.668 61.300 0.080 0.000 1.111 53 I CB 1.543 39.570 38.000 0.045 0.000 1.262 53 I HN 0.470 nan 8.210 nan 0.000 0.443 54 D N 7.473 127.903 120.400 0.050 0.000 2.365 54 D HA 0.099 4.740 4.640 0.001 0.000 0.237 54 D C 0.998 177.178 176.300 -0.201 0.000 1.190 54 D CA -0.351 53.585 54.000 -0.107 0.000 0.867 54 D CB 1.118 41.900 40.800 -0.031 0.000 1.050 54 D HN 0.354 nan 8.370 nan 0.000 0.491 55 M N 3.084 122.496 119.600 -0.314 0.000 2.617 55 M HA -0.128 4.353 4.480 0.001 0.000 0.258 55 M C 1.004 177.194 176.300 -0.183 0.000 1.067 55 M CA 0.838 56.005 55.300 -0.223 0.000 1.057 55 M CB -0.973 31.473 32.600 -0.258 0.000 1.397 55 M HN 0.472 nan 8.290 nan 0.000 0.499 56 N N -0.701 117.878 118.700 -0.201 0.000 2.336 56 N HA -0.021 4.720 4.740 0.001 0.000 0.189 56 N C -0.292 175.167 175.510 -0.085 0.000 1.113 56 N CA 0.107 53.077 53.050 -0.134 0.000 0.858 56 N CB 0.453 38.853 38.487 -0.145 0.000 0.970 56 N HN 0.242 nan 8.380 nan 0.000 0.471 57 D N -0.954 119.399 120.400 -0.078 0.000 3.407 57 D HA 0.144 4.785 4.640 0.001 0.000 0.291 57 D C -2.119 174.162 176.300 -0.032 0.000 1.309 57 D CA -1.213 52.760 54.000 -0.044 0.000 0.747 57 D CB 0.748 41.529 40.800 -0.033 0.000 1.343 57 D HN -0.167 nan 8.370 nan 0.000 0.631 58 P HA -0.187 nan 4.420 nan 0.000 0.216 58 P C 1.310 178.607 177.300 -0.005 0.000 1.157 58 P CA 1.136 64.225 63.100 -0.019 0.000 0.880 58 P CB 0.236 31.925 31.700 -0.018 0.000 0.791 59 S N -1.112 114.585 115.700 -0.006 0.000 2.440 59 S HA -0.108 4.363 4.470 0.001 0.000 0.238 59 S C 0.955 175.556 174.600 0.002 0.000 1.010 59 S CA 1.038 59.238 58.200 -0.001 0.000 0.972 59 S CB -0.783 62.415 63.200 -0.003 0.000 0.774 59 S HN 0.237 nan 8.310 nan 0.000 0.501 60 N N 1.750 120.451 118.700 0.002 0.000 2.839 60 N HA 0.301 5.042 4.740 0.001 0.000 0.314 60 N C -2.991 172.527 175.510 0.013 0.000 1.449 60 N CA -1.417 51.636 53.050 0.006 0.000 1.050 60 N CB 0.325 38.814 38.487 0.004 0.000 1.364 60 N HN 0.241 nan 8.380 nan 0.000 0.512 61 P HA 0.064 nan 4.420 nan 0.000 0.265 61 P C 0.270 177.581 177.300 0.019 0.000 1.193 61 P CA 0.024 63.138 63.100 0.023 0.000 0.765 61 P CB 0.565 32.278 31.700 0.022 0.000 0.823 62 I N 0.345 120.928 120.570 0.021 0.000 2.359 62 I HA 0.545 4.716 4.170 0.001 0.000 0.294 62 I C -0.121 175.999 176.117 0.004 0.000 0.987 62 I CA -0.910 60.396 61.300 0.010 0.000 1.225 62 I CB 1.715 39.720 38.000 0.009 0.000 1.366 62 I HN 0.119 nan 8.210 nan 0.000 0.466 63 R N 5.804 126.302 120.500 -0.002 0.000 2.532 63 R HA 0.723 5.064 4.340 0.001 0.000 0.295 63 R C -0.871 175.417 176.300 -0.019 0.000 0.968 63 R CA -0.899 55.197 56.100 -0.007 0.000 0.916 63 R CB 2.210 32.508 30.300 -0.003 0.000 1.124 63 R HN 0.705 nan 8.270 nan 0.000 0.463 64 R N 1.945 122.429 120.500 -0.027 0.000 2.740 64 R HA 0.358 4.699 4.340 0.001 0.000 0.273 64 R C -2.835 173.439 176.300 -0.044 0.000 0.998 64 R CA -2.183 53.891 56.100 -0.043 0.000 0.900 64 R CB 2.367 32.627 30.300 -0.066 0.000 1.223 64 R HN 0.327 nan 8.270 nan 0.000 0.466 65 P HA 0.161 nan 4.420 nan 0.000 0.282 65 P C -0.921 176.346 177.300 -0.057 0.000 1.274 65 P CA -0.289 62.786 63.100 -0.042 0.000 0.770 65 P CB 0.489 32.167 31.700 -0.037 0.000 0.867 66 I N -0.069 120.477 120.570 -0.040 0.000 3.206 66 I HA 0.751 4.922 4.170 0.001 0.000 0.313 66 I C 0.421 176.529 176.117 -0.015 0.000 1.103 66 I CA -0.929 60.347 61.300 -0.040 0.000 0.985 66 I CB 1.859 39.841 38.000 -0.030 0.000 1.240 66 I HN 0.178 nan 8.210 nan 0.000 0.464 67 S N 0.080 115.779 115.700 -0.002 0.000 3.009 67 S HA 0.725 5.196 4.470 0.001 0.000 0.254 67 S C 0.299 174.911 174.600 0.021 0.000 1.004 67 S CA 0.024 58.228 58.200 0.008 0.000 1.119 67 S CB -0.490 62.714 63.200 0.007 0.000 1.075 67 S HN 1.121 nan 8.310 nan 0.000 0.618 68 A N 2.036 124.876 122.820 0.033 0.000 2.351 68 A HA 0.531 4.852 4.320 0.001 0.000 0.257 68 A C 0.806 178.415 177.584 0.041 0.000 1.087 68 A CA 0.093 52.163 52.037 0.055 0.000 0.798 68 A CB 0.226 19.285 19.000 0.098 0.000 1.033 68 A HN 0.517 nan 8.150 nan 0.000 0.488 69 D N -0.568 119.850 120.400 0.029 0.000 2.340 69 D HA 0.268 4.908 4.640 0.001 0.000 0.217 69 D C 0.010 176.331 176.300 0.035 0.000 1.081 69 D CA 0.474 54.483 54.000 0.014 0.000 0.842 69 D CB 0.228 41.018 40.800 -0.018 0.000 0.934 69 D HN 0.330 nan 8.370 nan 0.000 0.511 70 S N -1.405 114.351 115.700 0.094 0.000 2.606 70 S HA 0.617 5.087 4.470 0.001 0.000 0.290 70 S C -2.109 172.669 174.600 0.296 0.000 1.103 70 S CA -0.361 57.948 58.200 0.182 0.000 0.870 70 S CB 0.715 64.041 63.200 0.211 0.000 1.077 70 S HN 0.517 nan 8.310 nan 0.000 0.448 71 A N 3.610 126.562 122.820 0.220 0.000 2.422 71 A HA 0.896 5.217 4.320 0.001 0.000 0.302 71 A C -0.979 176.630 177.584 0.042 0.000 1.041 71 A CA -0.746 51.382 52.037 0.150 0.000 0.708 71 A CB 0.965 20.014 19.000 0.083 0.000 1.257 71 A HN 1.256 nan 8.150 nan 0.000 0.414 72 I N -0.318 120.219 120.570 -0.055 0.000 2.548 72 I HA 0.482 4.653 4.170 0.001 0.000 0.287 72 I C -0.692 175.434 176.117 0.016 0.000 1.103 72 I CA -0.871 60.383 61.300 -0.076 0.000 1.049 72 I CB 1.870 39.704 38.000 -0.277 0.000 1.232 72 I HN 0.407 nan 8.210 nan 0.000 0.429 73 M N 4.487 124.038 119.600 -0.083 0.000 2.235 73 M HA 0.210 4.691 4.480 0.001 0.000 0.351 73 M C 0.361 176.309 176.300 -0.586 0.000 1.178 73 M CA 0.149 55.271 55.300 -0.296 0.000 1.143 73 M CB 0.888 33.266 32.600 -0.370 0.000 1.530 73 M HN 0.745 nan 8.290 nan 0.000 0.461 74 N N 3.735 121.841 118.700 -0.991 0.000 2.441 74 N HA 0.018 4.759 4.740 0.001 0.000 0.251 74 N C -2.043 173.026 175.510 -0.735 0.000 1.242 74 N CA -0.810 51.312 53.050 -1.546 0.000 0.898 74 N CB 1.111 38.837 38.487 -1.270 0.000 1.100 74 N HN 0.254 nan 8.380 nan 0.000 0.443 75 P HA 0.017 nan 4.420 nan 0.000 0.230 75 P C -0.285 176.971 177.300 -0.073 0.000 1.158 75 P CA 1.026 64.021 63.100 -0.174 0.000 0.769 75 P CB 0.322 31.966 31.700 -0.094 0.000 0.807 76 A N -2.875 119.858 122.820 -0.145 0.000 2.661 76 A HA 0.477 4.798 4.320 0.001 0.000 0.278 76 A C 0.450 178.029 177.584 -0.009 0.000 1.090 76 A CA 0.111 52.131 52.037 -0.028 0.000 0.969 76 A CB 0.318 19.279 19.000 -0.065 0.000 1.240 76 A HN 0.079 nan 8.150 nan 0.000 0.578 77 S N -0.509 115.110 115.700 -0.135 0.000 2.552 77 S HA 0.334 4.805 4.470 0.001 0.000 0.272 77 S C -1.222 173.128 174.600 -0.415 0.000 1.150 77 S CA -0.562 57.537 58.200 -0.169 0.000 0.849 77 S CB 0.953 64.049 63.200 -0.173 0.000 1.113 77 S HN 0.204 nan 8.310 nan 0.000 0.458 78 K N 2.330 122.531 120.400 -0.332 0.000 2.978 78 K HA 0.208 4.529 4.320 0.001 0.000 0.261 78 K C -0.807 175.625 176.600 -0.280 0.000 1.181 78 K CA 0.113 56.160 56.287 -0.400 0.000 1.164 78 K CB -0.384 31.994 32.500 -0.203 0.000 1.331 78 K HN 0.293 nan 8.250 nan 0.000 0.266 79 V N 2.598 122.303 119.914 -0.347 0.000 2.444 79 V HA 0.392 4.513 4.120 0.001 0.000 0.294 79 V C -0.342 175.602 176.094 -0.250 0.000 1.022 79 V CA -0.837 61.317 62.300 -0.244 0.000 0.850 79 V CB 1.803 33.453 31.823 -0.288 0.000 0.992 79 V HN 0.391 nan 8.190 nan 0.000 0.426 80 I N 3.895 124.422 120.570 -0.072 0.000 2.545 80 I HA 0.780 4.950 4.170 0.001 0.000 0.292 80 I C 0.158 176.354 176.117 0.131 0.000 1.040 80 I CA -0.703 60.591 61.300 -0.009 0.000 1.068 80 I CB 1.907 39.885 38.000 -0.037 0.000 1.251 80 I HN 0.682 nan 8.210 nan 0.000 0.424 81 A N 8.311 131.203 122.820 0.119 0.000 2.289 81 A HA 0.730 5.051 4.320 0.001 0.000 0.298 81 A C -1.101 176.582 177.584 0.165 0.000 1.208 81 A CA -0.308 51.746 52.037 0.029 0.000 0.845 81 A CB 0.413 19.114 19.000 -0.500 0.000 1.125 81 A HN 0.684 nan 8.150 nan 0.000 0.517 82 L N 2.489 123.962 121.223 0.416 0.000 2.408 82 L HA 0.594 4.934 4.340 0.001 0.000 0.268 82 L C -0.077 177.096 176.870 0.506 0.000 0.986 82 L CA -0.605 54.499 54.840 0.440 0.000 0.820 82 L CB 2.271 44.512 42.059 0.303 0.000 1.303 82 L HN 0.837 nan 8.230 nan 0.000 0.411 83 K N 2.405 123.021 120.400 0.361 0.000 2.378 83 K HA 0.854 5.175 4.320 0.001 0.000 0.252 83 K C -1.282 175.320 176.600 0.004 0.000 0.931 83 K CA -0.555 55.764 56.287 0.054 0.000 0.794 83 K CB 2.331 34.568 32.500 -0.440 0.000 1.181 83 K HN 0.659 nan 8.250 nan 0.000 0.425 84 A N 3.258 126.064 122.820 -0.023 0.000 3.159 84 A HA 0.604 4.925 4.320 0.001 0.000 0.330 84 A C 0.456 178.003 177.584 -0.060 0.000 1.032 84 A CA 0.100 52.123 52.037 -0.023 0.000 0.841 84 A CB -0.132 18.876 19.000 0.014 0.000 1.093 84 A HN 1.250 nan 8.150 nan 0.000 0.478 85 G N 1.458 110.199 108.800 -0.099 0.000 2.669 85 G HA2 -0.268 3.693 3.960 0.001 0.000 0.250 85 G HA3 -0.268 3.693 3.960 0.001 0.000 0.250 85 G C 0.744 175.559 174.900 -0.142 0.000 1.247 85 G CA 0.332 45.370 45.100 -0.104 0.000 0.958 85 G HN 0.583 nan 8.290 nan 0.000 0.559 86 K N 0.918 121.244 120.400 -0.122 0.000 2.404 86 K HA 0.254 4.575 4.320 0.001 0.000 0.194 86 K C 0.466 176.984 176.600 -0.137 0.000 1.023 86 K CA 0.750 56.950 56.287 -0.145 0.000 1.094 86 K CB 0.309 32.731 32.500 -0.129 0.000 0.841 86 K HN 0.372 nan 8.250 nan 0.000 0.523 87 T N 2.267 116.760 114.554 -0.101 0.000 2.780 87 T HA 0.344 4.695 4.350 0.001 0.000 0.294 87 T C -0.204 174.493 174.700 -0.005 0.000 0.949 87 T CA -0.229 61.837 62.100 -0.056 0.000 1.074 87 T CB 0.711 69.565 68.868 -0.023 0.000 0.910 87 T HN 0.018 nan 8.240 nan 0.000 0.501 88 L N 3.552 124.817 121.223 0.070 0.000 2.365 88 L HA 0.581 4.922 4.340 0.001 0.000 0.273 88 L C -0.079 176.979 176.870 0.314 0.000 1.000 88 L CA -0.911 54.069 54.840 0.232 0.000 0.819 88 L CB 1.899 44.160 42.059 0.337 0.000 1.284 88 L HN 0.500 nan 8.230 nan 0.000 0.418 89 Q N 3.437 123.439 119.800 0.337 0.000 2.359 89 Q HA 0.613 4.954 4.340 0.001 0.000 0.274 89 Q C -1.430 174.671 176.000 0.169 0.000 1.074 89 Q CA -0.794 55.124 55.803 0.191 0.000 0.810 89 Q CB 3.598 32.452 28.738 0.193 0.000 1.342 89 Q HN 0.403 nan 8.270 nan 0.000 0.427 90 I N 2.148 122.674 120.570 -0.073 0.000 2.406 90 I HA 0.482 4.653 4.170 0.001 0.000 0.290 90 I C -0.778 175.203 176.117 -0.227 0.000 0.999 90 I CA -0.434 60.833 61.300 -0.055 0.000 1.124 90 I CB 0.665 38.571 38.000 -0.158 0.000 1.289 90 I HN 0.545 nan 8.210 nan 0.000 0.441 91 F N 3.299 123.247 119.950 -0.003 0.000 2.532 91 F HA 0.348 4.876 4.527 0.001 0.000 0.321 91 F C 0.508 176.275 175.800 -0.055 0.000 1.089 91 F CA -0.776 57.212 58.000 -0.019 0.000 0.926 91 F CB 1.831 40.824 39.000 -0.011 0.000 1.168 91 F HN 0.434 nan 8.300 nan 0.000 0.459 92 N N 2.999 121.780 118.700 0.134 0.000 2.527 92 N HA 0.323 5.063 4.740 0.001 0.000 0.236 92 N C 0.909 176.451 175.510 0.054 0.000 0.999 92 N CA -0.160 52.910 53.050 0.034 0.000 0.935 92 N CB 0.459 38.942 38.487 -0.006 0.000 1.132 92 N HN 0.643 nan 8.380 nan 0.000 0.511 93 I N 2.345 