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 2o7b_1_B DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHHLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.308 177.300 0.014 0.000 1.155 7 P CA 0.000 63.107 63.100 0.011 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 K N 2.502 122.911 120.400 0.015 0.000 2.543 8 K HA 0.069 4.392 4.320 0.004 0.000 0.279 8 K C -1.934 174.676 176.600 0.017 0.000 1.001 8 K CA -0.356 55.942 56.287 0.019 0.000 1.088 8 K CB 0.218 32.730 32.500 0.020 0.000 0.863 8 K HN 0.060 nan 8.250 nan 0.000 0.488 9 P HA -0.005 nan 4.420 nan 0.000 0.268 9 P C -1.509 175.799 177.300 0.014 0.000 1.208 9 P CA -0.040 63.071 63.100 0.018 0.000 0.777 9 P CB 0.957 32.672 31.700 0.024 0.000 0.875 10 A N 2.003 124.829 122.820 0.011 0.000 2.356 10 A HA 0.538 4.861 4.320 0.004 0.000 0.310 10 A C -0.975 176.612 177.584 0.005 0.000 1.075 10 A CA -0.582 51.458 52.037 0.006 0.000 0.746 10 A CB 1.065 20.067 19.000 0.005 0.000 1.221 10 A HN 0.313 nan 8.150 nan 0.000 0.443 11 V N 2.660 122.574 119.914 -0.001 0.000 2.333 11 V HA 0.270 4.393 4.120 0.004 0.000 0.274 11 V C 0.285 176.376 176.094 -0.006 0.000 1.028 11 V CA -0.319 61.979 62.300 -0.003 0.000 0.851 11 V CB 1.110 32.927 31.823 -0.010 0.000 1.000 11 V HN 0.954 nan 8.190 nan 0.000 0.456 12 E N 4.403 124.603 120.200 -0.001 0.000 2.089 12 E HA 0.325 4.678 4.350 0.004 0.000 0.284 12 E C -0.806 175.793 176.600 -0.002 0.000 1.023 12 E CA -0.765 55.634 56.400 -0.001 0.000 0.819 12 E CB 1.108 30.809 29.700 0.003 0.000 1.076 12 E HN 0.570 nan 8.360 nan 0.000 0.396 13 L N 5.345 126.563 121.223 -0.008 0.000 2.281 13 L HA 0.232 4.575 4.340 0.004 0.000 0.285 13 L C -0.057 176.811 176.870 -0.004 0.000 1.074 13 L CA 0.635 55.468 54.840 -0.011 0.000 0.817 13 L CB 1.183 43.229 42.059 -0.022 0.000 1.168 13 L HN 0.693 nan 8.230 nan 0.000 0.434 14 D N 2.723 123.126 120.400 0.005 0.000 3.074 14 D HA 0.183 4.825 4.640 0.004 0.000 0.227 14 D C 1.315 177.623 176.300 0.015 0.000 1.553 14 D CA 0.635 54.642 54.000 0.011 0.000 1.347 14 D CB 0.730 41.540 40.800 0.018 0.000 1.021 14 D HN 0.582 nan 8.370 nan 0.000 0.260 15 R N -1.530 118.989 120.500 0.033 0.000 2.197 15 R HA 0.202 4.545 4.340 0.004 0.000 0.188 15 R C 0.252 176.594 176.300 0.070 0.000 1.015 15 R CA -0.169 55.958 56.100 0.045 0.000 1.132 15 R CB 0.445 30.776 30.300 0.052 0.000 1.134 15 R HN 0.192 nan 8.270 nan 0.000 0.560 16 H N 0.240 119.303 119.070 -0.012 0.000 2.492 16 H HA 0.542 5.101 4.556 0.004 0.000 0.345 16 H C -1.340 173.981 175.328 -0.011 0.000 1.136 16 H CA -0.588 55.452 56.048 -0.014 0.000 1.202 16 H CB 1.357 31.111 29.762 -0.013 0.000 1.524 16 H HN 0.034 nan 8.280 nan 0.000 0.506 17 I N 4.544 124.787 120.570 -0.546 0.000 2.569 17 I HA 0.240 4.412 4.170 0.004 0.000 0.290 17 I C -1.173 174.684 176.117 -0.434 0.000 1.088 17 I CA -0.875 60.238 61.300 -0.312 0.000 1.047 17 I CB 1.359 39.253 38.000 -0.177 0.000 1.237 17 I HN 0.832 nan 8.210 nan 0.000 0.421 18 D N 6.214 126.515 120.400 -0.165 0.000 2.383 18 D HA 0.187 4.829 4.640 0.004 0.000 0.248 18 D C 1.042 177.316 176.300 -0.044 0.000 1.170 18 D CA -0.534 53.428 54.000 -0.064 0.000 0.977 18 D CB 0.986 41.823 40.800 0.061 0.000 1.120 18 D HN 0.514 nan 8.370 nan 0.000 0.481 19 L N -0.301 120.919 121.223 -0.005 0.000 2.079 19 L HA -0.156 4.186 4.340 0.004 0.000 0.210 19 L C 1.531 178.439 176.870 0.064 0.000 1.081 19 L CA 1.414 56.269 54.840 0.024 0.000 0.752 19 L CB -0.483 41.600 42.059 0.041 0.000 0.896 19 L HN 0.462 nan 8.230 nan 0.000 0.433 20 D N -0.277 120.162 120.400 0.065 0.000 2.117 20 D HA -0.168 4.475 4.640 0.004 0.000 0.198 20 D C 2.314 178.661 176.300 0.077 0.000 0.982 20 D CA 1.059 55.116 54.000 0.095 0.000 0.828 20 D CB -0.101 40.746 40.800 0.078 0.000 0.967 20 D HN 0.423 nan 8.370 nan 0.000 0.464 21 Q N 0.499 120.322 119.800 0.039 0.000 2.050 21 Q HA -0.076 4.266 4.340 0.004 0.000 0.202 21 Q C 2.275 178.274 176.000 -0.002 0.000 0.980 21 Q CA 1.366 57.179 55.803 0.016 0.000 0.840 21 Q CB -0.129 28.607 28.738 -0.002 0.000 0.898 21 Q HN 0.196 nan 8.270 nan 0.000 0.424 22 A N 0.986 123.800 122.820 -0.010 0.000 1.883 22 A HA -0.261 4.061 4.320 0.004 0.000 0.217 22 A C 1.968 179.532 177.584 -0.032 0.000 1.186 22 A CA 1.774 53.793 52.037 -0.030 0.000 0.624 22 A CB -0.924 18.057 19.000 -0.031 0.000 0.822 22 A HN 0.469 nan 8.150 nan 0.000 0.444 23 H N -0.131 118.890 119.070 -0.082 0.000 2.423 23 H HA 0.041 4.599 4.556 0.004 0.000 0.297 23 H C 2.235 177.480 175.328 -0.138 0.000 1.075 23 H CA 1.394 57.355 56.048 -0.145 0.000 1.342 23 H CB -0.137 29.460 29.762 -0.275 0.000 1.395 23 H HN 0.418 nan 8.280 nan 0.000 0.530 24 A N 0.425 123.231 122.820 -0.023 0.000 1.902 24 A HA -0.095 4.227 4.320 0.004 0.000 0.217 24 A C 2.800 180.338 177.584 -0.076 0.000 1.181 24 A CA 1.550 53.576 52.037 -0.019 0.000 0.623 24 A CB -0.773 18.245 19.000 0.030 0.000 0.818 24 A HN 0.286 nan 8.150 nan 0.000 0.443 25 V N -0.331 119.530 119.914 -0.089 0.000 2.323 25 V HA -0.163 3.960 4.120 0.004 0.000 0.244 25 V C 3.038 179.032 176.094 -0.167 0.000 1.041 25 V CA 1.733 63.974 62.300 -0.097 0.000 1.025 25 V CB -1.198 30.575 31.823 -0.083 0.000 0.656 25 V HN 0.591 nan 8.190 nan 0.000 0.451 26 A N 0.889 123.568 122.820 -0.234 0.000 1.933 26 A HA -0.193 4.129 4.320 0.004 0.000 0.218 26 A C 2.413 179.772 177.584 -0.376 0.000 1.175 26 A CA 2.215 54.059 52.037 -0.322 0.000 0.628 26 A CB -0.653 18.162 19.000 -0.308 0.000 0.814 26 A HN 0.686 nan 8.150 nan 0.000 0.444 27 S N -2.101 113.393 115.700 -0.343 0.000 2.562 27 S HA 0.366 4.838 4.470 0.004 0.000 0.221 27 S C 1.426 176.144 174.600 0.196 0.000 0.975 27 S CA 1.052 59.200 58.200 -0.087 0.000 0.918 27 S CB -0.253 62.810 63.200 -0.228 0.000 0.772 27 S HN 1.932 nan 8.310 nan 0.000 0.531 28 G N 0.381 109.221 108.800 0.067 0.000 2.159 28 G HA2 -0.208 3.755 3.960 0.004 0.000 0.256 28 G HA3 -0.208 3.755 3.960 0.004 0.000 0.256 28 G C 0.853 175.815 174.900 0.104 0.000 0.977 28 G CA 0.133 45.332 45.100 0.165 0.000 0.652 28 G HN 0.948 nan 8.290 nan 0.000 0.531 29 G N -0.313 108.524 108.800 0.061 0.000 2.511 29 G HA2 0.533 4.496 3.960 0.004 0.000 0.217 29 G HA3 0.533 4.496 3.960 0.004 0.000 0.217 29 G C 0.693 175.616 174.900 0.039 0.000 1.133 29 G CA 1.746 46.879 45.100 0.056 0.000 0.792 29 G HN 1.816 nan 8.290 nan 0.000 0.539 30 A N -0.150 122.682 122.820 0.021 0.000 2.475 30 A HA 0.738 5.061 4.320 0.004 0.000 0.301 30 A C 0.034 177.620 177.584 0.003 0.000 1.059 30 A CA -0.914 51.131 52.037 0.013 0.000 0.710 30 A CB 1.288 20.294 19.000 0.009 0.000 1.288 30 A HN 0.406 nan 8.150 nan 0.000 0.408 31 R N 1.107 121.609 120.500 0.004 0.000 2.546 31 R HA 0.804 5.147 4.340 0.004 0.000 0.266 31 R C -0.799 175.495 176.300 -0.010 0.000 1.086 31 R CA -0.474 55.625 56.100 -0.002 0.000 1.160 31 R CB 0.915 31.217 30.300 0.003 0.000 1.138 31 R HN 0.638 nan 8.270 nan 0.000 0.567 32 I N 1.278 121.838 120.570 -0.016 0.000 2.608 32 I HA 0.448 4.621 4.170 0.004 0.000 0.295 32 I C -1.193 174.914 176.117 -0.016 0.000 1.049 32 I CA -1.186 60.102 61.300 -0.020 0.000 1.063 32 I CB 2.271 40.252 38.000 -0.031 0.000 1.248 32 I HN 0.652 nan 8.210 nan 0.000 0.424 33 V N 4.652 124.558 119.914 -0.014 0.000 2.841 33 V HA 0.567 4.690 4.120 0.004 0.000 0.310 33 V C -1.248 174.839 176.094 -0.012 0.000 1.090 33 V CA -0.901 61.392 62.300 -0.011 0.000 0.930 33 V CB 1.709 33.528 31.823 -0.007 0.000 1.014 33 V HN 0.646 nan 8.190 nan 0.000 0.425 34 L N 4.137 125.353 121.223 -0.012 0.000 2.281 34 L HA 0.817 5.159 4.340 0.004 0.000 0.285 34 L C 0.847 177.713 176.870 -0.007 0.000 1.074 34 L CA 0.321 55.154 54.840 -0.011 0.000 0.817 34 L CB 0.781 42.832 42.059 -0.013 0.000 1.168 34 L HN 1.148 nan 8.230 nan 0.000 0.434 35 A N 6.853 129.670 122.820 -0.004 0.000 2.445 35 A HA 0.370 4.692 4.320 0.004 0.000 0.242 35 A C -1.612 175.971 177.584 -0.002 0.000 1.075 35 A CA -0.783 51.254 52.037 -0.001 0.000 0.777 35 A CB -0.327 18.674 19.000 0.002 0.000 1.013 35 A HN 0.787 nan 8.150 nan 0.000 0.493 36 P HA -0.161 nan 4.420 nan 0.000 0.216 36 P C -1.447 175.853 177.300 -0.001 0.000 1.157 36 P CA 1.881 64.980 63.100 -0.002 0.000 0.880 36 P CB -0.746 30.953 31.700 -0.001 0.000 0.791 37 P HA -0.141 nan 4.420 nan 0.000 0.216 37 P C 1.393 178.695 177.300 0.002 0.000 1.150 37 P CA 1.942 65.043 63.100 0.002 0.000 0.837 37 P CB -0.600 31.102 31.700 0.004 0.000 0.786 38 A N -0.189 122.632 122.820 0.001 0.000 1.897 38 A HA -0.162 4.160 4.320 0.004 0.000 0.215 38 A C 2.240 179.822 177.584 -0.003 0.000 1.181 38 A CA 1.179 53.216 52.037 0.000 0.000 0.620 38 A CB -0.941 18.058 19.000 -0.001 0.000 0.821 38 A HN 0.034 nan 8.150 nan 0.000 0.443 39 R N -0.175 120.322 120.500 -0.005 0.000 2.091 39 R HA -0.135 4.208 4.340 0.004 0.000 0.238 39 R C 1.487 177.782 176.300 -0.008 0.000 1.136 39 R CA 1.566 57.660 56.100 -0.009 0.000 0.959 39 R CB -0.405 29.890 30.300 -0.010 0.000 0.856 39 R HN 0.477 nan 8.270 nan 0.000 0.437 40 D N 0.052 120.449 120.400 -0.005 0.000 2.117 40 D HA -0.095 4.547 4.640 0.004 0.000 0.198 40 D C 1.986 178.285 176.300 -0.002 0.000 0.982 40 D CA 1.011 55.008 54.000 -0.004 0.000 0.828 40 D CB -0.127 40.672 40.800 -0.001 0.000 0.967 40 D HN 0.175 nan 8.370 nan 0.000 0.464 41 R N 0.051 120.552 120.500 0.001 0.000 2.096 41 R HA -0.063 4.280 4.340 0.004 0.000 0.235 41 R C 2.440 178.744 176.300 0.005 0.000 1.127 41 R CA 0.876 56.979 56.100 0.006 0.000 0.968 41 R CB -0.504 29.801 30.300 0.009 0.000 0.861 41 R HN 0.235 nan 8.270 nan 0.000 0.440 42 C N -0.011 119.288 119.300 -0.000 0.000 2.446 42 C HA -0.005 4.458 4.460 0.004 0.000 0.277 42 C C 2.595 177.576 174.990 -0.015 0.000 1.275 42 C CA 0.423 59.438 59.018 -0.005 0.000 1.727 42 C CB -0.743 26.991 27.740 -0.011 0.000 2.010 42 C HN 0.459 nan 8.230 nan 0.000 0.486 43 R N 1.123 121.613 120.500 -0.017 0.000 2.096 43 R HA -0.115 4.228 4.340 0.004 0.000 0.235 43 R C 2.358 178.647 176.300 -0.018 0.000 1.127 43 R CA 1.620 57.707 56.100 -0.022 0.000 0.968 43 R CB -0.471 29.819 30.300 -0.017 0.000 0.861 43 R HN 0.552 nan 8.270 nan 0.000 0.440 44 A N 0.159 122.974 122.820 -0.010 0.000 1.933 44 A HA -0.162 4.160 4.320 0.004 0.000 0.218 44 A C 2.178 179.756 177.584 -0.010 0.000 1.175 44 A CA 1.757 53.790 52.037 -0.006 0.000 0.628 44 A CB -0.485 18.517 19.000 0.003 0.000 0.814 44 A HN 0.288 nan 8.150 nan 0.000 0.444 45 S N -0.840 114.857 115.700 -0.005 0.000 2.387 45 S HA -0.167 4.305 4.470 0.004 0.000 0.226 45 S C 1.999 176.562 174.600 -0.061 0.000 1.026 45 S CA 1.436 59.633 58.200 -0.005 0.000 0.972 45 S CB -0.306 62.915 63.200 0.035 0.000 0.814 45 S HN 0.690 nan 8.310 nan 0.000 0.477 46 E N 0.445 120.614 120.200 -0.053 0.000 2.118 46 E HA -0.130 4.223 4.350 0.004 0.000 0.195 46 E C 2.009 178.566 176.600 -0.073 0.000 0.992 46 E CA 1.108 57.466 56.400 -0.070 0.000 0.804 46 E CB -0.354 29.310 29.700 -0.060 0.000 0.741 46 E HN 0.595 nan 8.360 nan 0.000 0.458 47 A N 1.157 123.945 122.820 -0.053 0.000 1.930 47 A HA -0.127 4.196 4.320 0.004 0.000 0.217 47 A C 2.138 179.679 177.584 -0.072 0.000 1.175 47 A CA 1.150 53.160 52.037 -0.044 0.000 0.627 47 A CB -0.351 18.634 19.000 -0.025 0.000 0.815 47 A HN 0.173 nan 8.150 nan 0.000 0.443 48 R N -1.105 119.338 120.500 -0.094 0.000 2.075 48 R HA -0.093 4.250 4.340 0.004 0.000 0.232 48 R C 2.098 178.245 176.300 -0.254 0.000 1.126 48 R CA 1.370 57.397 56.100 -0.121 0.000 0.963 48 R CB -0.598 29.656 30.300 -0.077 0.000 0.858 48 R HN 0.494 nan 8.270 nan 0.000 0.435 49 L N 0.699 121.685 121.223 -0.395 0.000 2.046 49 L HA -0.034 4.309 4.340 0.004 0.000 0.208 49 L C 2.147 178.871 176.870 -0.244 0.000 1.077 49 L CA 2.146 56.663 54.840 -0.538 0.000 0.747 49 L CB -1.042 40.729 42.059 -0.480 0.000 0.896 49 L HN 0.167 nan 8.230 nan 0.000 0.432 50 G N -1.002 107.715 108.800 -0.139 0.000 2.440 50 G HA2 -0.285 3.678 3.960 0.004 0.000 0.218 50 G HA3 -0.285 3.678 3.960 0.004 0.000 0.218 50 G C 1.584 176.449 174.900 -0.058 0.000 1.154 50 G CA 0.946 46.006 45.100 -0.068 0.000 0.767 50 G HN 0.665 nan 8.290 nan 0.000 0.552 51 A N 0.050 122.833 122.820 -0.062 0.000 1.898 51 A HA 0.117 4.439 4.320 0.004 0.000 0.216 51 A C 2.600 180.169 177.584 -0.024 0.000 1.181 51 A CA 1.714 53.730 52.037 -0.034 0.000 0.620 51 A CB -0.663 18.322 19.000 -0.025 0.000 0.819 51 A HN 0.257 nan 8.150 nan 0.000 0.442 52 V N 0.393 120.280 119.914 -0.046 0.000 2.332 52 V HA -0.301 3.821 4.120 0.004 0.000 0.248 52 V C 2.405 178.510 176.094 0.017 0.000 1.055 52 V CA 2.172 64.474 62.300 0.003 0.000 1.038 52 V CB -0.682 31.138 31.823 -0.005 0.000 0.651 52 V HN 0.575 nan 8.190 nan 0.000 0.450 53 I N -0.750 119.811 120.570 -0.015 0.000 2.286 53 I HA -0.185 3.988 4.170 0.004 0.000 0.245 53 I C 2.725 178.843 176.117 0.002 0.000 1.104 53 I CA 1.357 62.657 61.300 0.001 0.000 1.397 53 I CB -0.437 37.554 38.000 -0.016 0.000 1.072 53 I HN 0.196 nan 8.210 nan 0.000 0.417 54 R N 0.937 121.433 120.500 -0.007 0.000 2.096 54 R HA -0.159 4.184 4.340 0.004 0.000 0.235 54 R C 1.716 178.018 176.300 0.004 0.000 1.127 54 R CA 1.287 57.385 56.100 -0.005 0.000 0.968 54 R CB -0.267 30.027 30.300 -0.009 0.000 0.861 54 R HN 0.473 nan 8.270 nan 0.000 0.440 55 E N 0.110 120.317 120.200 0.012 0.000 2.502 55 E HA 0.094 4.446 4.350 0.004 0.000 0.194 55 E C 0.331 176.948 176.600 0.028 0.000 1.062 55 E CA 0.332 56.744 56.400 0.021 0.000 0.867 55 E CB 0.372 30.089 29.700 0.028 0.000 0.888 55 E HN 0.320 nan 8.360 nan 0.000 0.510 56 A N 2.067 124.904 122.820 0.029 0.000 2.745 56 A HA -0.234 4.089 4.320 0.004 0.000 0.296 56 A C 0.057 177.675 177.584 0.057 0.000 1.500 56 A CA 0.557 52.613 52.037 0.032 0.000 0.766 56 A CB -1.296 17.712 19.000 0.014 0.000 1.030 56 A HN 0.139 nan 8.150 nan 0.000 0.489 57 R N 0.053 120.604 120.500 0.085 0.000 2.643 57 R HA 0.127 4.469 4.340 0.004 0.000 0.270 57 R C 0.540 176.949 176.300 0.182 0.000 1.061 57 R CA -0.136 56.040 56.100 0.127 0.000 1.107 57 R CB 0.137 30.524 30.300 0.145 0.000 0.999 57 R HN 0.719 nan 8.270 nan 0.000 0.460 58 H N 1.698 120.805 119.070 0.061 0.000 3.232 58 H HA 0.217 4.775 4.556 0.004 0.000 0.254 58 H C -0.910 174.479 175.328 0.101 0.000 1.213 58 H CA -0.390 55.684 56.048 0.044 0.000 1.503 58 H CB 0.160 29.923 29.762 0.001 0.000 1.563 58 H HN 0.039 nan 8.280 nan 0.000 0.490 59 V N 6.323 126.429 119.914 0.320 0.000 2.638 59 V HA 0.007 4.130 4.120 0.004 0.000 0.306 59 V C -0.688 175.623 176.094 0.362 0.000 1.052 59 V CA -1.006 61.517 62.300 0.372 0.000 0.885 59 V CB 1.288 33.327 31.823 0.361 0.000 0.999 59 V HN 0.643 nan 8.190 nan 0.000 0.424 60 Y N 3.734 124.272 120.300 0.397 0.000 2.810 60 Y HA 0.354 4.906 4.550 0.004 0.000 0.332 60 Y C 1.388 177.365 175.900 0.129 0.000 1.243 60 Y CA 1.899 60.120 58.100 0.202 0.000 1.537 60 Y CB 0.596 39.220 38.460 0.272 0.000 1.265 60 Y HN 1.057 nan 8.280 nan 0.000 0.572 61 G N 4.089 112.552 108.800 -0.562 0.000 2.234 61 G HA2 -0.305 3.658 3.960 0.004 0.000 0.260 61 G HA3 -0.305 3.658 3.960 0.004 0.000 0.260 61 G C 0.619 175.480 174.900 -0.065 0.000 0.987 61 G CA 0.639 45.553 45.100 -0.310 0.000 0.625 61 G HN 0.670 nan 8.290 nan 0.000 0.532 62 L N -0.280 120.936 121.223 -0.011 0.000 2.547 62 L HA 0.282 4.625 4.340 0.004 0.000 0.218 62 L C 2.201 179.070 176.870 -0.002 0.000 1.048 62 L CA 1.574 56.440 54.840 0.042 0.000 0.859 62 L CB 0.408 42.540 42.059 0.122 0.000 1.128 62 L HN 0.447 nan 8.230 nan 0.000 0.483 63 T N -3.917 110.632 114.554 -0.008 0.000 3.332 63 T HA 0.190 4.543 4.350 0.004 0.000 0.304 63 T C 0.242 174.897 174.700 -0.074 0.000 0.971 63 T CA 0.059 62.144 62.100 -0.026 0.000 0.954 63 T CB 0.036 68.918 68.868 0.024 0.000 1.175 63 T HN 0.195 nan 8.240 nan 0.000 0.519 64 T N -1.913 112.539 114.554 -0.171 0.000 2.864 64 T HA 0.779 5.132 4.350 0.004 0.000 0.299 64 T C 0.566 174.955 174.700 -0.517 0.000 1.166 64 T CA -0.291 61.673 62.100 -0.227 0.000 1.007 64 T CB 1.445 70.263 68.868 -0.084 0.000 1.219 64 T HN 0.284 nan 8.240 nan 0.000 0.506 65 G N -0.112 108.437 108.800 -0.418 0.000 2.553 65 G HA2 0.558 4.521 3.960 0.004 0.000 0.278 65 G HA3 0.558 4.521 3.960 0.004 0.000 0.278 65 G C -1.061 173.363 174.900 -0.794 0.000 1.349 65 G CA -0.798 43.980 45.100 -0.536 0.000 1.037 65 G HN 0.563 nan 8.290 nan 0.000 0.508 66 F N -0.800 119.093 119.950 -0.094 0.000 2.470 66 F HA 0.592 5.121 4.527 0.004 0.000 0.329 66 F C 1.166 177.065 175.800 0.165 0.000 1.072 66 F CA 0.438 58.443 58.000 0.008 0.000 0.989 66 F CB 1.497 40.523 39.000 0.045 0.000 1.193 66 F HN 1.018 nan 8.300 nan 0.000 0.481 67 G N 2.270 111.385 108.800 0.525 0.000 2.611 67 G HA2 -0.295 3.667 3.960 0.004 0.000 0.301 67 G HA3 -0.295 3.667 3.960 0.004 0.000 0.301 67 G C -1.854 173.162 174.900 0.194 0.000 1.233 67 G CA -0.030 45.237 45.100 0.278 0.000 0.993 67 G HN 0.516 nan 8.290 nan 0.000 0.553 68 P HA 0.167 nan 4.420 nan 0.000 0.230 68 P C 1.709 179.049 177.300 0.066 0.000 1.158 68 P CA 0.700 63.848 63.100 0.080 0.000 0.769 68 P CB -0.056 31.677 31.700 0.055 0.000 0.807 69 L N -1.455 119.808 121.223 0.067 0.000 2.612 69 L HA 0.165 4.508 4.340 0.004 0.000 0.230 69 L C 1.967 178.838 176.870 0.002 0.000 1.140 69 L CA 0.068 54.922 54.840 0.024 0.000 0.896 69 L CB -0.632 41.430 42.059 0.006 0.000 1.065 69 L HN -0.037 nan 8.230 nan 0.000 0.447 70 A N 1.195 124.050 122.820 0.060 0.000 2.172 70 A HA -0.154 4.168 4.320 0.004 0.000 0.216 70 A C 1.934 