122.923 120.570 0.014 0.000 2.113 93 I HA -0.365 3.806 4.170 0.001 0.000 0.242 93 I C 1.741 177.852 176.117 -0.011 0.000 1.064 93 I CA 1.599 62.891 61.300 -0.013 0.000 1.320 93 I CB -0.174 37.786 38.000 -0.066 0.000 1.028 93 I HN 0.681 nan 8.210 nan 0.000 0.406 94 E N 0.305 120.493 120.200 -0.021 0.000 2.153 94 E HA -0.199 4.152 4.350 0.001 0.000 0.194 94 E C 1.939 178.539 176.600 -0.000 0.000 0.988 94 E CA 1.200 57.593 56.400 -0.012 0.000 0.811 94 E CB -0.171 29.520 29.700 -0.015 0.000 0.746 94 E HN 0.547 nan 8.360 nan 0.000 0.466 95 M N 0.195 119.800 119.600 0.008 0.000 2.495 95 M HA 0.099 4.580 4.480 0.001 0.000 0.237 95 M C -0.245 176.077 176.300 0.037 0.000 1.131 95 M CA 0.135 55.444 55.300 0.016 0.000 1.032 95 M CB 0.278 32.884 32.600 0.010 0.000 1.513 95 M HN -0.152 nan 8.290 nan 0.000 0.488 96 K N 1.537 121.967 120.400 0.050 0.000 3.078 96 K HA -0.167 4.154 4.320 0.001 0.000 0.261 96 K C -0.279 176.401 176.600 0.133 0.000 0.947 96 K CA 0.718 57.050 56.287 0.076 0.000 0.702 96 K CB -2.009 30.515 32.500 0.040 0.000 1.318 96 K HN 0.549 nan 8.250 nan 0.000 0.473 97 S N -0.438 115.358 115.700 0.159 0.000 2.542 97 S HA 0.427 4.898 4.470 0.001 0.000 0.293 97 S C -0.554 174.099 174.600 0.088 0.000 1.089 97 S CA -1.171 57.105 58.200 0.128 0.000 0.961 97 S CB 2.490 65.715 63.200 0.042 0.000 1.062 97 S HN 0.267 nan 8.310 nan 0.000 0.483 98 K N 2.951 123.299 120.400 -0.087 0.000 2.250 98 K HA 0.290 4.611 4.320 0.001 0.000 0.285 98 K C 0.988 177.413 176.600 -0.292 0.000 1.097 98 K CA -0.392 55.581 56.287 -0.523 0.000 0.913 98 K CB 0.131 32.345 32.500 -0.476 0.000 1.179 98 K HN 0.765 nan 8.250 nan 0.000 0.462 99 M N 2.313 121.752 119.600 -0.268 0.000 2.139 99 M HA -0.110 4.371 4.480 0.001 0.000 0.260 99 M C 0.356 176.580 176.300 -0.126 0.000 1.078 99 M CA 1.740 56.947 55.300 -0.154 0.000 1.106 99 M CB -0.069 32.450 32.600 -0.136 0.000 1.275 99 M HN 0.370 nan 8.290 nan 0.000 0.425 100 K N -0.615 119.703 120.400 -0.136 0.000 2.385 100 K HA 0.727 5.048 4.320 0.001 0.000 0.248 100 K C -1.383 175.264 176.600 0.078 0.000 0.955 100 K CA -0.713 55.570 56.287 -0.007 0.000 0.816 100 K CB 2.425 34.917 32.500 -0.013 0.000 1.250 100 K HN 0.221 nan 8.250 nan 0.000 0.434 101 A N 1.213 124.164 122.820 0.219 0.000 2.515 101 A HA 0.698 5.019 4.320 0.001 0.000 0.296 101 A C -1.825 175.945 177.584 0.312 0.000 1.094 101 A CA -0.516 51.663 52.037 0.236 0.000 0.718 101 A CB 1.401 20.441 19.000 0.066 0.000 1.307 101 A HN 0.889 nan 8.150 nan 0.000 0.408 102 H N -0.575 118.560 119.070 0.110 0.000 3.085 102 H HA 0.621 5.178 4.556 0.001 0.000 0.356 102 H C -1.432 173.814 175.328 -0.138 0.000 1.178 102 H CA 0.018 55.998 56.048 -0.114 0.000 1.214 102 H CB 1.943 31.393 29.762 -0.519 0.000 1.881 102 H HN 0.522 nan 8.280 nan 0.000 0.538 103 T N 6.237 120.208 114.554 -0.973 0.000 2.864 103 T HA 0.266 4.617 4.350 0.001 0.000 0.310 103 T C 0.178 174.517 174.700 -0.601 0.000 1.040 103 T CA -0.866 60.902 62.100 -0.553 0.000 0.977 103 T CB 0.249 68.913 68.868 -0.340 0.000 0.976 103 T HN 0.393 nan 8.240 nan 0.000 0.459 104 M N 2.292 121.749 119.600 -0.239 0.000 2.207 104 M HA 0.146 4.627 4.480 0.001 0.000 0.311 104 M C 1.897 178.111 176.300 -0.143 0.000 1.127 104 M CA 0.297 55.536 55.300 -0.102 0.000 1.181 104 M CB 0.341 32.832 32.600 -0.181 0.000 1.409 104 M HN 0.688 nan 8.290 nan 0.000 0.461 105 T N -2.603 111.883 114.554 -0.114 0.000 3.035 105 T HA 0.098 4.448 4.350 0.001 0.000 0.259 105 T C 0.252 174.898 174.700 -0.090 0.000 1.078 105 T CA 0.318 62.364 62.100 -0.090 0.000 1.132 105 T CB 0.122 68.957 68.868 -0.056 0.000 0.900 105 T HN 0.522 nan 8.240 nan 0.000 0.480 106 D N 1.504 121.836 120.400 -0.114 0.000 2.433 106 D HA 0.330 4.970 4.640 0.001 0.000 0.236 106 D C -0.990 175.224 176.300 -0.143 0.000 1.026 106 D CA -0.584 53.352 54.000 -0.105 0.000 0.884 106 D CB 1.682 42.435 40.800 -0.078 0.000 1.384 106 D HN 0.123 nan 8.370 nan 0.000 0.477 107 D N 0.496 120.824 120.400 -0.121 0.000 2.389 107 D HA 0.108 4.749 4.640 0.001 0.000 0.247 107 D C 0.051 176.250 176.300 -0.169 0.000 1.128 107 D CA -0.007 53.905 54.000 -0.147 0.000 0.884 107 D CB 1.566 42.300 40.800 -0.110 0.000 1.194 107 D HN -0.040 nan 8.370 nan 0.000 0.441 108 V N 2.350 122.115 119.914 -0.248 0.000 2.455 108 V HA 0.062 4.183 4.120 0.001 0.000 0.273 108 V C 1.629 177.606 176.094 -0.195 0.000 1.045 108 V CA -0.086 62.053 62.300 -0.269 0.000 0.976 108 V CB 0.974 32.513 31.823 -0.472 0.000 0.993 108 V HN 0.706 nan 8.190 nan 0.000 0.475 109 T N 1.087 115.609 114.554 -0.055 0.000 3.086 109 T HA 0.315 4.666 4.350 0.001 0.000 0.250 109 T C -0.188 174.633 174.700 0.202 0.000 1.074 109 T CA 0.035 62.160 62.100 0.042 0.000 0.988 109 T CB -0.170 68.746 68.868 0.080 0.000 0.988 109 T HN 0.461 nan 8.240 nan 0.000 0.530 110 F N 1.085 121.017 119.950 -0.030 0.000 2.740 110 F HA 0.479 5.007 4.527 0.001 0.000 0.312 110 F C -2.577 173.335 175.800 0.186 0.000 1.121 110 F CA -1.140 56.926 58.000 0.110 0.000 0.977 110 F CB 1.126 40.232 39.000 0.176 0.000 1.265 110 F HN 0.241 nan 8.300 nan 0.000 0.443 111 W N 4.691 125.716 121.300 -0.458 0.000 3.298 111 W HA 0.659 5.320 4.660 0.001 0.000 0.302 111 W C -2.397 173.855 176.519 -0.445 0.000 1.255 111 W CA -1.547 55.633 57.345 -0.276 0.000 1.196 111 W CB 0.409 29.747 29.460 -0.203 0.000 1.364 111 W HN 0.836 nan 8.180 nan 0.000 0.566 112 K N 0.384 120.687 120.400 -0.162 0.000 2.597 112 K HA 0.494 4.815 4.320 0.001 0.000 0.282 112 K C -1.604 174.876 176.600 -0.201 0.000 0.975 112 K CA -0.726 55.421 56.287 -0.234 0.000 0.867 112 K CB 1.419 33.918 32.500 -0.002 0.000 1.465 112 K HN 0.343 nan 8.250 nan 0.000 0.417 113 W N 2.661 123.892 121.300 -0.114 0.000 2.190 113 W HA 0.289 4.950 4.660 0.001 0.000 0.330 113 W C 1.258 177.791 176.519 0.023 0.000 1.299 113 W CA -0.323 56.976 57.345 -0.078 0.000 1.215 113 W CB 0.677 30.066 29.460 -0.118 0.000 1.147 113 W HN 0.623 nan 8.180 nan 0.000 0.563 114 I N -0.204 120.492 120.570 0.209 0.000 4.327 114 I HA 0.331 4.502 4.170 0.001 0.000 0.331 114 I C 0.318 176.528 176.117 0.154 0.000 1.348 114 I CA -0.197 61.212 61.300 0.182 0.000 1.152 114 I CB -0.051 38.046 38.000 0.161 0.000 1.151 114 I HN 0.223 nan 8.210 nan 0.000 0.410 115 S N 0.117 115.924 115.700 0.178 0.000 2.688 115 S HA 0.515 4.986 4.470 0.001 0.000 0.275 115 S C 0.167 174.859 174.600 0.153 0.000 1.175 115 S CA -0.820 57.461 58.200 0.135 0.000 0.818 115 S CB 1.436 64.696 63.200 0.100 0.000 1.157 115 S HN 0.146 nan 8.310 nan 0.000 0.482 116 L N 1.114 122.380 121.223 0.071 0.000 2.549 116 L HA 0.038 4.379 4.340 0.001 0.000 0.229 116 L C 1.127 178.006 176.870 0.015 0.000 1.158 116 L CA 1.287 56.125 54.840 -0.004 0.000 0.842 116 L CB -1.007 41.036 42.059 -0.027 0.000 0.952 116 L HN 0.884 nan 8.230 nan 0.000 0.452 117 N N -3.701 115.078 118.700 0.132 0.000 2.036 117 N HA 0.026 4.767 4.740 0.001 0.000 0.228 117 N C -0.064 175.579 175.510 0.222 0.000 1.368 117 N CA -0.224 52.931 53.050 0.176 0.000 0.846 117 N CB 0.502 39.029 38.487 0.066 0.000 1.145 117 N HN -0.179 nan 8.380 nan 0.000 0.502 118 T N 0.391 115.069 114.554 0.206 0.000 2.856 118 T HA 0.581 4.932 4.350 0.001 0.000 0.283 118 T C -0.844 173.766 174.700 -0.149 0.000 1.008 118 T CA -0.577 61.537 62.100 0.024 0.000 0.997 118 T CB 2.517 71.371 68.868 -0.023 0.000 0.992 118 T HN -0.132 nan 8.240 nan 0.000 0.454 119 V N 2.287 121.978 119.914 -0.372 0.000 2.448 119 V HA 0.711 4.832 4.120 0.001 0.000 0.295 119 V C 0.157 176.148 176.094 -0.172 0.000 1.025 119 V CA -0.924 61.027 62.300 -0.582 0.000 0.859 119 V CB 1.389 32.696 31.823 -0.859 0.000 0.988 119 V HN 1.114 nan 8.190 nan 0.000 0.431 120 A N 6.583 129.335 122.820 -0.113 0.000 2.309 120 A HA 0.864 5.185 4.320 0.001 0.000 0.298 120 A C -0.689 176.927 177.584 0.054 0.000 1.165 120 A CA -0.406 51.622 52.037 -0.014 0.000 0.821 120 A CB 0.444 19.419 19.000 -0.042 0.000 1.102 120 A HN 0.798 nan 8.150 nan 0.000 0.500 121 L N 2.667 123.920 121.223 0.050 0.000 2.362 121 L HA 0.601 4.941 4.340 0.001 0.000 0.275 121 L C -0.983 175.890 176.870 0.005 0.000 0.998 121 L CA -0.956 53.914 54.840 0.051 0.000 0.820 121 L CB 1.906 43.915 42.059 -0.084 0.000 1.270 121 L HN 0.388 nan 8.230 nan 0.000 0.415 122 V N 1.032 120.971 119.914 0.041 0.000 2.444 122 V HA 0.491 4.611 4.120 0.001 0.000 0.294 122 V C 0.368 176.470 176.094 0.014 0.000 1.022 122 V CA -0.487 61.837 62.300 0.040 0.000 0.850 122 V CB 1.711 33.607 31.823 0.121 0.000 0.992 122 V HN 0.938 nan 8.190 nan 0.000 0.426 123 T N -0.480 114.081 114.554 0.013 0.000 2.910 123 T HA 0.340 4.691 4.350 0.001 0.000 0.279 123 T C 0.706 175.416 174.700 0.018 0.000 0.989 123 T CA -0.557 61.533 62.100 -0.017 0.000 0.968 123 T CB 1.352 70.206 68.868 -0.023 0.000 1.135 123 T HN 0.415 nan 8.240 nan 0.000 0.562 124 D N 0.880 121.285 120.400 0.009 0.000 2.182 124 D HA -0.097 4.544 4.640 0.001 0.000 0.201 124 D C 1.207 177.524 176.300 0.028 0.000 0.986 124 D CA 1.374 55.386 54.000 0.020 0.000 0.847 124 D CB -0.122 40.684 40.800 0.011 0.000 0.942 124 D HN 0.811 nan 8.370 nan 0.000 0.467 125 N N -0.859 117.857 118.700 0.026 0.000 2.451 125 N HA 0.435 5.176 4.740 0.001 0.000 0.271 125 N C -0.499 175.011 175.510 -0.000 0.000 1.410 125 N CA -0.371 52.692 53.050 0.022 0.000 0.884 125 N CB 1.492 39.988 38.487 0.015 0.000 1.332 125 N HN -0.034 nan 8.380 nan 0.000 0.498 126 A N -0.065 122.749 122.820 -0.011 0.000 2.567 126 A HA 0.537 4.858 4.320 0.001 0.000 0.291 126 A C -1.864 175.612 177.584 -0.180 0.000 1.048 126 A CA -0.520 51.429 52.037 -0.146 0.000 0.661 126 A CB 1.426 20.321 19.000 -0.174 0.000 1.288 126 A HN -0.003 nan 8.150 nan 0.000 0.424 127 V N 1.305 120.866 119.914 -0.588 0.000 2.588 127 V HA 0.697 4.818 4.120 0.001 0.000 0.304 127 V C -1.378 174.371 176.094 -0.576 0.000 1.042 127 V CA -0.442 61.521 62.300 -0.561 0.000 0.877 127 V CB 1.420 32.610 31.823 -1.054 0.000 0.996 127 V HN 0.774 nan 8.190 nan 0.000 0.425 128 Y N 1.851 121.941 120.300 -0.351 0.000 2.562 128 Y HA 0.631 5.182 4.550 0.001 0.000 0.343 128 Y C 0.177 176.084 175.900 0.011 0.000 1.025 128 Y CA -1.273 56.696 58.100 -0.218 0.000 1.082 128 Y CB 1.386 39.717 38.460 -0.215 0.000 1.264 128 Y HN 0.576 nan 8.280 nan 0.000 0.478 129 H N -0.099 119.002 119.070 0.052 0.000 2.569 129 H HA 0.284 4.841 4.556 0.001 0.000 0.357 129 H C -1.653 173.778 175.328 0.172 0.000 1.153 129 H CA -0.785 55.319 56.048 0.094 0.000 1.193 129 H CB 2.060 31.878 29.762 0.092 0.000 1.602 129 H HN 0.658 nan 8.280 nan 0.000 0.523 130 W N 3.020 124.329 121.300 0.016 0.000 2.802 130 W HA 0.250 4.910 4.660 0.001 0.000 0.331 130 W C -0.993 175.500 176.519 -0.044 0.000 1.021 130 W CA -0.797 56.524 57.345 -0.040 0.000 1.259 130 W CB 1.655 31.048 29.460 -0.112 0.000 1.323 130 W HN 0.355 nan 8.180 nan 0.000 0.432 131 S N 4.454 120.296 115.700 0.237 0.000 2.632 131 S HA 0.423 4.893 4.470 0.001 0.000 0.271 131 S C 0.838 175.355 174.600 -0.140 0.000 1.260 131 S CA -0.262 57.963 58.200 0.042 0.000 1.010 131 S CB 0.871 64.127 63.200 0.094 0.000 0.965 131 S HN 0.458 nan 8.310 nan 0.000 0.534 132 M N 1.558 121.081 119.600 -0.127 0.000 2.441 132 M HA 0.293 4.774 4.480 0.001 0.000 0.244 132 M C 0.374 176.631 176.300 -0.072 0.000 1.122 132 M CA 0.185 55.375 55.300 -0.183 0.000 1.041 132 M CB -1.365 31.169 32.600 -0.110 0.000 1.438 132 M HN 0.639 nan 8.290 nan 0.000 0.484 133 E N 1.359 121.549 120.200 -0.018 0.000 2.415 133 E HA 0.355 4.705 4.350 0.001 0.000 0.260 133 E C 1.040 177.653 176.600 0.021 0.000 1.016 133 E CA 1.125 57.529 56.400 0.007 0.000 0.924 133 E CB 0.138 29.854 29.700 0.025 0.000 0.961 133 E HN 0.496 nan 8.360 nan 0.000 0.459 134 G N 4.488 113.298 108.800 0.015 0.000 2.575 134 G HA2 -0.371 3.590 3.960 0.001 0.000 0.267 134 G HA3 -0.371 3.590 3.960 0.001 0.000 0.267 134 G C 0.268 175.195 174.900 0.046 0.000 1.264 134 G CA 0.257 45.374 45.100 0.028 0.000 0.935 134 G HN 0.595 nan 8.290 nan 0.000 0.568 135 E N 1.086 121.323 120.200 0.062 0.000 2.311 135 E HA 0.444 4.795 4.350 0.001 0.000 0.198 135 E C 1.049 177.726 176.600 0.128 0.000 1.115 135 E CA 0.507 56.959 56.400 0.087 0.000 1.140 135 E CB -0.027 29.711 29.700 0.064 0.000 1.204 135 E HN 0.566 nan 8.360 nan 0.000 0.446 136 S N 0.368 116.163 115.700 0.160 0.000 2.617 136 S HA 0.207 4.678 4.470 0.001 0.000 0.255 136 S C 0.340 175.126 174.600 0.311 0.000 1.318 136 S CA -0.396 57.929 58.200 0.207 0.000 0.978 136 S CB 0.742 64.081 63.200 0.232 0.000 0.961 136 S HN 0.193 nan 8.310 nan 0.000 0.582 137 Q N -0.452 119.471 119.800 0.205 0.000 2.615 137 Q HA 0.401 4.741 4.340 0.001 0.000 0.298 137 Q C -2.993 172.844 176.000 -0.272 0.000 1.023 137 Q CA -2.162 53.607 55.803 -0.057 0.000 0.768 137 Q CB 1.126 29.832 28.738 -0.053 0.000 1.500 137 Q HN 0.290 nan 8.270 nan 0.000 0.441 138 P HA 0.108 nan 4.420 nan 0.000 0.276 138 P C -1.055 176.189 177.300 -0.093 0.000 1.235 138 P CA -0.049 62.778 63.100 -0.455 0.000 0.772 138 P CB 0.541 31.753 31.700 -0.814 0.000 0.871 139 V N 4.608 124.536 119.914 0.024 0.000 2.293 139 V HA 0.191 4.312 4.120 0.001 0.000 0.275 139 V C 0.603 176.605 176.094 -0.154 0.000 1.021 139 V CA -0.871 61.417 62.300 -0.020 0.000 0.815 139 V CB 0.819 32.645 31.823 0.005 0.000 1.025 139 V HN 0.488 nan 8.190 nan 0.000 0.448 140 K N 4.635 124.823 120.400 -0.354 0.000 2.440 140 K HA -0.016 4.305 4.320 0.001 0.000 0.275 140 K C 1.008 177.294 176.600 -0.524 0.000 1.082 140 K CA 0.117 55.927 56.287 -0.794 0.000 1.135 140 K CB 0.411 32.469 32.500 -0.737 0.000 0.864 140 K HN 0.524 nan 8.250 nan 0.000 0.479 141 M N 4.501 123.729 119.600 -0.619 0.000 2.435 141 M HA 0.080 4.561 4.480 0.001 0.000 0.265 141 M C 0.173 176.198 176.300 -0.460 0.000 1.104 141 M CA 0.883 55.887 55.300 -0.493 0.000 1.140 141 M CB -0.794 31.463 32.600 -0.571 0.000 1.372 141 M HN 0.561 nan 8.290 nan 0.000 0.456 142 F N -2.630 116.954 119.950 -0.610 0.000 2.793 142 F HA 0.469 4.997 4.527 0.001 0.000 0.316 142 F C -1.763 173.821 175.800 -0.360 0.000 1.147 142 F CA -2.104 55.539 58.000 -0.595 0.000 0.930 142 F CB 0.297 38.561 39.000 -1.228 0.000 1.277 142 F HN -0.229 nan 8.300 nan 0.000 0.443 143 D N 1.527 121.965 120.400 0.064 0.000 2.264 143 D HA 0.313 4.953 4.640 0.001 0.000 0.249 143 D C -0.344 176.077 176.300 0.202 0.000 1.070 143 D CA -0.380 53.636 54.000 0.026 0.000 0.912 143 D CB 1.484 42.286 40.800 0.004 0.000 1.193 143 D HN 0.497 nan 8.370 nan 0.000 0.427 144 R N 1.069 121.638 120.500 0.116 0.000 2.389 144 R HA 0.055 4.396 4.340 0.001 0.000 0.295 144 R C 0.608 177.013 176.300 0.175 0.000 1.075 144 R CA -0.424 55.793 56.100 0.194 0.000 1.005 144 R CB 0.518 30.890 30.300 0.120 0.000 0.987 144 R HN 0.429 nan 8.270 nan 0.000 0.452 145 H N 1.673 120.820 119.070 0.128 0.000 2.897 145 H HA -0.058 4.498 4.556 0.001 0.000 0.347 145 H C 0.932 176.290 175.328 0.051 0.000 1.068 145 H CA 0.619 56.712 56.048 0.075 0.000 1.426 145 H CB 1.143 30.941 29.762 0.059 0.000 1.410 145 H HN 0.740 nan 8.280 nan 0.000 0.597 146 S N 2.036 117.836 115.700 0.168 0.000 2.442 146 S HA -0.213 4.257 4.470 0.001 0.000 0.236 146 S C 2.191 176.937 174.600 0.243 0.000 1.007 146 S CA 1.100 59.403 58.200 0.171 0.000 0.965 146 S CB -0.414 62.816 63.200 0.051 0.000 0.773 146 S HN 0.665 nan 8.310 nan 0.000 0.504 147 S N 1.162 117.110 115.700 0.415 0.000 2.419 147 S HA 0.073 4.544 4.470 0.001 0.000 0.233 147 S C 1.154 175.778 174.600 0.041 0.000 1.016 147 S CA 0.463 58.719 58.200 0.093 0.000 0.974 147 S CB -0.546 62.562 63.200 -0.154 0.000 0.786 147 S HN 0.385 nan 8.310 nan 0.000 0.492 148 L N 1.892 123.162 121.223 0.078 0.000 2.928 148 L HA 0.551 4.892 4.340 0.001 0.000 0.236 148 L C 0.496 177.404 176.870 0.062 0.000 1.290 148 L CA -0.390 54.483 54.840 0.054 0.000 1.099 148 L CB -0.517 41.588 42.059 0.077 0.000 1.437 148 L HN 0.425 nan 8.230 nan 0.000 0.493 149 A N -0.854 122.001 122.820 0.059 0.000 2.322 149 A HA 0.644 4.965 4.320 0.001 0.000 0.327 149 A C 1.124 178.729 177.584 0.034 0.000 1.394 149 A CA 0.281 52.348 52.037 0.050 0.000 0.921 149 A CB 0.063 19.095 19.000 0.053 0.000 1.153 149 A HN 0.582 nan 8.150 nan 0.000 0.523 150 G N 0.629 109.448 108.800 0.031 0.000 2.211 150 G HA2 -0.197 3.764 3.960 0.001 0.000 0.201 150 G HA3 -0.197 3.764 3.960 0.001 0.000 0.201 150 G C 0.498 175.411 174.900 0.022 0.000 0.997 150 G CA -0.040 45.074 45.100 0.025 0.000 0.652 150 G HN 0.883 nan 8.290 nan 0.000 0.500 151 C N 0.958 120.270 119.300 0.021 0.000 2.639 151 C HA 0.580 5.040 4.460 0.001 0.000 0.360 151 C C 0.985 175.992 174.990 0.028 0.000 1.351 151 C CA 0.314 59.340 59.018 0.013 0.000 2.408 151 C CB 1.178 28.920 27.740 0.004 0.000 2.517 151 C HN 0.650 nan 8.230 nan 0.000 0.696 152 Q N 1.701 121.518 119.800 0.028 0.000 2.340 152 Q HA 0.398 4.739 4.340 0.001 0.000 0.259 152 Q C -0.796 175.233 176.000 0.049 0.000 0.964 152 Q CA -0.486 55.354 55.803 0.061 0.000 0.900 152 Q CB 0.455 29.228 28.738 0.059 0.000 1.228 152 Q HN 0.565 nan 8.270 nan 0.000 0.449 153 I N 6.468 127.075 120.570 0.063 0.000 2.588 153 I HA -0.009 4.162 4.170 0.001 0.000 0.283 153 I C 1.091 177.164 176.117 -0.074 0.000 1.119 153 I CA 0.364 61.626 61.300 -0.062 0.000 1.419 153 I CB 0.632 38.567 38.000 -0.110 0.000 1.394 153 I HN 0.881 nan 8.210 nan 0.000 0.562 154 I N 1.589 122.027 120.570 -0.220 0.000 4.655 154 I HA 0.399 4.570 4.170 0.001 0.000 0.333 154 I C -0.015 176.100 176.117 -0.004 0.000 1.312 154 I CA -0.068 61.260 61.300 0.047 0.000 1.270 154 I CB 0.917 38.926 38.000 0.016 0.000 1.318 154 I HN 0.562 nan 8.210 nan 0.000 0.456 155 N N 0.415 118.921 118.700 -0.324 0.000 2.961 155 N HA 0.444 5.185 4.740 0.001 0.000 0.245 155 N C -2.194 173.404 175.510 0.145 0.000 1.404 155 N CA -0.401 52.690 53.050 0.068 0.000 0.880 155 N CB 1.899 40.522 38.487 0.227 0.000 1.461 155 N HN 0.159 nan 8.380 nan 0.000 0.510 156 Y N 1.320 121.794 120.300 0.291 0.000 2.287 156 Y HA 0.475 5.026 4.550 0.001 0.000 0.321 156 Y C -1.359 174.756 175.900 0.358 0.000 1.173 156 Y CA -0.464 57.833 58.100 0.327 0.000 1.124 156 Y CB 0.739 39.450 38.460 0.419 0.000 1.201 156 Y HN 0.591 nan 8.280 nan 0.000 0.421 157 R N 2.929 123.291 120.500 -0.230 0.000 2.888 157 R HA 0.879 5.220 4.340 0.001 0.000 0.266 157 R C -1.114 175.186 176.300 0.000 0.000 1.020 157 R CA -1.278 54.806 56.100 -0.026 0.000 0.963 157 R CB 2.246 32.678 30.300 0.219 0.000 1.197 157 R HN 0.492 nan 8.270 nan 0.000 0.481 158 T N 0.633 115.286 114.554 0.164 0.000 2.916 158 T HA 0.194 4.544 4.350 0.001 0.000 0.292 158 T C -0.851 173.840 174.700 -0.016 0.000 1.055 158 T CA -0.864 61.272 62.100 0.060 0.000 1.009 158 T CB 1.634 70.552 68.868 0.084 0.000 1.118 158 T HN 0.704 nan 8.240 nan 0.000 0.497 159 D N 0.816 120.933 120.400 -0.473 0.000 2.447 159 D HA 0.355 4.996 4.640 0.001 0.000 0.265 159 D C 1.444 177.725 176.300 -0.032 0.000 1.250 159 D CA -0.425 53.358 54.000 -0.362 0.000 1.046 159 D CB 0.851 41.374 40.800 -0.463 0.000 1.095 159 D HN 0.490 nan 8.370 nan 0.000 0.555 160 A N 0.469 123.313 122.820 0.039 0.000 1.858 160 A HA -0.202 4.118 4.320 0.001 0.000 0.216 160 A C 1.988 179.604 177.584 0.054 0.000 1.190 160 A CA 1.514 53.589 52.037 0.063 0.000 0.617 160 A CB -0.670 18.374 19.000 0.073 0.000 0.827 160 A HN 0.640 nan 8.150 nan 0.000 0.443 161 K N -0.494 119.935 120.400 0.048 0.000 2.551 161 K HA 0.069 4.390 4.320 0.001 0.000 0.192 161 K C 0.028 176.652 176.600 0.040 0.000 1.027 161 K CA 0.390 56.705 56.287 0.045 0.000 1.059 161 K CB -0.058 32.469 32.500 0.044 0.000 0.831 161 K HN 0.560 nan 8.250 nan 0.000 0.508 162 Q N -0.219 119.607 119.800 0.043 0.000 2.461 162 Q HA -0.255 4.086 4.340 0.001 0.000 0.273 162 Q C 0.506 176.528 176.000 0.036 0.000 1.163 162 Q CA 0.497 56.351 55.803 0.085 0.000 0.929 162 Q CB -0.400 28.434 28.738 0.160 0.000 1.334 162 Q HN 0.134 nan 8.270 nan 0.000 0.499 163 K N -1.327 119.035 120.400 -0.062 0.000 2.308 163 K HA 0.062 4.383 4.320 0.001 0.000 0.197 163 K C -0.079 176.217 176.600 -0.505 0.000 1.049 163 K CA 0.826 56.958 56.287 -0.257 0.000 0.991 163 K CB 0.363 32.691 32.500 -0.286 0.000 0.836 163 K HN 0.215 nan 8.250 nan 0.000 0.500 164 W N 1.409 122.570 121.300 -0.232 0.000 2.587 164 W HA 0.479 5.140 4.660 0.001 0.000 0.324 164 W C -0.486 175.875 176.519 -0.263 0.000 1.040 164 W CA -0.620 56.537 57.345 -0.313 0.000 1.222 164 W CB 1.049 30.151 29.460 -0.597 0.000 1.381 164 W HN -0.278 nan 8.180 nan 0.000 0.483 165 L N 4.523 125.874 121.223 0.214 0.000 2.365 165 L HA 0.658 4.999 4.340 0.001 0.000 0.273 165 L C -1.056 175.977 176.870 0.272 0.000 1.000 165 L CA -1.284 53.713 54.840 0.263 0.000 0.819 165 L CB 1.619 43.982 42.059 0.507 0.000 1.284 165 L HN 0.217 nan 8.230 nan 0.000 0.418 166 L N 4.200 125.551 121.223 0.214 0.000 2.376 166 L HA 0.587 4.928 4.340 0.001 0.000 0.275 166 L C -1.280 175.711 176.870 0.202 0.000 0.987 166 L CA -0.421 54.527 54.840 0.181 0.000 0.828 166 L CB 1.756 43.904 42.059 0.149 0.000 1.249 166 L HN 0.475 nan 8.230 nan 0.000 0.409 167 L N 4.722 126.134 121.223 0.316 0.000 2.305 167 L HA 0.707 5.048 4.340 0.001 0.000 0.284 167 L C -0.661 176.316 176.870 0.180 0.000 1.013 167 L CA 0.289 55.354 54.840 0.376 0.000 0.819 167 L CB 1.665 44.014 42.059 0.482 0.000 1.227 167 L HN 0.671 nan 8.230 nan 0.000 0.417 168 T N 4.361 118.983 114.554 0.113 0.000 2.779 168 T HA 0.816 5.167 4.350 0.001 0.000 0.280 