179.552 177.584 0.056 0.000 1.154 70 A CA 1.256 53.332 52.037 0.066 0.000 0.701 70 A CB -0.469 18.676 19.000 0.243 0.000 0.789 70 A HN 0.639 nan 8.150 nan 0.000 0.465 71 N N -0.594 118.130 118.700 0.040 0.000 2.461 71 N HA -0.021 4.721 4.740 0.004 0.000 0.188 71 N C 0.006 175.507 175.510 -0.014 0.000 1.134 71 N CA 0.183 53.248 53.050 0.025 0.000 0.878 71 N CB -0.169 38.333 38.487 0.023 0.000 0.972 71 N HN 0.157 nan 8.380 nan 0.000 0.456 72 R N 1.043 121.524 120.500 -0.032 0.000 2.204 72 R HA 0.392 4.735 4.340 0.004 0.000 0.341 72 R C -0.154 176.096 176.300 -0.082 0.000 1.035 72 R CA -0.302 55.765 56.100 -0.054 0.000 0.887 72 R CB 0.645 30.912 30.300 -0.055 0.000 1.114 72 R HN 0.149 nan 8.270 nan 0.000 0.473 73 L N 3.769 124.938 121.223 -0.090 0.000 2.436 73 L HA 0.360 4.702 4.340 0.004 0.000 0.265 73 L C 0.125 176.938 176.870 -0.095 0.000 1.168 73 L CA -0.335 54.438 54.840 -0.112 0.000 0.815 73 L CB 0.548 42.521 42.059 -0.143 0.000 1.109 73 L HN 0.351 nan 8.230 nan 0.000 0.462 74 I N 1.243 121.756 120.570 -0.094 0.000 2.465 74 I HA 0.188 4.361 4.170 0.004 0.000 0.291 74 I C 0.252 176.335 176.117 -0.056 0.000 1.014 74 I CA -0.279 60.976 61.300 -0.076 0.000 1.093 74 I CB 1.680 39.624 38.000 -0.093 0.000 1.267 74 I HN 0.528 nan 8.210 nan 0.000 0.431 75 S N 3.329 119.003 115.700 -0.043 0.000 2.562 75 S HA 0.265 4.738 4.470 0.004 0.000 0.281 75 S C 1.527 176.112 174.600 -0.025 0.000 1.333 75 S CA 0.278 58.458 58.200 -0.032 0.000 1.052 75 S CB 1.097 64.281 63.200 -0.027 0.000 0.884 75 S HN 0.891 nan 8.310 nan 0.000 0.506 76 G N 2.881 111.669 108.800 -0.019 0.000 2.475 76 G HA2 -0.253 3.710 3.960 0.004 0.000 0.220 76 G HA3 -0.253 3.710 3.960 0.004 0.000 0.220 76 G C 1.155 176.047 174.900 -0.014 0.000 1.125 76 G CA 1.128 46.219 45.100 -0.014 0.000 0.755 76 G HN 0.956 nan 8.290 nan 0.000 0.565 77 E N 0.128 120.319 120.200 -0.015 0.000 2.338 77 E HA -0.061 4.292 4.350 0.004 0.000 0.197 77 E C 1.071 177.665 176.600 -0.011 0.000 1.007 77 E CA 0.812 57.204 56.400 -0.013 0.000 0.849 77 E CB -0.127 29.566 29.700 -0.013 0.000 0.774 77 E HN 0.350 nan 8.360 nan 0.000 0.506 78 N N 0.695 119.388 118.700 -0.012 0.000 2.204 78 N HA 0.070 4.813 4.740 0.004 0.000 0.219 78 N C 1.244 176.752 175.510 -0.004 0.000 1.151 78 N CA 0.079 53.124 53.050 -0.007 0.000 0.867 78 N CB 1.236 39.717 38.487 -0.009 0.000 1.043 78 N HN 0.040 nan 8.380 nan 0.000 0.516 79 V N 1.061 120.972 119.914 -0.005 0.000 2.407 79 V HA -0.192 3.931 4.120 0.004 0.000 0.248 79 V C 2.420 178.523 176.094 0.015 0.000 1.055 79 V CA 1.377 63.680 62.300 0.004 0.000 1.049 79 V CB -0.222 31.604 31.823 0.005 0.000 0.662 79 V HN 0.238 nan 8.190 nan 0.000 0.455 80 R N 0.298 120.801 120.500 0.005 0.000 2.083 80 R HA -0.131 4.212 4.340 0.004 0.000 0.237 80 R C 2.369 178.670 176.300 0.002 0.000 1.137 80 R CA 2.024 58.125 56.100 0.001 0.000 0.951 80 R CB -1.428 28.868 30.300 -0.006 0.000 0.851 80 R HN 0.522 nan 8.270 nan 0.000 0.434 81 T N 2.320 116.879 114.554 0.008 0.000 2.777 81 T HA -0.111 4.242 4.350 0.004 0.000 0.266 81 T C 1.891 176.611 174.700 0.034 0.000 1.040 81 T CA 1.013 63.122 62.100 0.015 0.000 1.141 81 T CB -0.294 68.587 68.868 0.022 0.000 0.868 81 T HN 0.083 nan 8.240 nan 0.000 0.444 82 L N 1.409 122.662 121.223 0.050 0.000 1.990 82 L HA -0.161 4.182 4.340 0.004 0.000 0.213 82 L C 2.398 179.382 176.870 0.190 0.000 1.072 82 L CA 1.863 56.769 54.840 0.110 0.000 0.755 82 L CB -0.667 41.424 42.059 0.053 0.000 0.889 82 L HN 0.252 nan 8.230 nan 0.000 0.432 83 Q N -0.930 118.942 119.800 0.120 0.000 2.230 83 Q HA -0.060 4.282 4.340 0.004 0.000 0.202 83 Q C 2.193 178.157 176.000 -0.060 0.000 0.963 83 Q CA 1.111 56.961 55.803 0.079 0.000 0.866 83 Q CB -0.253 28.522 28.738 0.061 0.000 0.931 83 Q HN 0.708 nan 8.270 nan 0.000 0.452 84 A N 1.682 124.444 122.820 -0.096 0.000 1.898 84 A HA -0.153 4.169 4.320 0.004 0.000 0.216 84 A C 1.721 179.043 177.584 -0.436 0.000 1.181 84 A CA 1.228 53.102 52.037 -0.272 0.000 0.620 84 A CB -0.252 18.619 19.000 -0.215 0.000 0.819 84 A HN 0.248 nan 8.150 nan 0.000 0.442 85 N N -0.278 118.333 118.700 -0.148 0.000 2.459 85 N HA -0.066 4.676 4.740 0.004 0.000 0.181 85 N C 1.473 177.024 175.510 0.068 0.000 1.046 85 N CA 0.970 54.030 53.050 0.017 0.000 0.904 85 N CB -0.343 38.229 38.487 0.142 0.000 0.964 85 N HN 0.466 nan 8.380 nan 0.000 0.444 86 L N 0.616 121.804 121.223 -0.057 0.000 2.005 86 L HA -0.047 4.296 4.340 0.004 0.000 0.207 86 L C 1.882 178.488 176.870 -0.441 0.000 1.072 86 L CA 1.396 56.049 54.840 -0.313 0.000 0.744 86 L CB -0.658 41.024 42.059 -0.627 0.000 0.895 86 L HN -0.135 nan 8.230 nan 0.000 0.433 87 V N -0.244 119.471 119.914 -0.332 0.000 2.407 87 V HA -0.329 3.794 4.120 0.004 0.000 0.248 87 V C 2.393 178.360 176.094 -0.211 0.000 1.055 87 V CA 2.181 64.302 62.300 -0.298 0.000 1.049 87 V CB -1.006 30.667 31.823 -0.250 0.000 0.662 87 V HN 0.621 nan 8.190 nan 0.000 0.455 88 H N -0.451 118.519 119.070 -0.168 0.000 2.293 88 H HA -0.176 4.383 4.556 0.004 0.000 0.300 88 H C 2.382 177.646 175.328 -0.106 0.000 1.082 88 H CA 1.652 57.632 56.048 -0.114 0.000 1.308 88 H CB -0.202 29.541 29.762 -0.032 0.000 1.375 88 H HN 0.652 nan 8.280 nan 0.000 0.495 89 H N 0.676 119.769 119.070 0.039 0.000 2.457 89 H HA -0.059 4.499 4.556 0.004 0.000 0.294 89 H C 1.862 177.159 175.328 -0.052 0.000 1.064 89 H CA 0.895 56.937 56.048 -0.010 0.000 1.330 89 H CB -0.255 29.503 29.762 -0.006 0.000 1.395 89 H HN 0.329 nan 8.280 nan 0.000 0.541 90 L N 0.964 121.835 121.223 -0.587 0.000 2.418 90 L HA 0.130 4.473 4.340 0.004 0.000 0.218 90 L C 1.906 178.620 176.870 -0.260 0.000 1.125 90 L CA 0.367 54.939 54.840 -0.447 0.000 0.835 90 L CB -0.075 41.662 42.059 -0.538 0.000 0.953 90 L HN 0.267 nan 8.230 nan 0.000 0.454 91 A N 0.067 122.704 122.820 -0.305 0.000 3.029 91 A HA 0.148 4.470 4.320 0.004 0.000 0.251 91 A C 1.243 178.760 177.584 -0.111 0.000 1.749 91 A CA 0.318 52.051 52.037 -0.507 0.000 1.386 91 A CB -0.650 18.009 19.000 -0.569 0.000 1.043 91 A HN 0.364 nan 8.150 nan 0.000 0.638 92 S N -0.594 115.142 115.700 0.061 0.000 2.602 92 S HA 0.370 4.843 4.470 0.004 0.000 0.240 92 S C 0.885 175.581 174.600 0.160 0.000 0.992 92 S CA 0.091 58.357 58.200 0.110 0.000 0.971 92 S CB 0.060 63.296 63.200 0.060 0.000 0.855 92 S HN 0.760 nan 8.310 nan 0.000 0.481 93 G N 1.552 110.551 108.800 0.331 0.000 2.544 93 G HA2 0.499 4.461 3.960 0.004 0.000 0.242 93 G HA3 0.499 4.461 3.960 0.004 0.000 0.242 93 G C -0.108 174.773 174.900 -0.032 0.000 1.247 93 G CA 0.126 45.273 45.100 0.079 0.000 0.840 93 G HN 1.021 nan 8.290 nan 0.000 0.578 94 V N -0.926 118.957 119.914 -0.052 0.000 3.165 94 V HA 1.032 5.155 4.120 0.004 0.000 0.309 94 V C 0.609 176.669 176.094 -0.057 0.000 1.267 94 V CA -0.085 62.186 62.300 -0.049 0.000 1.067 94 V CB 1.077 32.891 31.823 -0.015 0.000 1.082 94 V HN 2.563 nan 8.190 nan 0.000 0.451 95 G N 0.401 109.175 108.800 -0.043 0.000 2.712 95 G HA2 0.048 4.010 3.960 0.004 0.000 0.683 95 G HA3 0.048 4.010 3.960 0.004 0.000 0.683 95 G C -2.665 172.211 174.900 -0.041 0.000 1.320 95 G CA -0.292 44.788 45.100 -0.034 0.000 0.847 95 G HN 1.147 nan 8.290 nan 0.000 0.553 96 P HA 0.399 nan 4.420 nan 0.000 0.269 96 P C 0.822 178.103 177.300 -0.031 0.000 1.209 96 P CA 0.467 63.555 63.100 -0.020 0.000 0.776 96 P CB 0.834 32.532 31.700 -0.004 0.000 0.876 97 V N 1.584 121.481 119.914 -0.029 0.000 2.924 97 V HA 0.155 4.278 4.120 0.004 0.000 0.305 97 V C 0.655 176.743 176.094 -0.009 0.000 1.073 97 V CA -0.650 61.629 62.300 -0.036 0.000 1.098 97 V CB -0.490 31.316 31.823 -0.028 0.000 1.000 97 V HN 0.301 nan 8.190 nan 0.000 0.484 98 L N 3.051 124.265 121.223 -0.015 0.000 2.483 98 L HA 0.236 4.578 4.340 0.004 0.000 0.276 98 L C 0.720 177.611 176.870 0.036 0.000 1.213 98 L CA -0.172 54.672 54.840 0.006 0.000 0.843 98 L CB 0.043 42.097 42.059 -0.010 0.000 1.107 98 L HN 1.022 nan 8.230 nan 0.000 0.487 99 D N 0.092 120.529 120.400 0.062 0.000 2.361 99 D HA -0.124 4.519 4.640 0.004 0.000 0.239 99 D C 0.711 177.103 176.300 0.154 0.000 1.200 99 D CA -0.410 53.659 54.000 0.115 0.000 0.915 99 D CB 0.502 41.376 40.800 0.124 0.000 1.170 99 D HN 0.547 nan 8.370 nan 0.000 0.444 100 W N 1.026 122.332 121.300 0.011 0.000 2.301 100 W HA -0.291 4.371 4.660 0.004 0.000 0.325 100 W C 2.239 178.755 176.519 -0.004 0.000 1.250 100 W CA 2.767 60.118 57.345 0.010 0.000 1.261 100 W CB -0.866 28.602 29.460 0.012 0.000 1.157 100 W HN 0.448 nan 8.180 nan 0.000 0.473 101 T N -0.302 114.376 114.554 0.206 0.000 2.746 101 T HA -0.220 4.133 4.350 0.004 0.000 0.267 101 T C 1.562 176.188 174.700 -0.123 0.000 1.039 101 T CA 2.330 64.405 62.100 -0.042 0.000 1.142 101 T CB -0.934 68.004 68.868 0.116 0.000 0.866 101 T HN 0.191 nan 8.240 nan 0.000 0.444 102 T N 1.906 116.447 114.554 -0.023 0.000 2.777 102 T HA 0.043 4.395 4.350 0.004 0.000 0.266 102 T C 2.442 177.100 174.700 -0.070 0.000 1.040 102 T CA 1.050 63.136 62.100 -0.024 0.000 1.141 102 T CB -0.526 68.356 68.868 0.024 0.000 0.868 102 T HN 0.434 nan 8.240 nan 0.000 0.444 103 A N 1.873 124.640 122.820 -0.089 0.000 1.902 103 A HA -0.120 4.203 4.320 0.004 0.000 0.217 103 A C 2.370 179.857 177.584 -0.161 0.000 1.181 103 A CA 1.443 53.416 52.037 -0.107 0.000 0.623 103 A CB -0.481 18.460 19.000 -0.097 0.000 0.818 103 A HN 0.407 nan 8.150 nan 0.000 0.443 104 R N -0.551 119.786 120.500 -0.273 0.000 2.115 104 R HA -0.003 4.340 4.340 0.004 0.000 0.230 104 R C 2.369 178.540 176.300 -0.214 0.000 1.111 104 R CA 1.035 56.948 56.100 -0.311 0.000 0.976 104 R CB -0.404 29.565 30.300 -0.552 0.000 0.870 104 R HN 0.511 nan 8.270 nan 0.000 0.445 105 A N 1.041 123.753 122.820 -0.180 0.000 1.969 105 A HA -0.165 4.157 4.320 0.004 0.000 0.218 105 A C 2.095 179.628 177.584 -0.085 0.000 1.169 105 A CA 1.198 53.163 52.037 -0.121 0.000 0.635 105 A CB -0.407 18.546 19.000 -0.079 0.000 0.810 105 A HN 0.326 nan 8.150 nan 0.000 0.445 106 M N -0.317 119.236 119.600 -0.079 0.000 2.099 106 M HA -0.103 4.380 4.480 0.004 0.000 0.262 106 M C 1.861 178.125 176.300 -0.060 0.000 1.067 106 M CA 1.879 57.145 55.300 -0.057 0.000 1.124 106 M CB -0.212 32.359 32.600 -0.049 0.000 1.353 106 M HN 0.182 nan 8.290 nan 0.000 0.410 107 V N 1.189 121.057 119.914 -0.077 0.000 2.287 107 V HA -0.285 3.837 4.120 0.004 0.000 0.248 107 V C 2.442 178.497 176.094 -0.065 0.000 1.053 107 V CA 1.837 64.096 62.300 -0.067 0.000 1.027 107 V CB -1.020 30.756 31.823 -0.078 0.000 0.646 107 V HN 0.600 nan 8.190 nan 0.000 0.447 108 L N 0.968 122.142 121.223 -0.082 0.000 2.042 108 L HA -0.117 4.225 4.340 0.004 0.000 0.210 108 L C 2.437 179.271 176.870 -0.061 0.000 1.076 108 L CA 2.412 57.206 54.840 -0.076 0.000 0.749 108 L CB -0.953 41.051 42.059 -0.092 0.000 0.893 108 L HN 0.221 nan 8.230 nan 0.000 0.432 109 A N -0.487 122.299 122.820 -0.057 0.000 1.933 109 A HA -0.257 4.066 4.320 0.004 0.000 0.218 109 A C 2.458 180.019 177.584 -0.038 0.000 1.175 109 A CA 1.833 53.841 52.037 -0.048 0.000 0.628 109 A CB -0.603 18.373 19.000 -0.041 0.000 0.814 109 A HN 0.493 nan 8.150 nan 0.000 0.444 110 R N -0.664 119.816 120.500 -0.034 0.000 2.075 110 R HA -0.065 4.278 4.340 0.004 0.000 0.232 110 R C 1.949 178.236 176.300 -0.022 0.000 1.126 110 R CA 1.508 57.595 56.100 -0.023 0.000 0.963 110 R CB -0.691 29.597 30.300 -0.021 0.000 0.858 110 R HN 0.428 nan 8.270 nan 0.000 0.435 111 L N 0.007 121.212 121.223 -0.030 0.000 2.012 111 L HA -0.132 4.211 4.340 0.004 0.000 0.210 111 L C 1.949 178.802 176.870 -0.028 0.000 1.073 111 L CA 1.734 56.557 54.840 -0.028 0.000 0.748 111 L CB -0.632 41.406 42.059 -0.036 0.000 0.891 111 L HN 0.087 nan 8.230 nan 0.000 0.431 112 V N -0.980 118.912 119.914 -0.037 0.000 2.392 112 V HA -0.288 3.834 4.120 0.004 0.000 0.249 112 V C 2.782 178.858 176.094 -0.029 0.000 1.059 112 V CA 1.833 64.109 62.300 -0.040 0.000 1.051 112 V CB -0.927 30.860 31.823 -0.059 0.000 0.658 112 V HN 0.654 nan 8.190 nan 0.000 0.455 113 S N -0.388 115.297 115.700 -0.025 0.000 2.368 113 S HA -0.137 4.335 4.470 0.004 0.000 0.225 113 S C 1.918 176.517 174.600 -0.003 0.000 1.030 113 S CA 1.648 59.839 58.200 -0.015 0.000 0.999 113 S CB -0.331 62.863 63.200 -0.011 0.000 0.844 113 S HN 0.526 nan 8.310 nan 0.000 0.459 114 I N 1.687 122.257 120.570 -0.000 0.000 2.226 114 I HA -0.152 4.021 4.170 0.004 0.000 0.245 114 I C 2.728 178.849 176.117 0.007 0.000 1.100 114 I CA 1.063 62.370 61.300 0.010 0.000 1.374 114 I CB -0.502 37.501 38.000 0.006 0.000 1.057 114 I HN 0.372 nan 8.210 nan 0.000 0.413 115 A N 0.115 122.933 122.820 -0.004 0.000 2.076 115 A HA -0.226 4.096 4.320 0.004 0.000 0.220 115 A C 2.122 179.707 177.584 0.002 0.000 1.160 115 A CA 1.298 53.333 52.037 -0.004 0.000 0.653 115 A CB -0.379 18.614 19.000 -0.012 0.000 0.801 115 A HN 0.416 nan 8.150 nan 0.000 0.455 116 Q N -1.202 118.600 119.800 0.004 0.000 2.364 116 Q HA 0.050 4.393 4.340 0.004 0.000 0.207 116 Q C 1.253 177.263 176.000 0.017 0.000 0.970 116 Q CA 0.871 56.679 55.803 0.009 0.000 0.888 116 Q CB -0.655 28.085 28.738 0.005 0.000 0.951 116 Q HN 1.115 nan 8.270 nan 0.000 0.469 117 G N 0.272 109.085 108.800 0.023 0.000 2.248 117 G HA2 -0.152 3.811 3.960 0.004 0.000 0.263 117 G HA3 -0.152 3.811 3.960 0.004 0.000 0.263 117 G C 0.382 175.317 174.900 0.058 0.000 1.082 117 G CA 0.388 45.508 45.100 0.033 0.000 0.863 117 G HN 0.536 nan 8.290 nan 0.000 0.495 118 A N -1.063 121.802 122.820 0.076 0.000 2.661 118 A HA 0.722 5.045 4.320 0.004 0.000 0.278 118 A C 1.552 179.249 177.584 0.188 0.000 1.090 118 A CA 1.348 53.455 52.037 0.116 0.000 0.969 118 A CB 0.242 19.272 19.000 0.050 0.000 1.240 118 A HN 0.806 nan 8.150 nan 0.000 0.578 119 S N -1.082 114.727 115.700 0.182 0.000 2.502 119 S HA 0.368 4.840 4.470 0.004 0.000 0.215 119 S C 1.549 176.330 174.600 0.302 0.000 1.009 119 S CA 0.738 59.072 58.200 0.225 0.000 0.908 119 S CB 0.437 63.704 63.200 0.111 0.000 0.801 119 S HN 1.709 nan 8.310 nan 0.000 0.505 120 G N 1.918 110.824 108.800 0.177 0.000 2.162 120 G HA2 -0.238 3.725 3.960 0.004 0.000 0.260 120 G HA3 -0.238 3.725 3.960 0.004 0.000 0.260 120 G C 0.242 175.138 174.900 -0.006 0.000 0.976 120 G CA 0.059 45.161 45.100 0.003 0.000 0.655 120 G HN 0.891 nan 8.290 nan 0.000 0.533 121 A N 0.325 123.159 122.820 0.023 0.000 2.531 121 A HA 0.604 4.927 4.320 0.004 0.000 0.236 121 A C 1.137 178.683 177.584 -0.063 0.000 1.062 121 A CA 1.050 53.082 52.037 -0.009 0.000 0.760 121 A CB 0.214 19.214 19.000 -0.000 0.000 0.995 121 A HN 2.023 nan 8.150 nan 0.000 0.501 122 S N 1.483 117.112 115.700 -0.120 0.000 2.632 122 S HA 0.227 4.700 4.470 0.004 0.000 0.267 122 S C 0.723 175.220 174.600 -0.172 0.000 1.276 122 S CA -0.006 58.054 58.200 -0.233 0.000 0.998 122 S CB 0.853 63.724 63.200 -0.550 0.000 0.953 122 S HN 0.719 nan 8.310 nan 0.000 0.547 123 E N 1.585 121.684 120.200 -0.168 0.000 2.097 123 E HA -0.141 4.211 4.350 0.004 0.000 0.196 123 E C 2.125 178.670 176.600 -0.092 0.000 1.000 123 E CA 1.310 57.648 56.400 -0.103 0.000 0.804 123 E CB -0.771 28.880 29.700 -0.082 0.000 0.740 123 E HN 0.907 nan 8.360 nan 0.000 0.454 124 G N 0.495 109.222 108.800 -0.122 0.000 2.418 124 G HA2 -0.269 3.694 3.960 0.004 0.000 0.217 124 G HA3 -0.269 3.694 3.960 0.004 0.000 0.217 124 G C 1.634 176.502 174.900 -0.054 0.000 1.158 124 G CA 1.311 46.367 45.100 -0.073 0.000 0.771 124 G HN 0.191 nan 8.290 nan 0.000 0.545 125 T N 1.348 115.859 114.554 -0.071 0.000 2.708 125 T HA -0.063 4.290 4.350 0.004 0.000 0.266 125 T C 2.386 177.068 174.700 -0.030 0.000 1.037 125 T CA 1.049 63.125 62.100 -0.040 0.000 1.146 125 T CB -0.166 68.677 68.868 -0.040 0.000 0.865 125 T HN 0.247 nan 8.240 nan 0.000 0.435 126 I N 1.266 121.812 120.570 -0.040 0.000 2.226 126 I HA -0.178 3.995 4.170 0.004 0.000 0.245 126 I C 2.919 179.021 176.117 -0.025 0.000 1.100 126 I CA 1.102 62.384 61.300 -0.030 0.000 1.374 126 I CB -0.487 37.494 38.000 -0.033 0.000 1.057 126 I HN 0.192 nan 8.210 nan 0.000 0.413 127 A N 0.747 123.551 122.820 -0.028 0.000 1.933 127 A HA -0.185 4.138 4.320 0.004 0.000 0.218 127 A C 2.323 179.899 177.584 -0.014 0.000 1.175 127 A CA 1.313 53.337 52.037 -0.021 0.000 0.628 127 A CB -0.409 18.578 19.000 -0.022 0.000 0.814 127 A HN 0.254 nan 8.150 nan 0.000 0.444 128 R N -0.241 120.254 120.500 -0.009 0.000 2.096 128 R HA -0.020 4.323 4.340 0.004 0.000 0.235 128 R C 2.000 178.303 176.300 0.005 0.000 1.127 128 R CA 1.122 57.225 56.100 0.004 0.000 0.968 128 R CB -0.959 29.349 30.300 0.013 0.000 0.861 128 R HN 0.607 nan 8.270 nan 0.000 0.440 129 L N 0.050 121.270 121.223 -0.005 0.000 2.072 129 L HA -0.067 4.276 4.340 0.004 0.000 0.205 129 L C 2.459 179.317 176.870 -0.020 0.000 1.079 129 L CA 1.032 55.865 54.840 -0.012 0.000 0.752 129 L CB -0.447 41.601 42.059 -0.019 0.000 0.906 129 L HN 0.051 nan 8.230 nan 0.000 0.436 130 I N 0.028 120.586 120.570 -0.021 0.000 2.226 130 I HA -0.293 3.879 4.170 0.004 0.000 0.245 130 I C 2.090 178.194 176.117 -0.022 0.000 1.100 130 I CA 1.189 62.474 61.300 -0.025 0.000 1.374 130 I CB -0.389 37.598 38.000 -0.022 0.000 1.057 130 I HN 0.271 nan 8.210 nan 0.000 0.413 131 D N 0.707 121.097 120.400 -0.016 0.000 2.117 131 D HA -0.170 4.473 4.640 0.004 0.000 0.197 131 D C 2.134 178.424 176.300 -0.017 0.000 0.987 131 D CA 0.925 54.916 54.000 -0.015 0.000 0.829 131 D CB -0.310 40.482 40.800 -0.013 0.000 0.961 131 D HN 0.156 nan 8.370 nan 0.000 0.460 