168 T C 0.083 174.783 174.700 -0.001 0.000 0.987 168 T CA -0.318 61.813 62.100 0.051 0.000 0.966 168 T CB 1.407 70.319 68.868 0.072 0.000 0.933 168 T HN 0.873 nan 8.240 nan 0.000 0.442 169 G N 1.818 110.613 108.800 -0.009 0.000 2.685 169 G HA2 0.894 4.855 3.960 0.001 0.000 0.298 169 G HA3 0.894 4.855 3.960 0.001 0.000 0.298 169 G C -1.019 173.858 174.900 -0.040 0.000 1.277 169 G CA -1.023 44.064 45.100 -0.021 0.000 0.986 169 G HN 0.937 nan 8.290 nan 0.000 0.487 170 I N -2.290 118.255 120.570 -0.043 0.000 2.918 170 I HA 0.855 5.025 4.170 0.001 0.000 0.301 170 I C -0.607 175.472 176.117 -0.063 0.000 1.312 170 I CA -0.991 60.262 61.300 -0.079 0.000 1.007 170 I CB 2.283 40.219 38.000 -0.107 0.000 1.281 170 I HN 0.789 nan 8.210 nan 0.000 0.440 171 S N 2.472 118.123 115.700 -0.081 0.000 2.611 171 S HA 0.860 5.331 4.470 0.001 0.000 0.268 171 S C -0.886 173.680 174.600 -0.058 0.000 1.156 171 S CA -0.545 57.625 58.200 -0.051 0.000 0.817 171 S CB 1.385 64.567 63.200 -0.031 0.000 1.122 171 S HN 1.402 nan 8.310 nan 0.000 0.466 172 A N 1.036 123.839 122.820 -0.029 0.000 2.276 172 A HA 0.711 5.032 4.320 0.001 0.000 0.300 172 A C -0.295 177.278 177.584 -0.019 0.000 1.235 172 A CA -0.439 51.586 52.037 -0.020 0.000 0.867 172 A CB 0.137 19.138 19.000 0.002 0.000 1.137 172 A HN 0.659 nan 8.150 nan 0.000 0.527 173 Q N 1.708 121.495 119.800 -0.023 0.000 2.284 173 Q HA 0.327 4.668 4.340 0.001 0.000 0.269 173 Q C -1.088 174.901 176.000 -0.017 0.000 1.026 173 Q CA -0.685 55.106 55.803 -0.020 0.000 0.831 173 Q CB 1.875 30.596 28.738 -0.028 0.000 1.322 173 Q HN 0.843 nan 8.270 nan 0.000 0.419 174 Q N 1.431 121.224 119.800 -0.012 0.000 2.435 174 Q HA -0.304 4.037 4.340 0.001 0.000 0.312 174 Q C -0.839 175.156 176.000 -0.009 0.000 1.333 174 Q CA 0.889 56.686 55.803 -0.010 0.000 0.883 174 Q CB -1.750 26.980 28.738 -0.014 0.000 1.170 174 Q HN 0.940 nan 8.270 nan 0.000 0.443 175 N N -1.050 117.647 118.700 -0.004 0.000 2.708 175 N HA -0.286 4.455 4.740 0.001 0.000 0.249 175 N C -0.158 175.352 175.510 0.001 0.000 1.097 175 N CA 1.340 54.391 53.050 0.001 0.000 0.710 175 N CB -0.718 37.770 38.487 0.001 0.000 1.032 175 N HN 0.716 nan 8.380 nan 0.000 0.551 176 R N -2.486 118.010 120.500 -0.007 0.000 2.799 176 R HA 0.676 5.017 4.340 0.001 0.000 0.270 176 R C -1.341 174.938 176.300 -0.036 0.000 1.010 176 R CA -0.950 55.144 56.100 -0.011 0.000 0.916 176 R CB 1.184 31.471 30.300 -0.021 0.000 1.228 176 R HN -0.107 nan 8.270 nan 0.000 0.469 177 V N 2.631 122.501 119.914 -0.074 0.000 2.353 177 V HA 0.229 4.350 4.120 0.001 0.000 0.264 177 V C -0.273 175.748 176.094 -0.121 0.000 1.049 177 V CA -0.468 61.710 62.300 -0.203 0.000 0.896 177 V CB 1.104 32.558 31.823 -0.615 0.000 1.025 177 V HN 0.507 nan 8.190 nan 0.000 0.475 178 V N 4.143 123.990 119.914 -0.110 0.000 2.439 178 V HA 0.613 4.734 4.120 0.001 0.000 0.282 178 V C 0.893 176.852 176.094 -0.226 0.000 1.039 178 V CA -0.437 61.784 62.300 -0.132 0.000 0.913 178 V CB 1.503 33.263 31.823 -0.105 0.000 0.983 178 V HN 0.841 nan 8.190 nan 0.000 0.460 179 G N 2.962 111.481 108.800 -0.469 0.000 2.377 179 G HA2 0.574 4.534 3.960 0.001 0.000 0.316 179 G HA3 0.574 4.534 3.960 0.001 0.000 0.316 179 G C -0.050 174.690 174.900 -0.267 0.000 1.115 179 G CA -0.223 44.604 45.100 -0.455 0.000 0.952 179 G HN 1.119 nan 8.290 nan 0.000 0.441 180 A N 4.616 127.341 122.820 -0.158 0.000 2.366 180 A HA 0.669 4.990 4.320 0.001 0.000 0.322 180 A C 0.481 178.015 177.584 -0.083 0.000 1.397 180 A CA -0.434 51.532 52.037 -0.118 0.000 0.984 180 A CB 0.139 19.088 19.000 -0.084 0.000 1.149 180 A HN 0.674 nan 8.150 nan 0.000 0.540 181 M N 1.412 120.952 119.600 -0.100 0.000 2.409 181 M HA 0.411 4.892 4.480 0.001 0.000 0.329 181 M C -0.061 176.194 176.300 -0.076 0.000 1.180 181 M CA -0.305 54.959 55.300 -0.061 0.000 1.053 181 M CB 1.730 34.287 32.600 -0.072 0.000 1.586 181 M HN 0.769 nan 8.290 nan 0.000 0.461 182 Q N 2.771 122.566 119.800 -0.009 0.000 2.320 182 Q HA 0.488 4.829 4.340 0.001 0.000 0.268 182 Q C -2.120 173.871 176.000 -0.015 0.000 1.023 182 Q CA -0.686 55.113 55.803 -0.005 0.000 0.744 182 Q CB 1.592 30.395 28.738 0.108 0.000 1.246 182 Q HN 0.652 nan 8.270 nan 0.000 0.462 183 L N 5.062 126.240 121.223 -0.075 0.000 2.265 183 L HA 0.476 4.817 4.340 0.001 0.000 0.289 183 L C -1.862 174.988 176.870 -0.033 0.000 1.033 183 L CA -0.387 54.404 54.840 -0.081 0.000 0.814 183 L CB 0.863 42.797 42.059 -0.208 0.000 1.203 183 L HN 0.690 nan 8.230 nan 0.000 0.423 184 Y N 3.519 123.691 120.300 -0.212 0.000 2.377 184 Y HA 0.573 5.124 4.550 0.001 0.000 0.339 184 Y C -0.151 175.615 175.900 -0.223 0.000 1.011 184 Y CA -0.263 57.621 58.100 -0.360 0.000 1.093 184 Y CB 1.813 39.729 38.460 -0.906 0.000 1.201 184 Y HN 0.654 nan 8.280 nan 0.000 0.455 185 S N 4.486 119.647 115.700 -0.898 0.000 2.429 185 S HA 0.336 4.806 4.470 0.001 0.000 0.302 185 S C 0.425 174.362 174.600 -1.106 0.000 1.115 185 S CA -0.662 56.886 58.200 -1.088 0.000 1.095 185 S CB 0.863 63.501 63.200 -0.937 0.000 0.987 185 S HN 0.704 nan 8.310 nan 0.000 0.474 186 V N 4.769 124.290 119.914 -0.656 0.000 2.379 186 V HA -0.071 4.050 4.120 0.001 0.000 0.245 186 V C 1.843 177.767 176.094 -0.283 0.000 1.044 186 V CA 1.784 63.955 62.300 -0.215 0.000 1.036 186 V CB -0.503 31.254 31.823 -0.110 0.000 0.664 186 V HN 0.748 nan 8.190 nan 0.000 0.453 187 D N 0.513 120.673 120.400 -0.400 0.000 2.077 187 D HA -0.113 4.528 4.640 0.001 0.000 0.196 187 D C 2.257 178.396 176.300 -0.268 0.000 0.986 187 D CA 1.260 55.090 54.000 -0.284 0.000 0.829 187 D CB -0.304 40.328 40.800 -0.279 0.000 0.983 187 D HN 0.366 nan 8.370 nan 0.000 0.453 188 R N 0.802 121.091 120.500 -0.351 0.000 2.323 188 R HA 0.053 4.394 4.340 0.001 0.000 0.198 188 R C 0.199 176.319 176.300 -0.300 0.000 0.988 188 R CA 0.056 55.993 56.100 -0.272 0.000 1.041 188 R CB 0.087 30.244 30.300 -0.239 0.000 0.926 188 R HN -0.030 nan 8.270 nan 0.000 0.476 189 K N 0.079 120.237 120.400 -0.404 0.000 2.948 189 K HA -0.172 4.149 4.320 0.001 0.000 0.253 189 K C -0.395 175.991 176.600 -0.357 0.000 0.970 189 K CA 0.755 56.830 56.287 -0.353 0.000 0.716 189 K CB -2.105 30.344 32.500 -0.086 0.000 1.249 189 K HN 0.238 nan 8.250 nan 0.000 0.483 190 V N -0.092 119.506 119.914 -0.528 0.000 2.604 190 V HA 0.495 4.616 4.120 0.001 0.000 0.305 190 V C -0.300 175.610 176.094 -0.308 0.000 1.043 190 V CA -0.574 61.547 62.300 -0.298 0.000 0.888 190 V CB 2.286 34.004 31.823 -0.175 0.000 0.995 190 V HN 0.300 nan 8.190 nan 0.000 0.429 191 S N 5.629 121.277 115.700 -0.086 0.000 2.525 191 S HA 0.568 5.039 4.470 0.001 0.000 0.290 191 S C -0.774 173.843 174.600 0.029 0.000 1.152 191 S CA -0.474 57.722 58.200 -0.006 0.000 1.072 191 S CB 1.491 64.761 63.200 0.116 0.000 1.027 191 S HN 0.845 nan 8.310 nan 0.000 0.500 192 Q N 2.045 121.843 119.800 -0.004 0.000 2.310 192 Q HA 0.395 4.736 4.340 0.001 0.000 0.270 192 Q C -2.920 173.023 176.000 -0.095 0.000 1.025 192 Q CA -2.341 53.447 55.803 -0.023 0.000 0.772 192 Q CB 1.487 30.206 28.738 -0.032 0.000 1.253 192 Q HN 0.257 nan 8.270 nan 0.000 0.450 193 P HA 0.229 nan 4.420 nan 0.000 0.271 193 P C -0.990 176.194 177.300 -0.193 0.000 1.216 193 P CA 0.284 63.215 63.100 -0.282 0.000 0.771 193 P CB 0.586 32.042 31.700 -0.406 0.000 0.864 194 I N 1.293 121.742 120.570 -0.202 0.000 2.610 194 I HA 0.203 4.373 4.170 0.001 0.000 0.289 194 I C 0.178 176.181 176.117 -0.190 0.000 1.163 194 I CA -0.800 60.370 61.300 -0.216 0.000 1.044 194 I CB 2.334 40.133 38.000 -0.335 0.000 1.251 194 I HN 0.259 nan 8.210 nan 0.000 0.424 195 E N 4.726 124.845 120.200 -0.135 0.000 2.265 195 E HA 0.515 4.865 4.350 0.001 0.000 0.272 195 E C -0.310 176.237 176.600 -0.088 0.000 1.067 195 E CA -0.048 56.281 56.400 -0.119 0.000 0.900 195 E CB 0.893 30.547 29.700 -0.077 0.000 1.017 195 E HN 0.835 nan 8.360 nan 0.000 0.431 196 G N 3.227 111.928 108.800 -0.165 0.000 2.632 196 G HA2 0.165 4.126 3.960 0.001 0.000 0.292 196 G HA3 0.165 4.126 3.960 0.001 0.000 0.292 196 G C -0.588 174.207 174.900 -0.176 0.000 1.465 196 G CA -0.497 44.562 45.100 -0.068 0.000 0.824 196 G HN 0.579 nan 8.290 nan 0.000 0.509 197 H N 0.008 119.152 119.070 0.123 0.000 2.373 197 H HA 0.548 5.105 4.556 0.001 0.000 0.290 197 H C 1.206 176.626 175.328 0.153 0.000 0.989 197 H CA 1.128 57.249 56.048 0.122 0.000 1.250 197 H CB 1.199 31.075 29.762 0.190 0.000 1.477 197 H HN 0.724 nan 8.280 nan 0.000 0.551 198 A N 0.462 123.462 122.820 0.300 0.000 2.479 198 A HA 0.802 5.123 4.320 0.001 0.000 0.296 198 A C -1.058 176.617 177.584 0.152 0.000 1.121 198 A CA 0.140 52.305 52.037 0.214 0.000 0.743 198 A CB 2.029 21.153 19.000 0.206 0.000 1.323 198 A HN 0.438 nan 8.150 nan 0.000 0.415 199 A N -0.497 122.386 122.820 0.105 0.000 2.522 199 A HA 0.851 5.172 4.320 0.001 0.000 0.291 199 A C -0.616 176.970 177.584 0.003 0.000 1.039 199 A CA 0.321 52.361 52.037 0.006 0.000 0.643 199 A CB 0.423 19.426 19.000 0.004 0.000 1.310 199 A HN 2.434 nan 8.150 nan 0.000 0.436 200 S N -0.791 114.854 115.700 -0.092 0.000 2.567 200 S HA 0.804 5.275 4.470 0.001 0.000 0.270 200 S C -1.496 173.050 174.600 -0.091 0.000 1.152 200 S CA -0.502 57.684 58.200 -0.023 0.000 0.835 200 S CB 0.631 63.876 63.200 0.073 0.000 1.115 200 S HN 0.957 nan 8.310 nan 0.000 0.459 201 F N 1.527 121.595 119.950 0.198 0.000 2.411 201 F HA 0.880 5.408 4.527 0.001 0.000 0.324 201 F C 0.774 176.634 175.800 0.100 0.000 1.086 201 F CA 0.098 58.201 58.000 0.172 0.000 1.028 201 F CB 1.914 41.010 39.000 0.160 0.000 1.284 201 F HN 0.864 nan 8.300 nan 0.000 0.501 202 A N 0.903 123.897 122.820 0.289 0.000 2.594 202 A HA 0.513 4.834 4.320 0.001 0.000 0.296 202 A C -1.722 175.945 177.584 0.139 0.000 1.056 202 A CA -0.916 51.221 52.037 0.166 0.000 0.693 202 A CB 1.518 20.567 19.000 0.082 0.000 1.278 202 A HN 0.497 nan 8.150 nan 0.000 0.408 203 Q N 0.602 120.487 119.800 0.141 0.000 2.257 203 Q HA 0.629 4.970 4.340 0.001 0.000 0.255 203 Q C -1.763 174.369 176.000 0.220 0.000 0.920 203 Q CA 0.011 55.898 55.803 0.140 0.000 0.927 203 Q CB 1.874 30.678 28.738 0.110 0.000 1.229 203 Q HN 0.611 nan 8.270 nan 0.000 0.433 204 F N 1.765 121.702 119.950 -0.022 0.000 2.607 204 F HA 0.249 4.777 4.527 0.001 0.000 0.322 204 F C -0.672 175.135 175.800 0.012 0.000 1.176 204 F CA -0.833 57.153 58.000 -0.024 0.000 0.977 204 F CB 1.371 40.308 39.000 -0.104 0.000 1.242 204 F HN 0.295 nan 8.300 nan 0.000 0.465 205 K N 8.206 128.317 120.400 -0.483 0.000 2.231 205 K HA 0.386 4.707 4.320 0.001 0.000 0.275 205 K C -0.317 175.961 176.600 -0.536 0.000 1.105 205 K CA -0.416 55.653 56.287 -0.363 0.000 0.931 205 K CB 0.395 32.774 32.500 -0.202 0.000 1.296 205 K HN 0.764 