132 L N 0.771 121.989 121.223 -0.008 0.000 2.017 132 L HA -0.135 4.207 4.340 0.004 0.000 0.208 132 L C 2.118 178.967 176.870 -0.035 0.000 1.073 132 L CA 1.392 56.232 54.840 -0.000 0.000 0.745 132 L CB -0.871 41.209 42.059 0.034 0.000 0.894 132 L HN 0.098 nan 8.230 nan 0.000 0.432 133 L N 0.105 121.296 121.223 -0.053 0.000 2.131 133 L HA -0.206 4.136 4.340 0.004 0.000 0.210 133 L C 2.031 178.869 176.870 -0.053 0.000 1.092 133 L CA 0.929 55.719 54.840 -0.083 0.000 0.759 133 L CB -0.559 41.452 42.059 -0.080 0.000 0.903 133 L HN 0.378 nan 8.230 nan 0.000 0.435 134 N N -0.528 118.156 118.700 -0.027 0.000 2.422 134 N HA -0.018 4.724 4.740 0.004 0.000 0.181 134 N C 0.994 176.511 175.510 0.012 0.000 1.080 134 N CA 0.450 53.496 53.050 -0.007 0.000 0.893 134 N CB 0.146 38.628 38.487 -0.008 0.000 0.973 134 N HN 0.335 nan 8.380 nan 0.000 0.456 135 S N 0.206 115.913 115.700 0.010 0.000 2.652 135 S HA 0.239 4.712 4.470 0.004 0.000 0.267 135 S C 0.781 175.446 174.600 0.108 0.000 1.201 135 S CA -0.385 57.833 58.200 0.030 0.000 0.996 135 S CB 1.294 64.490 63.200 -0.007 0.000 1.054 135 S HN -0.048 nan 8.310 nan 0.000 0.561 136 E N 0.033 120.321 120.200 0.147 0.000 2.444 136 E HA 0.340 4.693 4.350 0.004 0.000 0.191 136 E C -0.192 176.698 176.600 0.484 0.000 1.041 136 E CA -0.011 56.571 56.400 0.304 0.000 0.883 136 E CB -0.141 29.646 29.700 0.144 0.000 1.024 136 E HN 0.504 nan 8.360 nan 0.000 0.470 137 L N -0.101 121.311 121.223 0.315 0.000 2.331 137 L HA 0.750 5.093 4.340 0.004 0.000 0.268 137 L C -0.051 176.929 176.870 0.183 0.000 1.015 137 L CA -1.078 53.971 54.840 0.349 0.000 0.807 137 L CB 1.603 43.723 42.059 0.101 0.000 1.293 137 L HN -0.171 nan 8.230 nan 0.000 0.451 138 A N 1.096 124.060 122.820 0.239 0.000 2.486 138 A HA 0.802 5.124 4.320 0.004 0.000 0.300 138 A C -2.804 174.888 177.584 0.179 0.000 1.048 138 A CA -1.405 50.636 52.037 0.008 0.000 0.696 138 A CB 1.850 20.661 19.000 -0.315 0.000 1.278 138 A HN 0.368 nan 8.150 nan 0.000 0.405 139 P HA 0.365 nan 4.420 nan 0.000 0.275 139 P C -0.296 176.925 177.300 -0.132 0.000 1.228 139 P CA 0.095 63.070 63.100 -0.209 0.000 0.786 139 P CB 1.268 32.845 31.700 -0.205 0.000 0.927 140 A N 3.531 126.244 122.820 -0.177 0.000 2.391 140 A HA 0.463 4.785 4.320 0.004 0.000 0.316 140 A C -0.164 177.353 177.584 -0.112 0.000 1.381 140 A CA -0.383 51.601 52.037 -0.089 0.000 0.998 140 A CB -0.362 18.600 19.000 -0.063 0.000 1.147 140 A HN 0.358 nan 8.150 nan 0.000 0.545 141 V N 5.631 125.483 119.914 -0.102 0.000 2.540 141 V HA 0.424 4.546 4.120 0.004 0.000 0.302 141 V C -2.208 173.778 176.094 -0.179 0.000 1.035 141 V CA -1.817 60.396 62.300 -0.145 0.000 0.873 141 V CB 2.053 33.825 31.823 -0.086 0.000 0.992 141 V HN 0.808 nan 8.190 nan 0.000 0.428 142 P HA 0.065 nan 4.420 nan 0.000 0.268 142 P C 0.662 177.874 177.300 -0.146 0.000 1.205 142 P CA 0.116 63.071 63.100 -0.241 0.000 0.771 142 P CB 0.985 32.466 31.700 -0.365 0.000 0.858 143 S N 2.559 118.209 115.700 -0.083 0.000 2.496 143 S HA 0.042 4.515 4.470 0.004 0.000 0.224 143 S C 0.831 175.413 174.600 -0.029 0.000 0.996 143 S CA 0.021 58.195 58.200 -0.044 0.000 0.927 143 S CB -0.068 63.120 63.200 -0.021 0.000 0.774 143 S HN 0.409 nan 8.310 nan 0.000 0.524 144 R N -0.275 120.203 120.500 -0.036 0.000 2.787 144 R HA 0.631 4.974 4.340 0.004 0.000 0.271 144 R C 0.726 177.021 176.300 -0.009 0.000 0.993 144 R CA -0.071 56.020 56.100 -0.016 0.000 0.993 144 R CB 1.513 31.806 30.300 -0.011 0.000 1.155 144 R HN 0.307 nan 8.270 nan 0.000 0.486 145 G N 0.170 108.975 108.800 0.008 0.000 2.551 145 G HA2 -0.215 3.747 3.960 0.004 0.000 0.186 145 G HA3 -0.215 3.747 3.960 0.004 0.000 0.186 145 G C 0.045 174.959 174.900 0.024 0.000 1.002 145 G CA -0.018 45.094 45.100 0.021 0.000 0.723 145 G HN 0.611 nan 8.290 nan 0.000 0.481 146 T N 0.561 115.127 114.554 0.020 0.000 2.895 146 T HA 0.541 4.894 4.350 0.004 0.000 0.283 146 T C 1.432 176.149 174.700 0.027 0.000 1.014 146 T CA 0.419 62.531 62.100 0.020 0.000 1.037 146 T CB 1.682 70.559 68.868 0.016 0.000 1.006 146 T HN 1.125 nan 8.240 nan 0.000 0.468 147 V N 1.445 121.377 119.914 0.031 0.000 3.596 147 V HA 0.595 4.717 4.120 0.004 0.000 0.289 147 V C 1.221 177.346 176.094 0.051 0.000 1.336 147 V CA 0.204 62.529 62.300 0.042 0.000 1.137 147 V CB -1.401 30.448 31.823 0.044 0.000 0.966 147 V HN 1.383 nan 8.190 nan 0.000 0.428 153 L N -0.279 120.915 121.223 -0.049 0.000 2.012 153 L HA -0.150 4.192 4.340 0.004 0.000 0.210 153 L C 2.407 179.228 176.870 -0.081 0.000 1.073 153 L CA 1.484 56.273 54.840 -0.085 0.000 0.748 153 L CB -0.656 41.330 42.059 -0.122 0.000 0.891 153 L HN 0.097 nan 8.230 nan 0.000 0.431 154 T N 0.429 114.957 114.554 -0.044 0.000 2.652 154 T HA -0.095 4.258 4.350 0.004 0.000 0.267 154 T C -0.452 174.308 174.700 0.099 0.000 1.039 154 T CA 1.834 63.937 62.100 0.006 0.000 1.153 154 T CB -1.130 67.767 68.868 0.048 0.000 0.863 154 T HN 0.315 nan 8.240 nan 0.000 0.428 155 P HA 0.019 nan 4.420 nan 0.000 0.218 155 P C 1.581 178.908 177.300 0.045 0.000 1.149 155 P CA 0.953 64.093 63.100 0.068 0.000 0.817 155 P CB -0.205 31.502 31.700 0.011 0.000 0.785 156 L N -0.625 120.598 121.223 -0.001 0.000 2.109 156 L HA -0.073 4.269 4.340 0.004 0.000 0.207 156 L C 2.786 179.625 176.870 -0.052 0.000 1.086 156 L CA 1.314 56.137 54.840 -0.028 0.000 0.760 156 L CB -1.021 41.014 42.059 -0.039 0.000 0.910 156 L HN -0.059 nan 8.230 nan 0.000 0.437 157 A N -0.930 121.836 122.820 -0.089 0.000 1.902 157 A HA -0.229 4.093 4.320 0.004 0.000 0.217 157 A C 2.130 179.617 177.584 -0.162 0.000 1.181 157 A CA 1.308 53.246 52.037 -0.166 0.000 0.623 157 A CB -0.748 18.096 19.000 -0.260 0.000 0.818 157 A HN 0.400 nan 8.150 nan 0.000 0.443 158 H N -1.101 117.915 119.070 -0.090 0.000 2.387 158 H HA -0.121 4.437 4.556 0.004 0.000 0.299 158 H C 2.101 177.365 175.328 -0.108 0.000 1.090 158 H CA 1.830 57.825 56.048 -0.088 0.000 1.332 158 H CB -0.268 29.446 29.762 -0.081 0.000 1.386 158 H HN 0.615 nan 8.280 nan 0.000 0.516 159 M N 0.501 120.108 119.600 0.012 0.000 2.086 159 M HA -0.153 4.330 4.480 0.004 0.000 0.261 159 M C 2.151 178.412 176.300 -0.066 0.000 1.067 159 M CA 1.326 56.596 55.300 -0.050 0.000 1.116 159 M CB -0.182 32.393 32.600 -0.042 0.000 1.348 159 M HN -0.008 nan 8.290 nan 0.000 0.407 160 V N 1.472 121.350 119.914 -0.060 0.000 2.252 160 V HA -0.326 3.797 4.120 0.004 0.000 0.249 160 V C 2.489 178.551 176.094 -0.054 0.000 1.056 160 V CA 2.066 64.332 62.300 -0.056 0.000 1.022 160 V CB -0.798 30.980 31.823 -0.075 0.000 0.641 160 V HN 0.561 nan 8.190 nan 0.000 0.445 161 L N -0.959 120.223 121.223 -0.069 0.000 2.042 161 L HA -0.256 4.086 4.340 0.004 0.000 0.210 161 L C 2.643 179.475 176.870 -0.064 0.000 1.076 161 L CA 1.731 56.541 54.840 -0.052 0.000 0.749 161 L CB -0.770 41.256 42.059 -0.055 0.000 0.893 161 L HN 0.420 nan 8.230 nan 0.000 0.432 162 C N -0.171 119.047 119.300 -0.136 0.000 2.432 162 C HA -0.151 4.312 4.460 0.004 0.000 0.277 162 C C 2.645 177.536 174.990 -0.166 0.000 1.249 162 C CA 0.458 59.283 59.018 -0.321 0.000 1.725 162 C CB -0.809 26.599 27.740 -0.554 0.000 2.028 162 C HN 0.440 nan 8.230 nan 0.000 0.477 163 L N 0.325 121.531 121.223 -0.029 0.000 2.456 163 L HA -0.150 4.192 4.340 0.004 0.000 0.224 163 L C 2.297 179.241 176.870 0.123 0.000 1.148 163 L CA 1.189 56.110 54.840 0.136 0.000 0.825 163 L CB -0.622 41.482 42.059 0.076 0.000 0.937 163 L HN 0.542 nan 8.230 nan 0.000 0.450 164 Q N -0.469 119.372 119.800 0.069 0.000 2.319 164 Q HA 0.147 4.490 4.340 0.004 0.000 0.202 164 Q C 1.340 177.391 176.000 0.085 0.000 0.896 164 Q CA 0.480 56.320 55.803 0.063 0.000 0.942 164 Q CB 0.812 29.568 28.738 0.030 0.000 1.083 164 Q HN 0.528 nan 8.270 nan 0.000 0.510 165 G N 1.890 110.769 108.800 0.131 0.000 2.143 165 G HA2 -0.316 3.646 3.960 0.004 0.000 0.249 165 G HA3 -0.316 3.646 3.960 0.004 0.000 0.249 165 G C 0.601 175.555 174.900 0.091 0.000 0.981 165 G CA 0.146 45.341 45.100 0.158 0.000 0.665 165 G HN 0.322 nan 8.290 nan 0.000 0.528 166 R N 0.119 120.646 120.500 0.045 0.000 2.466 166 R HA 0.461 4.803 4.340 0.004 0.000 0.279 166 R C 1.034 177.333 176.300 -0.001 0.000 0.976 166 R CA 0.515 56.630 56.100 0.026 0.000 1.081 166 R CB 0.757 31.074 30.300 0.028 0.000 1.215 166 R HN 0.512 nan 8.270 nan 0.000 0.546 167 G N -0.337 108.441 108.800 -0.037 0.000 2.704 167 G HA2 0.231 4.194 3.960 0.004 0.000 0.293 167 G HA3 0.231 4.194 3.960 0.004 0.000 0.293 167 G C -1.475 173.336 174.900 -0.149 0.000 1.421 167 G CA -0.665 44.383 45.100 -0.087 0.000 0.870 167 G HN -0.128 nan 8.290 nan 0.000 0.492 168 D N -0.503 119.827 120.400 -0.116 0.000 2.360 168 D HA 0.558 5.201 4.640 0.004 0.000 0.242 168 D C -0.500 175.664 176.300 -0.227 0.000 1.184 168 D CA 0.544 54.504 54.000 -0.065 0.000 0.930 168 D CB 0.898 41.696 40.800 -0.003 0.000 1.161 168 D HN 0.086 nan 8.370 nan 0.000 0.447 169 F N -0.512 119.464 119.950 0.044 0.000 2.598 169 F HA 0.517 5.047 4.527 0.005 0.000 0.327 169 F C -0.118 175.731 175.800 0.081 0.000 1.057 169 F CA -0.875 57.159 58.000 0.057 0.000 0.957 169 F CB 1.202 40.237 39.000 0.058 0.000 1.278 169 F HN -0.063 nan 8.300 nan 0.000 0.484 170 L N 1.485 122.917 121.223 0.350 0.000 2.362 170 L HA 0.433 4.776 4.340 0.004 0.000 0.271 170 L C -1.033 176.066 176.870 0.381 0.000 1.002 170 L CA -1.034 53.986 54.840 0.300 0.000 0.818 170 L CB 1.934 44.172 42.059 0.297 0.000 1.298 170 L HN 0.610 nan 8.230 nan 0.000 0.420 171 D N 0.874 121.392 120.400 0.196 0.000 2.478 171 D HA 0.238 4.881 4.640 0.004 0.000 0.263 171 D C 0.816 176.938 176.300 -0.297 0.000 1.153 171 D CA -0.630 53.401 54.000 0.052 0.000 1.038 171 D CB 0.784 41.573 40.800 -0.018 0.000 1.120 171 D HN 0.303 nan 8.370 nan 0.000 0.564 172 R N -0.635 119.427 120.500 -0.730 0.000 2.170 172 R HA -0.105 4.238 4.340 0.004 0.000 0.242 172 R C 0.613 176.584 176.300 -0.547 0.000 1.145 172 R CA 1.470 56.840 56.100 -1.215 0.000 0.984 172 R CB -0.203 29.494 30.300 -1.005 0.000 0.869 172 R HN 0.533 nan 8.270 nan 0.000 0.455 173 D N -1.312 118.915 120.400 -0.289 0.000 2.348 173 D HA 0.040 4.683 4.640 0.004 0.000 0.211 173 D C 1.222 177.485 176.300 -0.063 0.000 0.998 173 D CA 1.062 54.975 54.000 -0.144 0.000 0.873 173 D CB 0.695 41.434 40.800 -0.101 0.000 0.925 173 D HN 0.455 nan 8.370 nan 0.000 0.524 174 G N 1.414 110.196 108.800 -0.030 0.000 2.176 174 G HA2 -0.257 3.706 3.960 0.004 0.000 0.232 174 G HA3 -0.257 3.706 3.960 0.004 0.000 0.232 174 G C 0.621 175.547 174.900 0.043 0.000 0.986 174 G CA 0.396 45.521 45.100 0.042 0.000 0.643 174 G HN 0.427 nan 8.290 nan 0.000 0.522 175 T N -0.366 114.202 114.554 0.024 0.000 2.870 175 T HA 0.610 4.963 4.350 0.004 0.000 0.300 175 T C 0.538 175.274 174.700 0.060 0.000 0.989 175 T CA -0.272 61.846 62.100 0.030 0.000 1.139 175 T CB 1.237 70.112 68.868 0.012 0.000 0.920 175 T HN 0.514 nan 8.240 nan 0.000 0.537 176 R N 2.320 122.855 120.500 0.060 0.000 2.410 176 R HA 0.593 4.935 4.340 0.004 0.000 0.288 176 R C -0.354 175.998 176.300 0.087 0.000 1.051 176 R CA -0.666 55.483 56.100 0.081 0.000 1.021 176 R CB 0.752 31.087 30.300 0.058 0.000 1.032 176 R HN 0.600 nan 8.270 nan 0.000 0.481 177 L N 1.957 123.259 121.223 0.131 0.000 2.362 177 L HA 0.305 4.648 4.340 0.004 0.000 0.271 177 L C -0.267 176.702 176.870 0.166 0.000 1.002 177 L CA -1.292 53.629 54.840 0.134 0.000 0.818 177 L CB 1.928 44.075 42.059 0.146 0.000 1.298 177 L HN 0.681 nan 8.230 nan 0.000 0.420 178 D N 1.262 121.737 120.400 0.124 0.000 2.361 178 D HA 0.095 4.737 4.640 0.004 0.000 0.239 178 D C 1.294 177.715 176.300 0.202 0.000 1.200 178 D CA 0.043 54.117 54.000 0.123 0.000 0.915 178 D CB 1.036 41.883 40.800 0.079 0.000 1.170 178 D HN 0.581 nan 8.370 nan 0.000 0.444 179 G N 0.408 109.321 108.800 0.188 0.000 2.529 179 G HA2 -0.299 3.664 3.960 0.004 0.000 0.219 179 G HA3 -0.299 3.664 3.960 0.004 0.000 0.219 179 G C 1.511 176.557 174.900 0.243 0.000 1.177 179 G CA 1.789 47.054 45.100 0.276 0.000 0.773 179 G HN 0.732 nan 8.290 nan 0.000 0.573 180 A N 0.587 123.487 122.820 0.132 0.000 1.908 180 A HA -0.060 4.262 4.320 0.004 0.000 0.218 180 A C 2.224 179.838 177.584 0.049 0.000 1.181 180 A CA 2.339 54.424 52.037 0.080 0.000 0.627 180 A CB -0.476 18.557 19.000 0.055 0.000 0.818 180 A HN 0.421 nan 8.150 nan 0.000 0.445 181 E N 0.127 120.361 120.200 0.056 0.000 2.110 181 E HA -0.043 4.310 4.350 0.004 0.000 0.193 181 E C 1.945 178.525 176.600 -0.033 0.000 0.988 181 E CA 1.524 57.937 56.400 0.022 0.000 0.804 181 E CB -0.805 28.919 29.700 0.040 0.000 0.745 181 E HN 0.410 nan 8.360 nan 0.000 0.458 182 G N 0.670 109.450 108.800 -0.034 0.000 2.404 182 G HA2 -0.208 3.755 3.960 0.004 0.000 0.215 182 G HA3 -0.208 3.755 3.960 0.004 0.000 0.215 182 G C 1.605 176.198 174.900 -0.512 0.000 1.174 182 G CA 0.882 45.749 45.100 -0.389 0.000 0.780 182 G HN 0.310 nan 8.290 nan 0.000 0.537 183 L N -0.091 120.957 121.223 -0.290 0.000 2.083 183 L HA -0.059 4.283 4.340 0.004 0.000 0.209 183 L C 2.905 179.697 176.870 -0.129 0.000 1.083 183 L CA 1.361 56.091 54.840 -0.184 0.000 0.752 183 L CB -0.438 41.604 42.059 -0.028 0.000 0.899 183 L HN 0.215 nan 8.230 nan 0.000 0.433 184 R N 0.607 121.053 120.500 -0.089 0.000 2.075 184 R HA -0.199 4.143 4.340 0.004 0.000 0.230 184 R C 2.553 178.810 176.300 -0.071 0.000 1.140 184 R CA 1.740 57.805 56.100 -0.059 0.000 0.928 184 R CB -0.261 30.019 30.300 -0.033 0.000 0.834 184 R HN 0.143 nan 8.270 nan 0.000 0.429 185 R N -0.522 119.929 120.500 -0.082 0.000 2.096 185 R HA -0.115 4.227 4.340 0.004 0.000 0.240 185 R C 1.934 178.184 176.300 -0.084 0.000 1.139 185 R CA 1.963 58.020 56.100 -0.072 0.000 0.952 185 R CB -0.606 29.654 30.300 -0.067 0.000 0.854 185 R HN 0.467 nan 8.270 nan 0.000 0.436 186 G N -0.449 108.268 108.800 -0.139 0.000 2.985 186 G HA2 -0.052 3.911 3.960 0.004 0.000 0.209 186 G HA3 -0.052 3.911 3.960 0.004 0.000 0.209 186 G C -0.190 174.652 174.900 -0.096 0.000 1.165 186 G CA -0.184 44.840 45.100 -0.126 0.000 0.776 186 G HN 0.368 nan 8.290 nan 0.000 0.541 187 R N -1.100 119.349 120.500 -0.085 0.000 3.264 187 R HA -0.137 4.206 4.340 0.004 0.000 0.251 187 R C -0.725 175.541 176.300 -0.057 0.000 0.971 187 R CA 0.301 56.366 56.100 -0.057 0.000 0.658 187 R CB -2.188 28.090 30.300 -0.038 0.000 1.095 187 R HN 0.337 nan 8.270 nan 0.000 0.443 188 L N 0.874 122.051 121.223 -0.077 0.000 2.317 188 L HA 0.348 4.691 4.340 0.004 0.000 0.281 188 L C 0.726 177.582 176.870 -0.023 0.000 1.024 188 L CA -0.742 54.064 54.840 -0.056 0.000 0.810 188 L CB 1.790 43.794 42.059 -0.092 0.000 1.240 188 L HN 0.112 nan 8.230 nan 0.000 0.427 189 Q N 3.829 123.628 119.800 -0.003 0.000 2.235 189 Q HA 0.317 4.659 4.340 0.004 0.000 0.250 189 Q C -2.222 173.795 176.000 0.029 0.000 0.909 189 Q CA -1.901 53.908 55.803 0.010 0.000 0.910 189 Q CB 1.196 29.939 28.738 0.009 0.000 1.223 189 Q HN 0.333 nan 8.270 nan 0.000 0.432 190 P HA -0.081 nan 4.420 nan 0.000 0.264 190 P C -0.595 176.732 177.300 0.044 0.000 1.193 190 P CA -0.260 62.870 63.100 0.051 0.000 0.763 190 P CB 0.490 32.218 31.700 0.046 0.000 0.810 191 L N 3.394 124.647 121.223 0.049 0.000 2.513 191 L HA 0.111 4.454 4.340 0.004 0.000 0.272 191 L C -0.031 176.858 176.870 0.032 0.000 1.187 191 L CA 0.693 55.555 54.840 0.036 0.000 0.895 191 L CB -0.636 41.442 42.059 0.031 0.000 1.147 191 L HN 0.318 nan 8.230 nan 0.000 0.483 192 D N 4.385 124.807 120.400 0.037 0.000 2.440 192 D HA 0.268 4.910 4.640 0.004 0.000 0.239 192 D C -0.106 176.235 176.300 0.069 0.000 1.084 192 D CA -0.204 53.825 54.000 0.049 0.000 0.843 192 D CB 0.718 41.555 40.800 0.062 0.000 1.097 192 D HN 0.607 nan 8.370 nan 0.000 0.531 193 L N 3.230 124.485 121.223 0.053 0.000 2.783 193 L HA 0.130 4.473 4.340 0.004 0.000 0.236 193 L C 1.849 178.762 176.870 0.073 0.000 1.225 193 L CA -0.154 54.723 54.840 0.062 0.000 1.026 193 L CB -0.212 41.861 42.059 0.023 0.000 1.314 193 L HN 0.420 nan 8.230 nan 0.000 0.489 194 S N -2.035 113.713 115.700 0.081 0.000 2.442 194 S HA -0.214 4.259 4.470 0.004 0.000 0.236 194 S C 1.476 176.039 174.600 -0.062 0.000 1.007 194 S CA 0.969 59.166 58.200 -0.005 0.000 0.965 194 S CB -0.427 62.739 63.200 -0.057 0.000 0.773 194 S HN 0.533 nan 8.310 nan 0.000 0.504 195 H N 1.540 120.605 119.070 -0.009 0.000 2.556 195 H HA 0.352 4.911 4.556 0.004 0.000 0.268 195 H C 0.590 175.910 175.328 -0.013 0.000 0.996 195 H CA 0.484 56.523 56.048 -0.015 0.000 1.157 195 H CB -0.131 29.620 29.762 -0.019 0.000 1.355 195 H HN 0.394 nan 8.280 nan 0.000 0.597 196 R N 0.793 121.345 120.500 0.086 0.000 3.532 196 R HA -0.128 4.215 4.340 0.004 0.000 0.284 196 R C -0.794 175.553 176.300 0.078 0.000 1.140 196 R CA 0.827 56.964 56.100 0.062 0.000 0.768 196 R CB -1.916 28.407 30.300 0.038 0.000 1.252 196 R HN 0.516 nan 8.270 nan 0.000 0.454 197 D N -0.996 119.455 120.400 0.084 0.000 2.525 197 D HA 0.249 4.891 4.640 0.004 0.000 0.229 197 D C 1.216 177.556 176.300 0.068 0.000 1.202 197 D CA 0.281 54.327 54.000 0.077 0.000 0.828 197 D CB 0.364 41.195 40.800 0.051 0.000 1.008 197 D HN 0.290 nan 8.370 nan 0.000 0.493 198 A N 0.574 123.431 122.820 0.062 0.000 1.972 198 A HA -0.076 4.247 4.320 0.004 0.000 0.219 198 A C 2.145 179.752 177.584 0.040 0.000 1.169 198 A CA 0.670 52.726 52.037 0.032 0.000 0.635 198 A CB -0.614 18.393 19.000 0.011 0.000 0.810 198 A HN 0.377 nan 8.150 nan 0.000 0.446 199 L N -0.947 120.331 