nan 8.250 nan 0.000 0.446 206 M N 2.556 121.952 119.600 -0.340 0.000 2.252 206 M HA 0.014 4.494 4.480 0.001 0.000 0.329 206 M C 0.584 176.815 176.300 -0.114 0.000 1.101 206 M CA 0.463 55.658 55.300 -0.175 0.000 1.117 206 M CB 0.316 32.966 32.600 0.083 0.000 1.563 206 M HN 0.382 nan 8.290 nan 0.000 0.445 207 E N 1.365 121.525 120.200 -0.067 0.000 2.442 207 E HA 0.047 4.398 4.350 0.001 0.000 0.262 207 E C 0.996 177.588 176.600 -0.014 0.000 1.004 207 E CA 1.171 57.549 56.400 -0.036 0.000 0.928 207 E CB 0.568 30.265 29.700 -0.006 0.000 0.937 207 E HN 0.952 nan 8.360 nan 0.000 0.446 208 G N 3.050 111.842 108.800 -0.013 0.000 2.143 208 G HA2 -0.253 3.708 3.960 0.001 0.000 0.248 208 G HA3 -0.253 3.708 3.960 0.001 0.000 0.248 208 G C 0.022 174.922 174.900 0.000 0.000 0.991 208 G CA 0.117 45.216 45.100 -0.002 0.000 0.689 208 G HN 0.450 nan 8.290 nan 0.000 0.522 209 N N -0.650 118.045 118.700 -0.009 0.000 2.284 209 N HA 0.743 5.484 4.740 0.001 0.000 0.300 209 N C 0.984 176.488 175.510 -0.010 0.000 1.047 209 N CA 0.203 53.252 53.050 -0.002 0.000 0.821 209 N CB 1.714 40.203 38.487 0.003 0.000 1.337 209 N HN 0.302 nan 8.380 nan 0.000 0.482 210 A N 1.653 124.473 122.820 0.000 0.000 1.855 210 A HA 0.022 4.342 4.320 0.001 0.000 0.213 210 A C 0.742 178.325 177.584 -0.002 0.000 1.195 210 A CA 1.175 53.212 52.037 -0.001 0.000 0.610 210 A CB -0.107 18.896 19.000 0.006 0.000 0.837 210 A HN 0.554 nan 8.150 nan 0.000 0.444 211 E N 0.391 120.595 120.200 0.008 0.000 2.302 211 E HA 0.413 4.763 4.350 0.001 0.000 0.255 211 E C -0.606 175.998 176.600 0.008 0.000 1.099 211 E CA -0.394 56.013 56.400 0.012 0.000 0.929 211 E CB 0.394 30.109 29.700 0.025 0.000 1.203 211 E HN 0.549 nan 8.360 nan 0.000 0.459 212 E N 0.123 120.333 120.200 0.016 0.000 2.283 212 E HA 0.391 4.742 4.350 0.001 0.000 0.267 212 E C -0.651 175.979 176.600 0.050 0.000 1.045 212 E CA -0.535 55.874 56.400 0.017 0.000 0.884 212 E CB 1.142 30.858 29.700 0.026 0.000 1.106 212 E HN 0.184 nan 8.360 nan 0.000 0.408 213 S N 0.632 116.370 115.700 0.064 0.000 2.578 213 S HA 0.302 4.773 4.470 0.001 0.000 0.283 213 S C -0.405 174.235 174.600 0.067 0.000 1.195 213 S CA -0.775 57.474 58.200 0.082 0.000 1.050 213 S CB 1.458 64.724 63.200 0.111 0.000 1.012 213 S HN 0.358 nan 8.310 nan 0.000 0.511 214 T N 3.535 118.122 114.554 0.055 0.000 2.801 214 T HA 0.401 4.751 4.350 0.001 0.000 0.306 214 T C -0.106 174.599 174.700 0.009 0.000 1.020 214 T CA -0.369 61.761 62.100 0.049 0.000 0.948 214 T CB -0.159 68.745 68.868 0.060 0.000 0.962 214 T HN 0.338 nan 8.240 nan 0.000 0.465 215 L N 3.231 124.471 121.223 0.028 0.000 2.379 215 L HA 0.636 4.977 4.340 0.001 0.000 0.269 215 L C -0.489 176.511 176.870 0.217 0.000 1.084 215 L CA -0.963 53.873 54.840 -0.008 0.000 0.802 215 L CB 0.889 42.821 42.059 -0.212 0.000 1.175 215 L HN 0.528 nan 8.230 nan 0.000 0.448 216 F N 2.767 122.698 119.950 -0.031 0.000 2.553 216 F HA 0.422 4.950 4.527 0.001 0.000 0.335 216 F C -0.637 175.130 175.800 -0.055 0.000 1.148 216 F CA -1.172 56.766 58.000 -0.104 0.000 0.963 216 F CB 1.102 40.043 39.000 -0.098 0.000 1.217 216 F HN 0.409 nan 8.300 nan 0.000 0.441 217 C N 8.689 127.727 119.300 -0.436 0.000 2.382 217 C HA 0.901 5.362 4.460 0.001 0.000 0.327 217 C C -1.030 173.602 174.990 -0.596 0.000 1.250 217 C CA -0.507 58.229 59.018 -0.471 0.000 1.707 217 C CB -0.452 27.124 27.740 -0.273 0.000 2.272 217 C HN 0.790 nan 8.230 nan 0.000 0.506 218 F N 3.784 123.346 119.950 -0.646 0.000 2.628 218 F HA 0.809 5.337 4.527 0.001 0.000 0.309 218 F C -0.579 175.075 175.800 -0.243 0.000 1.108 218 F CA -0.730 56.983 58.000 -0.478 0.000 0.971 218 F CB 0.755 39.374 39.000 -0.635 0.000 1.279 218 F HN 0.789 nan 8.300 nan 0.000 0.441 219 A N 2.478 125.251 122.820 -0.078 0.000 2.355 219 A HA 0.914 5.234 4.320 0.001 0.000 0.324 219 A C -1.575 176.102 177.584 0.156 0.000 1.117 219 A CA -0.882 51.101 52.037 -0.090 0.000 0.785 219 A CB 1.826 20.786 19.000 -0.066 0.000 1.254 219 A HN 1.619 nan 8.150 nan 0.000 0.453 220 V N 1.896 121.893 119.914 0.139 0.000 3.087 220 V HA 0.672 4.792 4.120 0.001 0.000 0.306 220 V C -1.068 175.154 176.094 0.214 0.000 1.187 220 V CA -0.775 61.697 62.300 0.287 0.000 0.999 220 V CB 2.240 34.181 31.823 0.196 0.000 1.049 220 V HN 0.925 nan 8.190 nan 0.000 0.431 221 R N 3.077 123.759 120.500 0.304 0.000 2.402 221 R HA 0.542 4.882 4.340 0.001 0.000 0.290 221 R C 0.051 176.382 176.300 0.052 0.000 1.321 221 R CA 0.282 56.373 56.100 -0.015 0.000 1.283 221 R CB 0.980 31.084 30.300 -0.326 0.000 1.111 221 R HN 0.992 nan 8.270 nan 0.000 0.578 222 G N 0.364 109.173 108.800 0.015 0.000 2.583 222 G HA2 0.054 4.015 3.960 0.001 0.000 0.280 222 G HA3 0.054 4.015 3.960 0.001 0.000 0.280 222 G C 0.448 175.334 174.900 -0.023 0.000 1.376 222 G CA -0.302 44.797 45.100 -0.001 0.000 1.043 222 G HN 0.497 nan 8.290 nan 0.000 0.538 223 Q N -0.644 119.144 119.800 -0.019 0.000 2.226 223 Q HA -0.073 4.267 4.340 0.001 0.000 0.204 223 Q C 2.529 178.518 176.000 -0.019 0.000 0.975 223 Q CA 1.208 56.998 55.803 -0.022 0.000 0.866 223 Q CB -0.187 28.541 28.738 -0.016 0.000 0.915 223 Q HN 0.495 nan 8.270 nan 0.000 0.440 224 A N 0.796 123.612 122.820 -0.006 0.000 2.248 224 A HA 0.260 4.580 4.320 0.001 0.000 0.210 224 A C 1.123 178.700 177.584 -0.012 0.000 1.174 224 A CA 0.920 52.957 52.037 0.000 0.000 0.750 224 A CB -0.720 18.291 19.000 0.018 0.000 0.780 224 A HN 0.467 nan 8.150 nan 0.000 0.478 225 G N -1.791 106.987 108.800 -0.038 0.000 2.484 225 G HA2 0.239 4.199 3.960 0.001 0.000 0.225 225 G HA3 0.239 4.199 3.960 0.001 0.000 0.225 225 G C 0.334 175.186 174.900 -0.080 0.000 1.250 225 G CA -0.203 44.856 45.100 -0.069 0.000 0.926 225 G HN 1.501 nan 8.290 nan 0.000 0.581 226 G N 0.185 108.954 108.800 -0.051 0.000 2.335 226 G HA2 0.643 4.604 3.960 0.001 0.000 0.316 226 G HA3 0.643 4.604 3.960 0.001 0.000 0.316 226 G C -0.414 174.478 174.900 -0.013 0.000 1.129 226 G CA -0.086 45.010 45.100 -0.007 0.000 0.899 226 G HN 0.603 nan 8.290 nan 0.000 0.448 227 K N 1.124 121.468 120.400 -0.093 0.000 2.482 227 K HA 0.543 4.864 4.320 0.001 0.000 0.257 227 K C -1.649 174.660 176.600 -0.485 0.000 0.969 227 K CA -0.926 55.191 56.287 -0.284 0.000 0.842 227 K CB 3.095 35.394 32.500 -0.334 0.000 1.359 227 K HN 0.385 nan 8.250 nan 0.000 0.441 228 L N 2.150 122.952 121.223 -0.702 0.000 2.404 228 L HA 0.400 4.740 4.340 0.001 0.000 0.272 228 L C -1.171 175.142 176.870 -0.929 0.000 0.980 228 L CA -0.401 53.956 54.840 -0.804 0.000 0.836 228 L CB 1.058 42.627 42.059 -0.817 0.000 1.238 228 L HN 0.598 nan 8.230 nan 0.000 0.408 229 H N 5.966 124.544 119.070 -0.819 0.000 2.499 229 H HA 0.560 5.116 4.556 0.001 0.000 0.340 229 H C -0.843 174.152 175.328 -0.556 0.000 1.148 229 H CA -0.614 55.026 56.048 -0.680 0.000 1.215 229 H CB 2.332 31.603 29.762 -0.819 0.000 1.529 229 H HN 0.522 nan 8.280 nan 0.000 0.510 230 I N 4.417 124.900 120.570 -0.144 0.000 2.468 230 I HA 0.287 4.457 4.170 0.001 0.000 0.284 230 I C -0.033 176.168 176.117 0.140 0.000 1.038 230 I CA -0.434 60.831 61.300 -0.059 0.000 1.083 230 I CB 1.352 39.351 38.000 -0.002 0.000 1.223 230 I HN 0.410 nan 8.210 nan 0.000 0.443 231 I N 1.480 122.127 120.570 0.130 0.000 2.934 231 I HA 0.597 4.768 4.170 0.001 0.000 0.306 231 I C -0.676 175.539 176.117 0.163 0.000 1.110 231 I CA -0.751 60.682 61.300 0.221 0.000 1.019 231 I CB 2.414 40.532 38.000 0.197 0.000 1.227 231 I HN 0.494 nan 8.210 nan 0.000 0.434 232 E N 2.482 122.807 120.200 0.207 0.000 2.331 232 E HA 0.399 4.750 4.350 0.001 0.000 0.272 232 E C -1.494 175.100 176.600 -0.010 0.000 1.036 232 E CA -0.556 55.901 56.400 0.095 0.000 0.864 232 E CB 2.091 31.900 29.700 0.182 0.000 1.035 232 E HN 0.527 nan 8.360 nan 0.000 0.408 233 V N 4.277 124.089 119.914 -0.170 0.000 2.513 233 V HA 0.668 4.789 4.120 0.001 0.000 0.299 233 V C 0.252 176.130 176.094 -0.361 0.000 1.035 233 V CA 0.923 62.893 62.300 -0.549 0.000 0.889 233 V CB 0.868 32.028 31.823 -1.104 0.000 0.988 233 V HN 1.018 nan 8.190 nan 0.000 0.440 234 G N 4.872 113.628 108.800 -0.074 0.000 2.681 234 G HA2 -0.168 3.793 3.960 0.001 0.000 0.220 234 G HA3 -0.168 3.793 3.960 0.001 0.000 0.220 234 G C -0.162 174.873 174.900 0.225 0.000 1.353 234 G CA -0.229 45.167 45.100 0.494 0.000 0.872 234 G HN 0.993 nan 8.290 nan 0.000 0.557 235 T N 3.367 118.047 114.554 0.211 0.000 2.771 235 T HA 0.571 4.922 4.350 0.001 0.000 0.291 235 T C -1.959 172.810 174.700 0.116 0.000 0.954 235 T CA -0.315 61.863 62.100 0.130 0.000 1.045 235 T CB 1.372 70.299 68.868 0.098 0.000 0.917 235 T HN 0.572 nan 8.240 nan 0.000 0.484 236 P HA 0.158 nan 4.420 nan 0.000 0.265 236 P C -2.455 174.891 177.300 0.077 0.000 1.187 236 P CA -1.006 62.150 63.100 0.093 0.000 0.766 236 P CB -0.382 31.370 31.700 0.087 0.000 0.820 237 P HA -0.015 nan 4.420 nan 0.000 0.264 237 P C -0.186 177.142 177.300 0.046 0.000 1.183 237 P CA 0.445 63.579 63.100 0.057 0.000 0.763 237 P CB 0.088 31.819 31.700 0.051 0.000 0.807 238 T N 3.162 117.739 114.554 0.038 0.000 2.800 238 T HA 0.236 4.587 4.350 0.001 0.000 0.283 238 T C 1.418 176.135 174.700 0.029 0.000 0.999 238 T CA 1.925 64.043 62.100 0.031 0.000 1.176 238 T CB -0.560 68.323 68.868 0.025 0.000 0.973 238 T HN 0.803 nan 8.240 nan 0.000 0.519 239 G N 4.260 113.077 108.800 0.028 0.000 2.376 239 G HA2 -0.210 3.751 3.960 0.001 0.000 0.208 239 G HA3 -0.210 3.751 3.960 0.001 0.000 0.208 239 G C 0.177 175.093 174.900 0.028 0.000 1.032 239 G CA -0.347 44.768 45.100 0.025 0.000 0.641 239 G HN 0.678 nan 8.290 nan 0.000 0.503 240 N N 1.472 120.193 118.700 0.036 0.000 2.508 240 N HA 0.374 5.115 4.740 0.001 0.000 0.264 240 N C 0.117 175.656 175.510 0.049 0.000 1.216 240 N CA -0.274 52.802 53.050 0.043 0.000 0.943 240 N CB 0.392 38.912 38.487 0.055 0.000 1.113 240 N HN 0.223 nan 8.380 nan 0.000 0.447 241 Q N 1.783 121.614 119.800 0.051 0.000 2.368 241 Q HA 0.293 4.634 4.340 0.001 0.000 0.237 241 Q C -2.112 173.936 176.000 0.081 0.000 0.987 241 Q CA -1.266 54.569 55.803 0.053 0.000 0.896 241 Q CB 0.846 29.609 28.738 0.042 0.000 1.241 241 Q HN 0.452 nan 8.270 nan 0.000 0.485 242 P HA 0.165 nan 4.420 nan 0.000 0.279 242 P C -0.958 176.434 177.300 0.153 0.000 1.252 242 P CA -0.440 62.730 63.100 0.117 0.000 0.811 242 P CB 0.490 32.242 31.700 0.087 0.000 1.035 243 F N 4.261 124.254 119.950 0.071 0.000 2.421 243 F HA 0.308 4.835 4.527 0.001 0.000 0.358 243 F C -1.789 174.050 175.800 0.065 0.000 1.115 243 F CA -2.499 55.555 58.000 0.089 0.000 1.160 243 F CB 0.384 39.459 39.000 0.125 0.000 1.123 243 F HN 0.149 nan 8.300 nan 0.000 0.508 244 P HA -0.023 nan 4.420 nan 0.000 0.266 244 P C -1.135 175.969 177.300 -0.327 0.000 1.215 244 P CA -0.208 62.696 63.100 -0.326 0.000 0.763 244 P CB 0.356 31.870 31.700 -0.311 0.000 0.806 245 K N 2.636 123.004 120.400 -0.053 0.000 2.489 245 K HA 0.166 4.486 4.320 0.001 0.000 0.278 245 K C -0.285 176.319 176.600 0.006 0.000 1.000 245 K CA -0.116 56.204 56.287 0.055 0.000 1.012 245 K CB 0.334 32.882 32.500 0.080 0.000 0.903 245 K HN 0.135 nan 8.250 nan 0.000 0.485 246 K N 1.189 121.625 120.400 0.060 0.000 2.203 246 K HA 0.602 4.923 4.320 0.001 0.000 0.251 246 K C -1.365 175.223 176.600 -0.020 0.000 0.944 246 K CA -0.573 55.717 56.287 0.005 0.000 0.829 246 K CB 2.244 34.757 32.500 0.022 0.000 1.125 246 K HN 0.790 nan 8.250 nan 0.000 0.430 247 A N 1.674 124.459 122.820 -0.057 0.000 2.466 247 A HA 0.590 4.910 4.320 0.001 0.000 0.284 247 A C -1.031 176.466 177.584 -0.145 0.000 1.049 247 A CA -0.640 51.321 52.037 -0.126 0.000 0.760 247 A CB 0.523 19.537 19.000 0.023 0.000 1.274 247 A HN 0.508 nan 8.150 nan 0.000 0.412 248 V N -1.248 118.522 119.914 -0.239 0.000 3.145 248 V HA 0.820 4.941 4.120 0.001 0.000 0.311 248 V C -1.084 174.910 176.094 -0.167 0.000 1.238 248 V CA -1.050 61.159 62.300 -0.151 0.000 1.066 248 V CB 1.921 33.688 31.823 -0.093 0.000 1.144 248 V HN 0.612 nan 8.190 nan 0.000 0.465 249 D N 1.558 121.937 120.400 -0.035 0.000 2.217 249 D HA 0.528 5.169 4.640 0.001 0.000 0.243 249 D C -0.417 175.965 176.300 0.137 0.000 1.054 249 D CA 0.025 54.042 54.000 0.029 0.000 0.838 249 D CB 1.900 42.744 40.800 0.074 0.000 1.162 249 D HN 0.928 nan 8.370 nan 0.000 0.472 250 V N 1.054 121.042 119.914 0.124 0.000 2.370 250 V HA 0.527 4.648 4.120 0.001 0.000 0.283 250 V C -0.479 175.803 176.094 0.313 0.000 1.023 250 V CA -0.849 61.572 62.300 0.201 0.000 0.857 250 V CB 0.838 32.670 31.823 0.015 0.000 0.985 250 V HN 0.305 nan 8.190 nan 0.000 0.443 251 F N 6.650 126.705 119.950 0.175 0.000 2.389 251 F HA 0.758 5.286 4.527 0.001 0.000 0.337 251 F C -0.931 174.892 175.800 0.039 0.000 1.112 251 F CA -0.922 57.169 58.000 0.152 0.000 1.192 251 F CB 1.025 40.076 39.000 0.084 0.000 1.185 251 F HN 0.529 nan 8.300 nan 0.000 0.552 252 F N 6.113 125.389 119.950 -1.123 0.000 2.539 252 F HA 0.444 4.971 4.527 0.001 0.000 0.318 252 F C -2.135 172.710 175.800 -1.593 0.000 1.135 252 F CA -2.218 55.183 58.000 -0.999 0.000 0.915 252 F CB 1.420 40.122 39.000 -0.496 0.000 1.176 252 F HN 0.336 nan 8.300 nan 0.000 0.440 253 P HA 0.212 nan 4.420 nan 0.000 0.275 253 P C -2.432 174.746 177.300 -0.202 0.000 1.266 253 P CA -1.374 61.452 63.100 -0.457 0.000 0.793 253 P CB 0.734 32.418 31.700 -0.027 0.000 1.074 254 P HA -0.048 nan 4.420 nan 0.000 0.233 254 P C 0.900 178.185 177.300 -0.024 0.000 1.167 254 P CA 1.194 64.281 63.100 -0.021 0.000 0.770 254 P CB 0.099 31.813 31.700 0.022 0.000 0.837 255 E N 0.328 120.519 120.200 -0.015 0.000 2.086 255 E HA 0.061 4.412 4.350 0.001 0.000 0.190 255 E C 1.117 177.690 176.600 -0.045 0.000 0.975 255 E CA 0.473 56.869 56.400 -0.008 0.000 0.813 255 E CB -0.982 28.739 29.700 0.036 0.000 0.768 255 E HN 0.065 nan 8.360 nan 0.000 0.457 256 A N 1.413 124.190 122.820 -0.073 0.000 2.410 256 A HA 0.138 4.459 4.320 0.001 0.000 0.292 256 A C 0.292 177.828 177.584 -0.080 0.000 1.232 256 A CA -0.123 51.847 52.037 -0.112 0.000 0.893 256 A CB -0.006 18.857 19.000 -0.228 0.000 1.131 256 A HN 0.158 nan 8.150 nan 0.000 0.530 257 Q N 1.775 121.516 119.800 -0.098 0.000 2.431 257 Q HA 0.057 4.398 4.340 0.001 0.000 0.244 257 Q C 0.573 176.530 176.000 -0.072 0.000 0.880 257 Q CA 0.914 56.670 55.803 -0.078 0.000 0.954 257 Q CB 0.266 28.963 28.738 -0.067 0.000 1.105 257 Q HN 0.820 nan 8.270 nan 0.000 0.558 258 N N 0.427 119.081 118.700 -0.076 0.000 2.187 258 N HA 0.043 4.784 4.740 0.001 0.000 0.212 258 N C -0.916 174.677 175.510 0.139 0.000 1.152 258 N CA -0.079 52.981 53.050 0.017 0.000 0.872 258 N CB 0.635 39.144 38.487 0.036 0.000 1.025 258 N HN 0.101 nan 8.380 nan 0.000 0.514 259 D N 0.632 121.063 120.400 0.052 0.000 2.399 259 D HA 0.159 4.800 4.640 0.001 0.000 0.241 259 D C -0.436 176.060 176.300 0.326 0.000 1.133 259 D CA 0.063 54.196 54.000 0.222 0.000 0.890 259 D CB 0.439 41.354 40.800 0.192 0.000 1.201 259 D HN 0.118 nan 8.370 nan 0.000 0.432 260 F N -0.503 119.611 119.950 0.274 0.000 2.754 260 F HA 0.709 5.237 4.527 0.001 0.000 0.320 260 F C -2.904 172.977 175.800 0.136 0.000 1.156 260 F CA -2.735 55.267 58.000 0.002 0.000 0.950 260 F CB 0.321 38.990 39.000 -0.552 0.000 1.388 260 F HN 0.063 nan 8.300 nan 0.000 0.485 261 P HA 0.280 nan 4.420 nan 0.000 0.275 261 P C -0.076 177.397 177.300 0.288 0.000 1.227 261 P CA 0.018 63.273 63.100 0.258 0.000 0.781 261 P CB 1.790 33.658 31.700 0.280 0.000 0.906 262 V N 1.664 121.688 119.914 0.182 0.000 3.426 262 V HA 0.585 4.705 4.120 0.001 0.000 0.271 262 V C -0.221 175.981 176.094 0.180 0.000 1.530 262 V CA 0.616 63.027 62.300 0.185 0.000 1.021 262 V CB 0.257 32.101 31.823 0.036 0.000 0.824 262 V HN 0.669 nan 8.190 nan 0.000 0.432 263 A N 0.718 123.638 122.820 0.167 0.000 2.594 263 A HA 0.808 5.129 4.320 0.001 0.000 0.296 263 A C -1.253 176.429 177.584 0.164 0.000 1.061 263 A CA -0.290 51.845 52.037 0.163 0.000 0.689 263 A CB 1.793 20.876 19.000 0.138 0.000 1.280 263 A HN 0.203 nan 8.150 nan 0.000 0.406 264 M N 1.283 120.978 119.600 0.158 0.000 2.378 264 M HA 0.648 5.129 4.480 0.001 0.000 0.289 264 M C -1.834 174.564 176.300 0.164 0.000 1.136 264 M CA -0.402 54.993 55.300 0.160 0.000 0.917 264 M CB 2.251 34.918 32.600 0.110 0.000 1.669 264 M HN 0.810 nan 8.290 nan 0.000 0.461 265 Q N 3.408 123.333 119.800 0.209 0.000 2.315 265 Q HA 0.678 5.019 4.340 0.001 0.000 0.273 265 Q C -1.824 174.343 176.000 0.278 0.000 1.053 265 Q CA -0.241 55.681 55.803 0.199 0.000 0.817 265 Q CB 2.680 31.500 28.738 0.137 0.000 1.326 265 Q HN 0.758 nan 8.270 nan 0.000 0.423 266 I N 1.005 121.706 120.570 0.219 0.000 2.433 266 I HA 0.445 4.616 4.170 0.001 0.000 0.292 266 I C -0.400 175.852 176.117 0.225 0.000 1.001 266 I CA -0.898 60.533 61.300 0.218 0.000 1.119 266 I CB 2.178 40.253 38.000 0.124 0.000 1.289 266 I HN 0.459 nan 8.210 nan 0.000 0.438 267 S N 4.149 120.018 115.700 0.283 0.000 2.404 267 S HA 0.209 4.680 4.470 0.001 0.000 0.309 267 S C 0.747 175.441 174.600 0.156 0.000 1.076 267 S CA -0.454 57.896 58.200 0.250 0.000 1.095 267 S CB 0.670 64.125 63.200 0.425 0.000 0.972 267 S HN 0.633 nan 8.310 nan 0.000 0.484 268 E N 3.191 123.456 120.200 0.109 0.000 2.333 268 E HA -0.054 4.297 4.350 0.001 0.000 0.198 268 E C 1.785 178.412 176.600 0.046 0.000 1.007 268 E CA 0.664 57.121 56.400 0.095 0.000 0.845 268 E CB 0.119 29.872 29.700 0.089 0.000 0.766 268 E HN 0.465 nan 8.360 nan 0.000 0.507 269 K N -0.282 120.097 120.400 -0.035 0.000 2.057 269 K HA -0.119 4.202 4.320 0.001 0.000 0.206 269 K C 0.835 177.199 176.600 -0.393 0.000 1.050 269 K CA 1.573 57.710 56.287 -0.251 0.000 0.935 269 K CB -0.008 32.257 32.500 -0.392 0.000 0.715 269 K HN 0.365 nan 8.250 nan 0.000 0.439 270 H N -0.718 118.419 119.070 0.110 0.000 2.986 270 H HA 0.188 4.745 4.556 0.001 0.000 0.267 270 H C -0.719 174.660 175.328 0.084 0.000 1.072 270 H CA -0.215 55.889 56.048 0.094 0.000 1.202 270 H CB 0.763 30.578 29.762 0.088 0.000 1.535 270 H HN 0.105 nan 8.280 nan 0.000 0.522 271 D N 1.332 121.823 120.400 0.152 0.000 2.956 271 D HA -0.128 4.513 4.640 0.001 0.000 0.240 271 D C -0.938 175.386 176.300 0.040 0.000 1.141 271 D CA 0.515 54.566 54.000 0.085 0.000 0.820 271 D CB -0.990 39.876 40.800 0.109 0.000 0.988 271 D HN 0.140 nan 8.370 nan 0.000 0.417 272 V N 0.138 120.087 119.914 0.058 0.000 2.971 272 V HA 0.495 4.616 4.120 0.001 0.000 0.309 272 V C 0.360 176.433 176.094 -0.034 0.000 1.130 272 V CA -0.975 61.304 62.300 -0.034 0.000 0.964 272 V CB 2.722 34.473 31.823 -0.120 0.000 1.029 272 V HN 0.026 nan 8.190 nan 0.000 0.427 273 V N 3.399 123.278 119.914 -0.059 0.000 2.427 273 V HA 0.521 4.642 4.120 0.001 0.000 0.286 273 V C -0.805 175.271 176.094 -0.030 0.000 1.034 273 V CA -0.387 61.937 62.300 0.039 0.000 0.893 273 V CB 1.299 33.164 31.823 0.071 0.000 0.982 273 V HN 0.653 nan 8.190 nan 0.000 0.452 274 F N 5.275 125.306 119.950 0.135 0.000 2.388 274 F HA 0.646 5.174 4.527 0.001 0.000 0.358 274 F C -0.186 175.708 175.800 0.156 0.000 1.122 274 F CA -0.473 57.612 58.000 0.142 0.000 1.056 274 F CB 1.611 40.678 39.000 0.111 0.000 1.155 274 F HN 0.338 nan 8.300 nan 0.000 0.461 275 L N 5.538 126.968 121.223 0.344 0.000 2.346 275 L HA 0.734 5.075 4.340 0.001 0.000 0.276 275 L C -1.223 175.832 176.870 0.307 0.000 1.006 275 L CA -0.441 54.568 54.840 0.282 0.000 0.817 275 L CB 1.348 43.556 42.059 0.248 0.000 1.272 275 L HN 0.493 nan 8.230 nan 0.000 0.421 276 I N 3.697 124.409 120.570 0.237 0.000 2.499 276 I HA 0.348 4.519 4.170 0.001 0.000 0.288 276 I C 0.076 176.288 176.117 0.158 0.000 1.048 276 I CA -0.605 60.822 61.300 0.211 0.000 1.062 276 I CB 2.379 40.474 38.000 0.158 0.000 1.238 276 I HN 0.751 nan 8.210 nan 0.000 0.426 277 T N 1.625 116.278 114.554 0.165 0.000 2.816 277 T HA 0.201 4.552 4.350 0.001 0.000 0.282 277 T C 1.062 175.748 174.700 -0.024 0.000 0.993 277 T CA -0.421 61.730 62.100 0.085 0.000 0.994 277 T CB 1.681 70.595 68.868 0.076 0.000 1.025 277 T HN 0.667 nan 8.240 nan 0.000 0.529 278 K N 0.568 120.808 120.400 -0.266 0.000 2.034 278 K HA -0.169 4.152 4.320 0.001 0.000 0.214 278 K C 0.682 177.003 176.600 -0.465 0.000 1.051 278 K CA 1.806 57.771 56.287 -0.537 0.000 0.931 278 K CB -0.887 30.938 32.500 -1.126 0.000 0.715 278 K HN 0.760 nan 8.250 nan 0.000 0.446 279 Y N 0.280 120.558 120.300 -0.036 0.000 2.955 279 Y HA 0.302 4.853 4.550 0.001 0.000 0.386 279 Y C 1.059 177.033 175.900 0.122 0.000 1.069 279 Y CA -0.124 58.021 58.100 0.075 0.000 1.764 279 Y CB 0.089 38.622 38.460 0.122 0.000 1.646 279 Y HN 0.373 nan 8.280 nan 0.000 0.486 280 G N -1.199 107.672 108.800 0.119 0.000 2.153 280 G HA2 -0.335 3.626 3.960 0.001 0.000 0.252 280 G HA3 -0.335 3.626 3.960 0.001 0.000 0.252 280 G C -0.225 174.662 174.900 -0.023 0.000 0.994 280 G CA -0.271 44.851 45.100 0.036 0.000 0.698 280 G HN 0.373 nan 8.290 nan 0.000 0.521 281 Y N -1.131 119.168 120.300 -0.001 0.000 2.326 281 Y HA 0.724 5.275 4.550 0.001 0.000 0.324 281 Y C 0.564 176.465 175.900 0.001 0.000 1.291 281 Y CA -1.151 56.914 58.100 -0.058 0.000 1.348 281 Y CB 1.141 39.514 38.460 -0.145 0.000 1.294 281 Y HN 0.213 nan 8.280 nan 0.000 0.525 282 I N 1.725 122.334 120.570 0.066 0.000 2.534 282 I HA 0.361 4.532 4.170 0.001 0.000 0.288 282 I C -1.283 174.806 176.117 -0.047 0.000 1.077 282 I CA -0.458 60.920 61.300 0.131 0.000 1.051 282 I CB 0.927 39.035 38.000 0.179 0.000 1.234 282 I HN 0.600 nan 8.210 nan 0.000 0.425 283 H N 7.170 126.286 