121.223 0.092 0.000 2.456 199 L HA -0.125 4.217 4.340 0.004 0.000 0.224 199 L C 2.750 179.676 176.870 0.094 0.000 1.148 199 L CA 0.618 55.524 54.840 0.111 0.000 0.825 199 L CB -0.404 41.770 42.059 0.192 0.000 0.937 199 L HN 0.479 nan 8.230 nan 0.000 0.450 200 A N -0.317 122.555 122.820 0.087 0.000 2.067 200 A HA 0.010 4.332 4.320 0.004 0.000 0.217 200 A C 2.108 179.713 177.584 0.034 0.000 1.156 200 A CA 0.800 52.880 52.037 0.072 0.000 0.683 200 A CB -0.074 18.968 19.000 0.070 0.000 0.808 200 A HN 0.392 nan 8.150 nan 0.000 0.455 201 L N -1.031 120.203 121.223 0.018 0.000 2.357 201 L HA 0.119 4.462 4.340 0.004 0.000 0.211 201 L C 0.024 176.882 176.870 -0.019 0.000 1.075 201 L CA 0.238 55.075 54.840 -0.005 0.000 0.830 201 L CB 0.299 42.349 42.059 -0.015 0.000 0.996 201 L HN 0.048 nan 8.230 nan 0.000 0.467 202 V N 1.902 121.800 119.914 -0.027 0.000 2.247 202 V HA 0.390 4.513 4.120 0.004 0.000 0.262 202 V C -0.471 175.607 176.094 -0.026 0.000 1.096 202 V CA -0.246 62.022 62.300 -0.054 0.000 0.895 202 V CB -0.084 31.672 31.823 -0.112 0.000 1.141 202 V HN 0.327 nan 8.190 nan 0.000 0.478 203 N N 1.977 120.672 118.700 -0.009 0.000 3.348 203 N HA 0.490 5.233 4.740 0.004 0.000 0.233 203 N C -0.051 175.481 175.510 0.036 0.000 1.440 203 N CA 0.576 53.638 53.050 0.019 0.000 0.887 203 N CB 2.194 40.710 38.487 0.048 0.000 1.410 203 N HN 0.776 nan 8.380 nan 0.000 0.502 204 G N -0.021 108.832 108.800 0.088 0.000 2.697 204 G HA2 -0.246 3.717 3.960 0.004 0.000 0.240 204 G HA3 -0.246 3.717 3.960 0.004 0.000 0.240 204 G C 0.245 175.191 174.900 0.076 0.000 1.346 204 G CA 0.494 45.652 45.100 0.096 0.000 0.887 204 G HN 1.205 nan 8.290 nan 0.000 0.569 205 T N -2.915 111.670 114.554 0.052 0.000 3.258 205 T HA 0.557 4.909 4.350 0.004 0.000 0.263 205 T C 1.843 176.550 174.700 0.011 0.000 0.983 205 T CA 0.928 63.050 62.100 0.037 0.000 0.907 205 T CB 0.354 69.241 68.868 0.032 0.000 1.096 205 T HN 0.837 nan 8.240 nan 0.000 0.556 206 S N 1.812 117.515 115.700 0.005 0.000 2.374 206 S HA -0.102 4.371 4.470 0.004 0.000 0.227 206 S C 2.488 177.082 174.600 -0.012 0.000 1.037 206 S CA 1.336 59.530 58.200 -0.010 0.000 1.024 206 S CB -0.667 62.524 63.200 -0.015 0.000 0.861 206 S HN 0.838 nan 8.310 nan 0.000 0.456 207 A N 2.703 125.520 122.820 -0.005 0.000 1.855 207 A HA -0.102 4.220 4.320 0.004 0.000 0.215 207 A C 2.301 179.888 177.584 0.005 0.000 1.191 207 A CA 1.849 53.884 52.037 -0.004 0.000 0.613 207 A CB -0.832 18.167 19.000 -0.000 0.000 0.829 207 A HN 0.666 nan 8.150 nan 0.000 0.442 208 M N -1.482 118.126 119.600 0.013 0.000 2.159 208 M HA -0.096 4.387 4.480 0.004 0.000 0.263 208 M C 1.840 178.148 176.300 0.014 0.000 1.063 208 M CA 2.342 57.654 55.300 0.020 0.000 1.110 208 M CB -1.363 31.252 32.600 0.025 0.000 1.374 208 M HN 0.168 nan 8.290 nan 0.000 0.411 209 T N 1.168 115.721 114.554 -0.002 0.000 2.777 209 T HA -0.007 4.345 4.350 0.004 0.000 0.266 209 T C 1.983 176.680 174.700 -0.005 0.000 1.040 209 T CA 1.709 63.799 62.100 -0.017 0.000 1.141 209 T CB -0.809 68.040 68.868 -0.031 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.259 110.054 108.800 -0.007 0.000 2.418 210 G HA2 -0.133 3.829 3.960 0.004 0.000 0.217 210 G HA3 -0.133 3.829 3.960 0.004 0.000 0.217 210 G C 1.532 176.445 174.900 0.021 0.000 1.158 210 G CA 0.511 45.607 45.100 -0.007 0.000 0.771 210 G HN 0.487 nan 8.290 nan 0.000 0.545 211 I N 1.379 121.967 120.570 0.030 0.000 2.226 211 I HA -0.160 4.013 4.170 0.004 0.000 0.245 211 I C 3.264 179.433 176.117 0.087 0.000 1.100 211 I CA 1.021 62.354 61.300 0.055 0.000 1.374 211 I CB -0.189 37.841 38.000 0.050 0.000 1.057 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.215 124.088 122.820 0.089 0.000 1.969 212 A HA -0.162 4.161 4.320 0.004 0.000 0.218 212 A C 2.233 179.921 177.584 0.173 0.000 1.169 212 A CA 1.693 53.820 52.037 0.151 0.000 0.635 212 A CB -0.771 18.292 19.000 0.105 0.000 0.810 212 A HN 0.513 nan 8.150 nan 0.000 0.445 213 L N -2.061 119.227 121.223 0.108 0.000 2.156 213 L HA 0.024 4.366 4.340 0.004 0.000 0.208 213 L C 1.930 178.909 176.870 0.182 0.000 1.095 213 L CA 1.538 56.450 54.840 0.121 0.000 0.770 213 L CB -1.071 41.026 42.059 0.065 0.000 0.914 213 L HN -0.002 nan 8.230 nan 0.000 0.439 214 V N 0.775 120.797 119.914 0.180 0.000 2.453 214 V HA -0.141 3.982 4.120 0.004 0.000 0.247 214 V C 2.432 178.646 176.094 0.201 0.000 1.048 214 V CA 1.585 64.030 62.300 0.241 0.000 1.049 214 V CB -0.947 30.986 31.823 0.184 0.000 0.672 214 V HN 0.496 nan 8.190 nan 0.000 0.457 215 N N 0.934 119.729 118.700 0.159 0.000 2.120 215 N HA -0.119 4.624 4.740 0.004 0.000 0.188 215 N C 1.934 177.499 175.510 0.092 0.000 1.024 215 N CA 1.681 54.802 53.050 0.118 0.000 0.852 215 N CB -0.540 38.004 38.487 0.094 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.393 123.295 122.820 0.138 0.000 1.883 216 A HA -0.223 4.099 4.320 0.004 0.000 0.217 216 A C 2.126 179.733 177.584 0.039 0.000 1.186 216 A CA 1.932 54.034 52.037 0.107 0.000 0.624 216 A CB -0.999 18.118 19.000 0.196 0.000 0.822 216 A HN 0.454 nan 8.150 nan 0.000 0.444 217 H N -0.253 118.783 119.070 -0.056 0.000 2.321 217 H HA 0.046 4.605 4.556 0.004 0.000 0.300 217 H C 2.219 177.472 175.328 -0.124 0.000 1.087 217 H CA 1.980 57.909 56.048 -0.199 0.000 1.319 217 H CB -0.249 29.234 29.762 -0.465 0.000 1.379 217 H HN 0.399 nan 8.280 nan 0.000 0.501 218 A N -0.425 122.425 122.820 0.050 0.000 1.933 218 A HA -0.178 4.145 4.320 0.004 0.000 0.218 218 A C 2.704 180.283 177.584 -0.008 0.000 1.175 218 A CA 1.479 53.551 52.037 0.059 0.000 0.628 218 A CB -1.198 17.867 19.000 0.108 0.000 0.814 218 A HN 0.645 nan 8.150 nan 0.000 0.444 219 C N -1.338 117.970 119.300 0.014 0.000 2.435 219 C HA -0.023 4.440 4.460 0.004 0.000 0.279 219 C C 2.781 177.750 174.990 -0.035 0.000 1.321 219 C CA 1.098 60.163 59.018 0.078 0.000 1.752 219 C CB -1.301 26.515 27.740 0.126 0.000 1.959 219 C HN 0.735 nan 8.230 nan 0.000 0.500 220 R N -0.036 120.347 120.500 -0.194 0.000 2.073 220 R HA -0.142 4.201 4.340 0.004 0.000 0.234 220 R C 2.252 178.348 176.300 -0.340 0.000 1.134 220 R CA 1.634 57.535 56.100 -0.332 0.000 0.952 220 R CB -0.439 29.563 30.300 -0.497 0.000 0.850 220 R HN 0.604 nan 8.270 nan 0.000 0.433 221 H N 0.513 119.450 119.070 -0.222 0.000 2.357 221 H HA -0.092 4.467 4.556 0.004 0.000 0.301 221 H C 2.198 177.508 175.328 -0.030 0.000 1.082 221 H CA 1.647 57.611 56.048 -0.140 0.000 1.342 221 H CB -0.204 29.479 29.762 -0.132 0.000 1.389 221 H HN 0.253 nan 8.280 nan 0.000 0.511 222 L N -0.205 120.984 121.223 -0.057 0.000 2.083 222 L HA -0.081 4.262 4.340 0.004 0.000 0.209 222 L C 2.776 179.488 176.870 -0.264 0.000 1.083 222 L CA 1.041 55.664 54.840 -0.363 0.000 0.752 222 L CB -0.801 40.645 42.059 -1.021 0.000 0.899 222 L HN 0.298 nan 8.230 nan 0.000 0.433 223 G N 0.002 108.776 108.800 -0.043 0.000 2.422 223 G HA2 -0.262 3.701 3.960 0.004 0.000 0.218 223 G HA3 -0.262 3.701 3.960 0.004 0.000 0.218 223 G C 1.396 176.380 174.900 0.140 0.000 1.146 223 G CA 0.602 45.852 45.100 0.251 0.000 0.769 223 G HN 0.321 nan 8.290 nan 0.000 0.547 224 N N 0.029 118.705 118.700 -0.040 0.000 2.188 224 N HA -0.079 4.664 4.740 0.004 0.000 0.184 224 N C 1.826 177.249 175.510 -0.145 0.000 1.018 224 N CA 0.815 53.787 53.050 -0.130 0.000 0.858 224 N CB -0.327 38.019 38.487 -0.235 0.000 0.989 224 N HN 0.591 nan 8.380 nan 0.000 0.426 225 W N 1.570 122.825 121.300 -0.076 0.000 2.418 225 W HA 0.087 4.750 4.660 0.005 0.000 0.292 225 W C 2.471 178.968 176.519 -0.038 0.000 1.213 225 W CA 1.024 58.322 57.345 -0.079 0.000 1.283 225 W CB -0.344 29.025 29.460 -0.152 0.000 1.119 225 W HN 0.024 nan 8.180 nan 0.000 0.542 226 A N -0.157 122.789 122.820 0.210 0.000 1.902 226 A HA -0.173 4.149 4.320 0.004 0.000 0.217 226 A C 1.982 179.655 177.584 0.148 0.000 1.181 226 A CA 2.133 54.306 52.037 0.226 0.000 0.623 226 A CB -1.072 18.157 19.000 0.381 0.000 0.818 226 A HN 0.094 nan 8.150 nan 0.000 0.443 227 V N -0.348 119.639 119.914 0.121 0.000 2.323 227 V HA -0.184 3.938 4.120 0.004 0.000 0.244 227 V C 3.063 179.144 176.094 -0.021 0.000 1.041 227 V CA 1.839 64.153 62.300 0.024 0.000 1.025 227 V CB -1.194 30.650 31.823 0.035 0.000 0.656 227 V HN 0.604 nan 8.190 nan 0.000 0.451 228 A N -0.255 122.546 122.820 -0.032 0.000 1.933 228 A HA -0.146 4.177 4.320 0.004 0.000 0.218 228 A C 2.191 179.799 177.584 0.040 0.000 1.175 228 A CA 1.756 53.764 52.037 -0.048 0.000 0.628 228 A CB -0.510 18.378 19.000 -0.186 0.000 0.814 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 L N -1.123 120.163 121.223 0.104 0.000 2.156 229 L HA -0.098 4.244 4.340 0.004 0.000 0.208 229 L C 2.678 179.613 176.870 0.107 0.000 1.095 