119.070 0.076 0.000 2.622 283 H HA 0.521 5.078 4.556 0.001 0.000 0.363 283 H C -1.231 174.014 175.328 -0.139 0.000 1.151 283 H CA -0.986 55.011 56.048 -0.086 0.000 1.184 283 H CB 2.754 32.460 29.762 -0.093 0.000 1.643 283 H HN 0.362 nan 8.280 nan 0.000 0.531 284 L N 3.858 124.959 121.223 -0.204 0.000 2.342 284 L HA 0.306 4.647 4.340 0.001 0.000 0.276 284 L C -1.378 175.278 176.870 -0.356 0.000 0.997 284 L CA -0.564 54.117 54.840 -0.265 0.000 0.838 284 L CB 0.593 42.521 42.059 -0.219 0.000 1.224 284 L HN 0.583 nan 8.230 nan 0.000 0.416 285 Y N 0.979 121.225 120.300 -0.090 0.000 2.487 285 Y HA 0.274 4.825 4.550 0.001 0.000 0.337 285 Y C 0.224 176.069 175.900 -0.092 0.000 1.076 285 Y CA -0.949 57.111 58.100 -0.066 0.000 1.115 285 Y CB 1.388 39.808 38.460 -0.067 0.000 1.235 285 Y HN 0.490 nan 8.280 nan 0.000 0.468 286 D N 1.479 121.938 120.400 0.098 0.000 2.348 286 D HA 0.042 4.683 4.640 0.001 0.000 0.253 286 D C 0.663 176.963 176.300 -0.001 0.000 1.161 286 D CA -0.124 53.894 54.000 0.031 0.000 0.876 286 D CB 1.185 42.009 40.800 0.040 0.000 1.160 286 D HN 0.529 nan 8.370 nan 0.000 0.459 287 L N 4.165 125.341 121.223 -0.078 0.000 2.046 287 L HA -0.074 4.267 4.340 0.001 0.000 0.208 287 L C 1.920 178.660 176.870 -0.216 0.000 1.077 287 L CA 1.943 56.673 54.840 -0.184 0.000 0.747 287 L CB -0.623 41.256 42.059 -0.299 0.000 0.896 287 L HN 0.734 nan 8.230 nan 0.000 0.432 288 E N -1.182 118.882 120.200 -0.227 0.000 2.031 288 E HA -0.237 4.114 4.350 0.001 0.000 0.193 288 E C 1.878 178.551 176.600 0.123 0.000 0.994 288 E CA 2.076 58.446 56.400 -0.049 0.000 0.800 288 E CB -0.143 29.607 29.700 0.084 0.000 0.752 288 E HN 0.659 nan 8.360 nan 0.000 0.447 289 T N -4.004 110.587 114.554 0.061 0.000 3.037 289 T HA 0.266 4.617 4.350 0.001 0.000 0.252 289 T C 1.454 176.174 174.700 0.033 0.000 1.073 289 T CA 0.670 62.796 62.100 0.043 0.000 1.091 289 T CB 0.578 69.469 68.868 0.039 0.000 0.935 289 T HN 0.411 nan 8.240 nan 0.000 0.488 290 G N 1.240 110.063 108.800 0.039 0.000 2.136 290 G HA2 -0.232 3.729 3.960 0.001 0.000 0.242 290 G HA3 -0.232 3.729 3.960 0.001 0.000 0.242 290 G C 0.135 175.110 174.900 0.124 0.000 0.989 290 G CA 0.184 45.302 45.100 0.030 0.000 0.682 290 G HN 0.706 nan 8.290 nan 0.000 0.522 291 T N 0.769 115.390 114.554 0.111 0.000 2.817 291 T HA 0.301 4.651 4.350 0.001 0.000 0.295 291 T C 0.975 175.762 174.700 0.144 0.000 0.958 291 T CA 0.514 62.680 62.100 0.109 0.000 1.157 291 T CB 0.878 69.781 68.868 0.059 0.000 0.898 291 T HN 0.740 nan 8.240 nan 0.000 0.536 292 C N 6.380 125.767 119.300 0.146 0.000 2.657 292 C HA 0.245 4.706 4.460 0.001 0.000 0.404 292 C C 1.829 176.763 174.990 -0.095 0.000 1.369 292 C CA -0.654 58.290 59.018 -0.124 0.000 1.665 292 C CB -2.277 25.366 27.740 -0.162 0.000 2.453 292 C HN 0.918 nan 8.230 nan 0.000 0.599 293 I N 4.340 124.845 120.570 -0.108 0.000 3.462 293 I HA 0.429 4.600 4.170 0.001 0.000 0.290 293 I C -0.074 176.114 176.117 0.118 0.000 1.236 293 I CA 0.391 61.702 61.300 0.018 0.000 1.418 293 I CB -0.387 37.629 38.000 0.027 0.000 1.102 293 I HN 0.698 nan 8.210 nan 0.000 0.441 294 Y N 1.460 121.672 120.300 -0.147 0.000 2.573 294 Y HA 0.581 5.132 4.550 0.001 0.000 0.328 294 Y C -1.554 174.229 175.900 -0.195 0.000 1.170 294 Y CA -1.509 56.514 58.100 -0.128 0.000 1.078 294 Y CB 1.268 39.618 38.460 -0.182 0.000 1.341 294 Y HN 0.260 nan 8.280 nan 0.000 0.459 295 M N 5.257 124.267 119.600 -0.982 0.000 2.365 295 M HA 0.698 5.179 4.480 0.001 0.000 0.287 295 M C -2.288 173.496 176.300 -0.860 0.000 1.154 295 M CA -0.128 54.703 55.300 -0.781 0.000 0.941 295 M CB 2.392 34.671 32.600 -0.534 0.000 1.704 295 M HN 0.780 nan 8.290 nan 0.000 0.479 296 N N 0.876 119.270 118.700 -0.510 0.000 3.322 296 N HA 0.448 5.189 4.740 0.001 0.000 0.233 296 N C -1.957 173.425 175.510 -0.214 0.000 1.399 296 N CA -0.932 51.926 53.050 -0.320 0.000 0.894 296 N CB 1.667 39.980 38.487 -0.290 0.000 1.440 296 N HN 0.850 nan 8.380 nan 0.000 0.503 297 R N 1.314 121.646 120.500 -0.279 0.000 2.491 297 R HA 0.353 4.694 4.340 0.001 0.000 0.283 297 R C 0.686 176.837 176.300 -0.248 0.000 1.072 297 R CA 0.367 56.208 56.100 -0.430 0.000 1.048 297 R CB 0.183 30.189 30.300 -0.489 0.000 0.983 297 R HN 0.595 nan 8.270 nan 0.000 0.450 298 I N -1.390 119.064 120.570 -0.193 0.000 4.655 298 I HA 0.380 4.551 4.170 0.001 0.000 0.333 298 I C -0.269 175.837 176.117 -0.018 0.000 1.312 298 I CA -0.257 60.984 61.300 -0.099 0.000 1.270 298 I CB 0.954 39.047 38.000 0.154 0.000 1.318 298 I HN 0.371 nan 8.210 nan 0.000 0.456 299 S N 0.118 115.780 115.700 -0.064 0.000 2.543 299 S HA 0.644 5.114 4.470 0.001 0.000 0.271 299 S C 0.347 174.910 174.600 -0.061 0.000 1.148 299 S CA 0.004 58.196 58.200 -0.014 0.000 0.914 299 S CB 1.620 64.847 63.200 0.045 0.000 1.096 299 S HN 0.329 nan 8.310 nan 0.000 0.471 300 G N 1.842 110.623 108.800 -0.032 0.000 2.796 300 G HA2 0.215 4.176 3.960 0.001 0.000 0.210 300 G HA3 0.215 4.176 3.960 0.001 0.000 0.210 300 G C 0.179 175.101 174.900 0.036 0.000 1.146 300 G CA 0.045 45.133 45.100 -0.021 0.000 0.779 300 G HN 0.580 nan 8.290 nan 0.000 0.535 301 E N 1.492 121.717 120.200 0.042 0.000 2.179 301 E HA 0.445 4.796 4.350 0.001 0.000 0.275 301 E C 0.427 177.056 176.600 0.048 0.000 0.945 301 E CA -0.619 55.819 56.400 0.062 0.000 0.792 301 E CB 0.850 30.591 29.700 0.068 0.000 1.125 301 E HN 0.092 nan 8.360 nan 0.000 0.397 302 T N 1.765 116.329 114.554 0.017 0.000 2.937 302 T HA 0.198 4.549 4.350 0.001 0.000 0.316 302 T C 0.728 175.444 174.700 0.026 0.000 1.079 302 T CA -0.206 61.843 62.100 -0.085 0.000 1.131 302 T CB 0.110 68.815 68.868 -0.272 0.000 1.000 302 T HN 0.395 nan 8.240 nan 0.000 0.549 303 I N 3.384 123.946 120.570 -0.014 0.000 2.392 303 I HA 0.366 4.536 4.170 0.001 0.000 0.295 303 I C 0.427 176.600 176.117 0.094 0.000 0.985 303 I CA -0.895 60.418 61.300 0.023 0.000 1.221 303 I CB 1.362 39.351 38.000 -0.017 0.000 1.366 303 I HN 0.919 nan 8.210 nan 0.000 0.467 304 F N 5.378 125.358 119.950 0.050 0.000 2.781 304 F HA 0.644 5.172 4.527 0.001 0.000 0.322 304 F C -0.570 175.368 175.800 0.230 0.000 1.108 304 F CA -0.582 57.486 58.000 0.114 0.000 1.179 304 F CB 0.388 39.482 39.000 0.157 0.000 1.072 304 F HN 0.150 nan 8.300 nan 0.000 0.545 305 V N 1.262 121.053 119.914 -0.204 0.000 2.971 305 V HA 0.608 4.729 4.120 0.001 0.000 0.281 305 V C -1.040 174.988 176.094 -0.109 0.000 1.470 305 V CA 0.434 62.686 62.300 -0.079 0.000 0.966 305 V CB 1.643 33.383 31.823 -0.138 0.000 1.156 305 V HN 0.570 nan 8.190 nan 0.000 0.441 306 T N 3.028 117.588 114.554 0.010 0.000 2.716 306 T HA 1.041 5.392 4.350 0.001 0.000 0.286 306 T C -0.308 174.413 174.700 0.036 0.000 1.052 306 T CA -0.416 61.682 62.100 -0.003 0.000 1.024 306 T CB 1.852 70.730 68.868 0.017 0.000 1.349 306 T HN 2.423 nan 8.240 nan 0.000 0.525 307 A N 0.824 123.658 122.820 0.023 0.000 2.597 307 A HA 0.813 5.133 4.320 0.001 0.000 0.292 307 A C -3.237 174.364 177.584 0.028 0.000 1.057 307 A CA -1.517 50.545 52.037 0.042 0.000 0.674 307 A CB 0.888 19.906 19.000 0.029 0.000 1.278 307 A HN 0.736 nan 8.150 nan 0.000 0.416 308 P HA 0.171 nan 4.420 nan 0.000 0.271 308 P C -0.906 176.401 177.300 0.012 0.000 1.216 308 P CA 0.446 63.558 63.100 0.019 0.000 0.776 308 P CB 0.439 32.157 31.700 0.030 0.000 0.881 309 H N 2.538 121.539 119.070 -0.115 0.000 2.818 309 H HA 0.133 4.690 4.556 0.001 0.000 0.269 309 H C 1.261 176.530 175.328 -0.097 0.000 1.277 309 H CA -0.009 55.959 56.048 -0.134 0.000 1.290 309 H CB 0.013 29.672 29.762 -0.171 0.000 1.479 309 H HN 0.381 nan 8.280 nan 0.000 0.507 310 E N 3.708 123.694 120.200 -0.357 0.000 2.026 310 E HA -0.299 4.051 4.350 0.001 0.000 0.206 310 E C 1.976 178.369 176.600 -0.345 0.000 1.028 310 E CA 1.747 57.977 56.400 -0.282 0.000 0.845 310 E CB -0.184 29.396 29.700 -0.199 0.000 0.772 310 E HN 0.821 nan 8.360 nan 0.000 0.462 311 A N 0.256 122.797 122.820 -0.464 0.000 1.985 311 A HA -0.301 4.020 4.320 0.001 0.000 0.223 311 A C 2.316 179.782 177.584 -0.197 0.000 1.189 311 A CA 3.452 55.306 52.037 -0.305 0.000 0.658 311 A CB -0.949 17.882 19.000 -0.281 0.000 0.820 311 A HN 0.537 nan 8.150 nan 0.000 0.464 312 T N -6.721 107.685 114.554 -0.248 0.000 2.969 312 T HA 0.498 4.849 4.350 0.001 0.000 0.250 312 T C 0.943 175.668 174.700 0.042 0.000 1.021 312 T CA 1.227 63.318 62.100 -0.015 0.000 1.003 312 T CB 0.290 69.233 68.868 0.126 0.000 1.040 312 T HN 2.073 nan 8.240 nan 0.000 0.492 313 A N -0.039 122.758 122.820 -0.038 0.000 3.157 313 A HA 0.144 4.464 4.320 0.001 0.000 0.237 313 A C 0.922 178.520 177.584 0.023 0.000 1.330 313 A CA 0.891 52.947 52.037 0.030 0.000 0.992 313 A CB -2.173 16.896 19.000 0.114 0.000 1.131 313 A HN 1.241 nan 8.150 nan 0.000 0.781 314 G N -1.256 107.480 108.800 -0.106 0.000 2.857 314 G HA2 0.710 4.671 3.960 0.001 0.000 0.217 314 G HA3 0.710 4.671 3.960 0.001 0.000 0.217 314 G C -0.082 174.528 174.900 -0.483 0.000 1.357 314 G CA -0.130 44.643 45.100 -0.545 0.000 1.033 314 G HN 1.369 nan 8.290 nan 0.000 0.571 315 I N -0.750 119.462 120.570 -0.596 0.000 2.569 315 I HA 0.745 4.916 4.170 0.001 0.000 0.296 315 I C -1.415 174.590 176.117 -0.185 0.000 1.028 315 I CA -1.244 59.890 61.300 -0.276 0.000 1.082 315 I CB 2.015 39.883 38.000 -0.220 0.000 1.264 315 I HN 0.392 nan 8.210 nan 0.000 0.429 316 I N 6.481 126.982 120.570 -0.114 0.000 2.498 316 I HA 0.831 5.002 4.170 0.001 0.000 0.290 316 I C -0.431 175.616 176.117 -0.117 0.000 1.032 316 I CA -0.056 61.145 61.300 -0.165 0.000 1.073 316 I CB 1.609 39.480 38.000 -0.215 0.000 1.251 316 I HN 0.716 nan 8.210 nan 0.000 0.426 317 G N 5.480 114.204 108.800 -0.126 0.000 2.788 317 G HA2 0.696 4.657 3.960 0.001 0.000 0.293 317 G HA3 0.696 4.657 3.960 0.001 0.000 0.293 317 G C -1.987 172.823 174.900 -0.149 0.000 1.392 317 G CA -0.578 44.444 45.100 -0.130 0.000 0.810 317 G HN 0.461 nan 8.290 nan 0.000 0.508 318 V N 0.988 120.759 119.914 -0.237 0.000 2.709 318 V HA 0.496 4.616 4.120 0.001 0.000 0.308 318 V C -0.721 175.224 176.094 -0.250 0.000 1.062 318 V CA -1.006 61.152 62.300 -0.236 0.000 0.901 318 V CB 1.814 33.450 31.823 -0.311 0.000 1.003 318 V HN 1.022 nan 8.190 nan 0.000 0.425 319 N N 3.297 121.988 118.700 -0.014 0.000 2.483 319 N HA 0.431 5.171 4.740 0.001 0.000 0.285 319 N C 0.582 176.283 175.510 0.319 0.000 1.210 319 N CA -1.045 52.081 53.050 0.126 0.000 0.931 319 N CB 0.794 39.335 38.487 0.090 0.000 1.220 319 N HN 0.303 nan 8.380 nan 0.000 0.542 320 R N -0.189 120.512 120.500 0.336 0.000 2.303 320 R HA -0.102 4.238 4.340 0.001 0.000 0.225 320 R C 1.055 177.453 176.300 0.163 0.000 1.114 320 R CA 0.813 57.062 56.100 0.248 0.000 1.007 320 R CB -0.318 30.052 30.300 0.116 0.000 0.861 320 R HN 0.702 nan 8.270 nan 0.000 0.471 321 K N -0.550 119.935 120.400 0.142 0.000 2.186 321 K HA -0.052 4.269 4.320 0.001 0.000 0.202 321 K C 0.970 177.631 176.600 0.101 0.000 1.052 321 K CA 1.128 57.474 56.287 0.099 0.000 0.965 321 K CB 0.349 32.895 32.500 0.077 0.000 0.746 321 K HN 0.293 nan 8.250 nan 0.000 0.457 322 G N 0.724 109.599 108.800 0.124 0.000 2.229 322 G HA2 -0.239 3.721 3.960 0.001 0.000 0.189 322 G HA3 -0.239 3.721 3.960 0.001 0.000 0.189 322 G C -0.260 174.681 174.900 0.069 0.000 1.000 322 G CA -0.018 45.145 45.100 0.106 0.000 0.663 322 G HN 0.396 nan 8.290 nan 0.000 0.493 323 Q N 0.920 120.757 119.800 0.062 0.000 2.313 323 Q HA 0.481 4.822 4.340 0.001 0.000 0.266 323 Q C -0.296 175.712 176.000 0.012 0.000 0.989 323 Q CA -0.142 55.685 55.803 0.039 0.000 0.890 323 Q CB 1.082 29.852 28.738 0.053 0.000 1.200 323 Q HN 0.234 nan 8.270 nan 0.000 0.396 324 V N 6.580 126.493 119.914 -0.002 0.000 2.288 324 V HA 0.188 4.309 4.120 0.001 0.000 0.266 324 V C -0.326 175.748 176.094 -0.034 0.000 1.048 324 V CA -0.653 61.634 62.300 -0.022 0.000 0.842 324 V CB 0.320 32.137 31.823 -0.011 0.000 1.064 324 V HN 0.569 nan 8.190 nan 0.000 0.472 325 L N 3.491 124.651 121.223 -0.105 0.000 2.365 325 L HA 0.918 5.259 4.340 0.001 0.000 0.267 325 L C 0.286 176.999 176.870 -0.261 0.000 1.033 325 L CA -0.818 53.839 54.840 -0.306 0.000 0.802 325 L CB 0.990 42.835 42.059 -0.356 0.000 1.267 325 L HN 0.681 nan 8.230 nan 0.000 0.457 326 S N -0.741 114.678 115.700 -0.469 0.000 2.562 326 S HA 0.790 5.261 4.470 0.001 0.000 0.274 326 S C -1.125 173.259 174.600 -0.360 0.000 1.160 326 S CA -0.677 57.322 58.200 -0.336 0.000 0.933 326 S CB 1.375 64.414 63.200 -0.270 0.000 1.100 326 S HN 0.393 nan 8.310 nan 0.000 0.468 327 V N 2.079 121.857 119.914 -0.227 0.000 2.628 327 V HA 0.872 4.993 4.120 0.001 0.000 0.306 327 V C 0.511 176.501 176.094 -0.173 0.000 1.045 327 V CA -0.519 61.723 62.300 -0.095 0.000 0.905 327 V CB 0.855 32.735 31.823 0.096 0.000 0.997 327 V HN 1.520 nan 8.190 nan 0.000 0.436 328 C N 1.870 121.168 119.300 -0.004 0.000 3.323 328 C HA 0.831 5.292 4.460 0.001 0.000 0.324 328 C C -0.339 174.773 174.990 0.204 0.000 1.428 328 C CA -0.843 58.205 59.018 0.050 0.000 1.368 328 C CB 1.174 28.933 27.740 0.032 0.000 1.731 328 C HN 0.604 nan 8.230 nan 0.000 0.455 329 V N 2.045 122.075 119.914 0.194 0.000 2.572 329 V HA 0.256 4.377 4.120 0.001 0.000 0.291 329 V C 0.538 176.553 176.094 -0.131 0.000 1.039 329 V CA 0.820 63.073 62.300 -0.078 0.000 1.055 329 V CB 1.020 32.546 31.823 -0.495 0.000 0.969 329 V HN 0.939 nan 8.190 nan 0.000 0.482 330 E N 4.014 124.132 120.200 -0.138 0.000 1.856 330 E HA 0.100 4.451 4.350 0.001 0.000 0.263 330 E C 1.143 177.683 176.600 -0.100 0.000 1.137 330 E CA 0.173 56.510 56.400 -0.106 0.000 1.007 330 E CB 0.035 29.660 29.700 -0.124 0.000 1.117 330 E HN 0.648 nan 8.360 nan 0.000 0.438 331 E N 2.517 122.667 120.200 -0.083 0.000 2.208 331 E HA -0.259 4.092 4.350 0.001 0.000 0.202 331 E C 0.915 177.510 176.600 -0.008 0.000 1.014 331 E CA 1.201 57.579 56.400 -0.036 0.000 0.819 331 E CB 0.233 29.960 29.700 0.046 0.000 0.735 331 E HN 0.552 nan 8.360 nan 0.000 0.469 332 E N 0.399 120.592 120.200 -0.012 0.000 2.153 332 E HA -0.151 4.199 4.350 0.001 0.000 0.194 332 E C 0.946 177.545 176.600 -0.001 0.000 0.988 332 E CA 1.209 57.607 56.400 -0.003 0.000 0.811 332 E CB -0.177 29.519 29.700 -0.006 0.000 0.746 332 E HN 0.509 nan 8.360 nan 0.000 0.466 333 N N -0.882 117.809 118.700 -0.015 0.000 2.232 333 N HA 0.069 4.809 4.740 0.001 0.000 0.240 333 N C 1.030 176.556 175.510 0.026 0.000 1.307 333 N CA -0.106 52.950 53.050 0.009 0.000 0.859 333 N CB -0.063 38.432 38.487 0.015 0.000 1.260 333 N HN -0.078 nan 8.380 nan 0.000 0.501 334 I N 0.456 121.020 120.570 -0.011 0.000 2.361 334 I HA -0.099 4.071 4.170 0.001 0.000 0.251 334 I C 1.161 177.318 176.117 0.068 0.000 1.133 334 I CA 1.258 62.557 61.300 -0.002 0.000 1.413 334 I CB 0.032 37.997 38.000 -0.058 0.000 1.073 334 I HN 0.142 nan 8.210 nan 0.000 0.424 335 I N 1.306 121.908 120.570 0.053 0.000 2.235 335 I HA -0.047 4.124 4.170 0.001 0.000 0.241 335 I C -0.027 176.125 176.117 0.060 0.000 1.085 335 I CA 1.279 62.613 61.300 0.056 0.000 1.378 335 I CB -3.000 35.026 38.000 0.043 0.000 1.076 335 I HN 0.141 nan 8.210 nan 0.000 0.415 336 P HA -0.220 nan 4.420 nan 0.000 0.216 336 P C 1.858 179.193 177.300 0.057 0.000 1.153 336 P CA 1.490 64.619 63.100 0.047 0.000 0.858 336 P CB -0.205 31.525 31.700 0.050 0.000 0.789 337 Y N 0.232 120.519 120.300 -0.020 0.000 2.049 337 Y HA -0.236 4.315 4.550 0.001 0.000 0.277 337 Y C 2.199 178.092 175.900 -0.013 0.000 1.143 337 Y CA 1.522 59.610 58.100 -0.020 0.000 1.115 337 Y CB -1.095 37.345 38.460 -0.035 0.000 0.975 337 Y HN -0.196 nan 8.280 nan 0.000 0.487 338 I N -0.726 119.888 120.570 0.073 0.000 2.091 338 I HA -0.445 3.725 4.170 0.001 0.000 0.239 338 I C 2.247 178.313 176.117 -0.085 0.000 1.061 338 I CA 2.145 63.437 61.300 -0.014 0.000 1.317 338 I CB -0.904 37.128 38.000 0.054 0.000 1.031 338 I HN 0.288 nan 8.210 nan 0.000 0.401 339 T N 1.218 115.747 114.554 -0.043 0.000 2.607 339 T HA -0.184 4.167 4.350 0.001 0.000 0.267 339 T C 1.605 176.257 174.700 -0.081 0.000 1.049 339 T CA 1.986 64.058 62.100 -0.046 0.000 1.162 339 T CB -0.342 68.514 68.868 -0.019 0.000 0.863 339 T HN 0.360 nan 8.240 nan 0.000 0.424 340 N N 0.566 119.205 118.700 -0.102 0.000 2.258 340 N HA 0.041 4.781 4.740 0.001 0.000 0.183 340 N C 2.129 177.528 175.510 -0.185 0.000 1.029 340 N CA 0.678 53.660 53.050 -0.113 0.000 0.857 340 N CB -0.837 37.604 38.487 -0.076 0.000 1.008 340 N HN 0.218 nan 8.380 nan 0.000 0.433 341 V N 1.937 121.652 119.914 -0.331 0.000 2.358 341 V HA -0.078 4.043 4.120 0.001 0.000 0.246 341 V C 2.238 178.098 176.094 -0.390 0.000 1.047 341 V CA 1.263 63.294 62.300 -0.449 0.000 1.035 341 V CB -0.512 30.758 31.823 -0.921 0.000 0.658 341 V HN 0.182 nan 8.190 nan 0.000 0.452 342 L N -1.160 119.821 121.223 -0.404 0.000 2.509 342 L HA 0.119 4.460 4.340 0.001 0.000 0.222 342 L C 1.024 177.812 176.870 -0.136 0.000 1.123 342 L CA 0.306 55.011 54.840 -0.225 0.000 0.856 342 L CB -0.341 41.621 42.059 -0.162 0.000 0.985 342 L HN 0.363 nan 8.230 nan 0.000 0.456 343 Q N 1.197 120.916 119.800 -0.134 0.000 2.451 343 Q HA -0.241 4.100 4.340 0.001 0.000 0.305 343 Q C -0.115 175.850 176.000 -0.059 0.000 1.345 343 Q CA 0.328 56.081 55.803 -0.084 0.000 0.854 343 Q CB -1.382 27.313 28.738 -0.072 0.000 1.162 343 Q HN 0.351 nan 8.270 nan 0.000 0.440 344 N N -0.220 118.448 118.700 -0.053 0.000 2.844 344 N HA 0.230 4.971 4.740 0.001 0.000 0.268 344 N C -2.306 173.195 175.510 -0.016 0.000 1.574 344 N CA -2.080 50.953 53.050 -0.029 0.000 0.838 344 N CB 1.117 39.591 38.487 -0.022 0.000 1.177 344 N HN -0.073 nan 8.380 nan 0.000 0.495 345 P HA -0.097 nan 4.420 nan 0.000 0.216 345 P C 0.676 177.979 177.300 0.005 0.000 1.150 345 P CA 1.136 64.232 63.100 -0.006 0.000 0.843 345 P CB 0.552 32.247 31.700 -0.008 0.000 0.787 346 D N -0.616 119.787 120.400 0.006 0.000 2.075 346 D HA -0.130 4.510 4.640 0.001 0.000 0.196 346 D C 1.947 178.261 176.300 0.023 0.000 0.985 346 D CA 0.986 54.995 54.000 0.014 0.000 0.834 346 D CB -1.044 39.763 40.800 0.012 0.000 0.987 346 D HN 0.021 nan 8.370 nan 0.000 0.452 347 L N 1.271 122.508 121.223 0.023 0.000 2.081 347 L HA -0.174 4.167 4.340 0.001 0.000 0.212 347 L C 2.126 179.020 176.870 0.039 0.000 1.080 347 L CA 1.962 56.822 54.840 0.034 0.000 0.754 347 L CB -0.857 41.220 42.059 0.030 0.000 0.893 347 L HN -0.011 nan 8.230 nan 0.000 0.433 348 A N -0.436 122.401 122.820 0.029 0.000 1.858 348 A HA -0.190 4.130 4.320 0.001 0.000 0.216 348 A C 2.292 179.897 177.584 0.036 0.000 1.190 348 A CA 1.901 53.956 52.037 0.031 0.000 0.617 348 A CB -1.089 17.922 19.000 0.017 0.000 0.827 348 A HN 0.509 nan 8.150 nan 0.000 0.443 349 L N -0.657 120.584 121.223 0.030 0.000 2.141 349 L HA -0.138 4.202 4.340 0.001 0.000 0.209 349 L C 2.477 179.372 176.870 0.042 0.000 1.094 349 L CA 2.481 57.340 54.840 0.032 0.000 0.763 349 L CB -0.778 41.295 42.059 0.024 0.000 0.908 349 L HN 0.506 nan 8.230 nan 0.000 0.437 350 R N 0.461 120.990 120.500 0.048 0.000 2.061 350 R HA -0.110 4.230 4.340 0.001 0.000 0.230 350 R C 2.277 178.623 176.300 0.076 0.000 1.140 350 R CA 1.957 58.094 56.100 0.063 0.000 0.940 350 R CB -0.647 29.695 30.300 0.069 0.000 0.839 350 R HN 0.310 nan 8.270 nan 0.000 0.429 351 M N 0.168 119.815 119.600 0.078 0.000 2.202 351 M HA -0.127 4.354 4.480 0.001 0.000 0.262 351 M C 2.228 178.581 176.300 0.089 0.000 1.063 351 M CA 1.867 57.221 55.300 0.091 0.000 1.097 351 M CB -0.521 32.130 32.600 0.084 0.000 1.382 351 M HN 0.368 nan 8.290 nan 0.000 0.413 352 A N 0.266 123.128 122.820 0.070 0.000 1.832 352 A HA -0.096 4.224 4.320 0.001 0.000 0.214 352 A C 2.254 179.875 177.584 0.062 0.000 1.200 352 A CA 1.657 53.733 52.037 0.064 0.000 0.610 352 A CB -1.066 17.964 19.000 0.049 0.000 0.842 352 A HN 0.258 nan 8.150 nan 0.000 0.444 353 V N 0.389 120.336 119.914 0.054 0.000 2.332 353 V HA -0.284 3.837 4.120 0.001 0.000 0.248 353 V C 2.672 178.800 176.094 0.055 0.000 1.055 353 V CA 2.420 64.749 62.300 0.048 0.000 1.038 353 V CB -0.896 30.952 31.823 0.042 0.000 0.651 353 V HN 0.651 nan 8.190 nan 0.000 0.450 354 R N 0.925 121.468 120.500 0.073 0.000 2.096 354 R HA -0.188 4.153 4.340 0.001 0.000 0.229 354 R C 1.421 177.770 176.300 0.082 0.000 1.134 354 R CA 2.463 58.616 56.100 0.088 0.000 0.917 354 R CB -0.299 30.080 30.300 0.132 0.000 0.832 354 R HN 0.586 nan 8.270 nan 0.000 0.430 355 N N 1.240 119.996 118.700 0.094 0.000 2.346 355 N HA 0.066 4.807 4.740 0.001 0.000 0.225 355 N C -0.998 174.549 175.510 0.061 0.000 1.144 355 N CA 0.032 53.129 53.050 0.078 0.000 0.837 355 N CB 0.229 38.775 38.487 0.099 0.000 1.069 355 N HN 0.257 nan 8.380 nan 0.000 0.487 356 N N 0.600 119.332 118.700 0.054 0.000 2.669 356 N HA -0.194 4.546 4.740 0.001 0.000 0.266 356 N C -0.681 174.862 175.510 0.055 0.000 1.024 356 N CA 0.771 53.848 53.050 0.045 0.000 0.766 356 N CB -0.907 37.598 38.487 0.031 0.000 0.898 356 N HN 0.360 nan 8.380 nan 0.000 0.548 357 L N -0.586 120.678 121.223 0.068 0.000 2.670 357 L HA 0.978 5.319 4.340 0.001 0.000 0.251 357 L C 0.656 177.560 176.870 0.056 0.000 1.548 357 L CA -0.608 54.278 54.840 0.075 0.000 1.643 357 L CB 0.727 42.847 42.059 0.101 0.000 2.174 357 L HN 0.247 nan 8.230 nan 0.000 0.585 358 A N 0.000 122.853 122.820 0.054 0.000 2.254 358 A HA 0.000 4.321 4.320 0.001 0.000 0.244 358 A CA 0.000 52.062 52.037 0.041 0.000 0.836 358 A CB 0.000 19.020 19.000 0.033 0.000 0.831 358 A HN 0.000 nan 8.150 nan 0.000 0.486