229 L CA 1.502 56.419 54.840 0.129 0.000 0.770 229 L CB -0.859 41.298 42.059 0.163 0.000 0.914 229 L HN 0.311 nan 8.230 nan 0.000 0.439 230 T N 0.165 114.772 114.554 0.089 0.000 2.746 230 T HA -0.142 4.210 4.350 0.004 0.000 0.267 230 T C 2.049 176.854 174.700 0.174 0.000 1.039 230 T CA 1.334 63.496 62.100 0.103 0.000 1.142 230 T CB -0.137 68.738 68.868 0.011 0.000 0.866 230 T HN 0.431 nan 8.240 nan 0.000 0.444 231 A N 1.264 124.150 122.820 0.111 0.000 1.902 231 A HA -0.000 4.323 4.320 0.004 0.000 0.217 231 A C 2.202 179.906 177.584 0.200 0.000 1.181 231 A CA 1.187 53.353 52.037 0.215 0.000 0.623 231 A CB -0.782 18.281 19.000 0.104 0.000 0.818 231 A HN 0.402 nan 8.150 nan 0.000 0.443 232 L N -0.793 120.506 121.223 0.127 0.000 2.141 232 L HA -0.060 4.283 4.340 0.004 0.000 0.209 232 L C 2.159 179.089 176.870 0.099 0.000 1.094 232 L CA 1.652 56.552 54.840 0.101 0.000 0.763 232 L CB -0.623 41.486 42.059 0.083 0.000 0.908 232 L HN 0.373 nan 8.230 nan 0.000 0.437 233 L N -0.150 121.142 121.223 0.116 0.000 2.046 233 L HA -0.079 4.264 4.340 0.004 0.000 0.208 233 L C 2.496 179.427 176.870 0.102 0.000 1.077 233 L CA 2.044 56.944 54.840 0.100 0.000 0.747 233 L CB -1.021 41.107 42.059 0.115 0.000 0.896 233 L HN 0.248 nan 8.230 nan 0.000 0.432 234 A N -0.860 122.055 122.820 0.157 0.000 1.933 234 A HA -0.210 4.113 4.320 0.004 0.000 0.218 234 A C 2.126 179.738 177.584 0.047 0.000 1.175 234 A CA 1.787 53.881 52.037 0.095 0.000 0.628 234 A CB -0.607 18.465 19.000 0.120 0.000 0.814 234 A HN 0.640 nan 8.150 nan 0.000 0.444 235 E N -1.209 119.034 120.200 0.071 0.000 2.347 235 E HA -0.101 4.251 4.350 0.004 0.000 0.196 235 E C 1.456 178.075 176.600 0.032 0.000 1.008 235 E CA 0.836 57.264 56.400 0.046 0.000 0.852 235 E CB -0.208 29.526 29.700 0.057 0.000 0.783 235 E HN 0.676 nan 8.360 nan 0.000 0.505 236 C N -0.044 119.276 119.300 0.034 0.000 2.780 236 C HA 0.200 4.663 4.460 0.004 0.000 0.267 236 C C 1.604 176.601 174.990 0.011 0.000 1.266 236 C CA -0.064 58.967 59.018 0.021 0.000 1.709 236 C CB -0.133 27.618 27.740 0.020 0.000 1.975 236 C HN 0.312 nan 8.230 nan 0.000 0.582 237 L N -0.065 121.165 121.223 0.012 0.000 3.267 237 L HA 0.288 4.631 4.340 0.004 0.000 0.289 237 L C 0.283 177.147 176.870 -0.011 0.000 1.260 237 L CA -0.092 54.749 54.840 0.002 0.000 1.034 237 L CB -0.227 41.837 42.059 0.009 0.000 1.413 237 L HN 0.211 nan 8.230 nan 0.000 0.594 238 R N 0.649 121.142 120.500 -0.013 0.000 3.333 238 R HA -0.154 4.188 4.340 0.004 0.000 0.256 238 R C 0.669 176.938 176.300 -0.053 0.000 1.010 238 R CA 0.481 56.566 56.100 -0.026 0.000 0.680 238 R CB -1.893 28.393 30.300 -0.022 0.000 1.102 238 R HN 0.503 nan 8.270 nan 0.000 0.440 239 G N 0.709 109.464 108.800 -0.074 0.000 2.491 239 G HA2 0.189 4.152 3.960 0.004 0.000 0.242 239 G HA3 0.189 4.152 3.960 0.004 0.000 0.242 239 G C 0.075 174.834 174.900 -0.234 0.000 1.266 239 G CA -0.555 44.457 45.100 -0.148 0.000 0.844 239 G HN 0.242 nan 8.290 nan 0.000 0.571 240 R N 0.668 121.001 120.500 -0.279 0.000 2.234 240 R HA 0.228 4.571 4.340 0.004 0.000 0.324 240 R C 1.604 177.598 176.300 -0.510 0.000 1.054 240 R CA 0.231 56.161 56.100 -0.283 0.000 0.912 240 R CB 0.870 31.063 30.300 -0.180 0.000 1.030 240 R HN 0.707 nan 8.270 nan 0.000 0.455 241 T N -1.134 113.172 114.554 -0.413 0.000 3.055 241 T HA -0.123 4.229 4.350 0.004 0.000 0.265 241 T C 1.397 175.947 174.700 -0.250 0.000 1.111 241 T CA 0.844 62.676 62.100 -0.447 0.000 1.118 241 T CB -0.028 68.729 68.868 -0.185 0.000 0.909 241 T HN 0.742 nan 8.240 nan 0.000 0.501 242 E N 1.765 121.860 120.200 -0.174 0.000 2.265 242 E HA -0.006 4.347 4.350 0.004 0.000 0.196 242 E C 2.212 178.784 176.600 -0.047 0.000 0.996 242 E CA 0.892 57.247 56.400 -0.075 0.000 0.832 242 E CB -0.557 29.114 29.700 -0.049 0.000 0.756 242 E HN 0.607 nan 8.360 nan 0.000 0.491 243 A N 0.782 123.526 122.820 -0.126 0.000 2.121 243 A HA -0.082 4.241 4.320 0.004 0.000 0.218 243 A C 0.935 178.662 177.584 0.238 0.000 1.154 243 A CA 0.625 52.658 52.037 -0.006 0.000 0.679 243 A CB -0.584 18.378 19.000 -0.063 0.000 0.795 243 A HN 0.488 nan 8.150 nan 0.000 0.458 244 W N -0.324 120.977 121.300 0.001 0.000 3.239 244 W HA 0.608 5.271 4.660 0.004 0.000 0.368 244 W C 0.789 177.310 176.519 0.003 0.000 1.154 244 W CA -1.113 56.233 57.345 0.003 0.000 1.860 244 W CB -1.356 28.109 29.460 0.008 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.845 123.776 122.820 0.184 0.000 2.498 245 A HA 0.437 4.759 4.320 0.004 0.000 0.239 245 A C 1.670 179.307 177.584 0.088 0.000 1.068 245 A CA 0.706 52.807 52.037 0.107 0.000 0.766 245 A CB 0.595 19.631 19.000 0.060 0.000 1.003 245 A HN 0.253 nan 8.150 nan 0.000 0.497 246 A N 2.317 125.177 122.820 0.066 0.000 1.972 246 A HA 0.144 4.466 4.320 0.004 0.000 0.219 246 A C 2.353 179.958 177.584 0.034 0.000 1.169 246 A CA 2.169 54.234 52.037 0.047 0.000 0.635 246 A CB -0.960 18.061 19.000 0.036 0.000 0.810 246 A HN 1.750 nan 8.150 nan 0.000 0.446 247 A N -0.185 122.653 122.820 0.030 0.000 1.940 247 A HA -0.099 4.223 4.320 0.004 0.000 0.219 247 A C 2.139 179.734 177.584 0.019 0.000 1.176 247 A CA 1.573 53.621 52.037 0.020 0.000 0.631 247 A CB -0.554 18.455 19.000 0.016 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.694 120.547 121.223 0.030 0.000 2.093 248 L HA -0.131 4.211 4.340 0.004 0.000 0.208 248 L C 2.828 179.712 176.870 0.023 0.000 1.085 248 L CA 1.319 56.175 54.840 0.028 0.000 0.755 248 L CB -0.414 41.671 42.059 0.044 0.000 0.904 248 L HN 0.332 nan 8.230 nan 0.000 0.435 249 S N -0.235 115.483 115.700 0.030 0.000 2.368 249 S HA -0.188 4.285 4.470 0.004 0.000 0.225 249 S C 1.497 176.099 174.600 0.004 0.000 1.030 249 S CA 1.386 59.601 58.200 0.024 0.000 0.999 249 S CB -0.291 62.927 63.200 0.030 0.000 0.844 249 S HN 0.450 nan 8.310 nan 0.000 0.459 250 D N 1.429 121.831 120.400 0.003 0.000 2.178 250 D HA -0.019 4.623 4.640 0.004 0.000 0.201 250 D C 1.761 178.048 176.300 -0.022 0.000 0.980 250 D CA 0.698 54.693 54.000 -0.009 0.000 0.842 250 D CB -0.288 40.511 40.800 -0.003 0.000 0.948 250 D HN 0.333 nan 8.370 nan 0.000 0.472 251 L N -0.479 120.734 121.223 -0.016 0.000 2.291 251 L HA -0.004 4.338 4.340 0.004 0.000 0.214 251 L C 1.594 178.438 176.870 -0.043 0.000 1.120 251 L CA 0.587 55.413 54.840 -0.024 0.000 0.799 251 L CB 0.118 42.170 42.059 -0.012 0.000 0.925 251 L HN -0.164 nan 8.230 nan 0.000 0.446 252 R N 0.685 121.155 120.500 -0.051 0.000 2.644 252 R HA 0.185 4.528 4.340 0.004 0.000 0.271 252 R C -2.214 174.002 176.300 -0.140 0.000 1.687 252 R CA -1.350 54.691 56.100 -0.098 0.000 1.655 252 R CB 0.854 31.139 30.300 -0.026 0.000 1.285 252 R HN -0.144 nan 8.270 nan 0.000 0.643 253 P HA -0.089 nan 4.420 nan 0.000 0.297 253 P C -0.683 176.536 177.300 -0.135 0.000 1.544 253 P CA 0.285 63.311 63.100 -0.124 0.000 0.798 253 P CB -0.378 31.265 31.700 -0.094 0.000 1.757 254 H N 0.827 119.897 119.070 0.000 0.000 2.767 254 H HA 0.100 4.659 4.556 0.005 0.000 0.316 254 H C -1.326 174.013 175.328 0.019 0.000 1.059 254 H CA -1.595 54.455 56.048 0.004 0.000 1.461 254 H CB 0.555 30.314 29.762 -0.005 0.000 1.475 254 H HN 0.091 nan 8.280 nan 0.000 0.531 255 P HA -0.158 nan 4.420 nan 0.000 0.215 255 P C 1.656 179.031 177.300 0.124 0.000 1.157 255 P CA 1.685 64.847 63.100 0.104 0.000 0.874 255 P CB 0.117 31.873 31.700 0.092 0.000 0.790 256 G N -0.416 108.474 108.800 0.151 0.000 2.422 256 G HA2 -0.308 3.655 3.960 0.004 0.000 0.218 256 G HA3 -0.308 3.655 3.960 0.004 0.000 0.218 256 G C 1.681 176.676 174.900 0.159 0.000 1.146 256 G CA 0.766 45.985 45.100 0.199 0.000 0.769 256 G HN 0.327 nan 8.290 nan 0.000 0.547 257 Q N 0.134 119.993 119.800 0.098 0.000 2.046 257 Q HA -0.072 4.271 4.340 0.004 0.000 0.200 257 Q C 2.472 178.503 176.000 0.050 0.000 0.975 257 Q CA 1.570 57.400 55.803 0.045 0.000 0.836 257 Q CB -0.211 28.569 28.738 0.071 0.000 0.896 257 Q HN 0.510 nan 8.270 nan 0.000 0.428 258 K N 0.141 120.582 120.400 0.068 0.000 2.063 258 K HA -0.237 4.085 4.320 0.004 0.000 0.208 258 K C 1.655 178.285 176.600 0.050 0.000 1.048 258 K CA 1.898 58.215 56.287 0.050 0.000 0.928 258 K CB -0.171 32.355 32.500 0.045 0.000 0.713 258 K HN 0.207 nan 8.250 nan 0.000 0.442 259 D N -0.105 120.342 120.400 0.079 0.000 2.097 259 D HA -0.098 4.545 4.640 0.004 0.000 0.197 259 D C 1.729 178.090 176.300 0.101 0.000 0.984 259 D CA 1.533 55.582 54.000 0.083 0.000 0.826 259 D CB -0.086 40.775 40.800 0.103 0.000 0.973 259 D HN 0.321 nan 8.370 nan 0.000 0.460 260 A N 0.666 123.579 122.820 0.155 0.000 1.883 260 A HA -0.033 4.290 4.320 0.004 0.000 0.217 260 A C 2.417 179.957 177.584 -0.073 0.000 1.186 260 A CA 2.587 54.683 52.037 0.099 0.000 0.624 260 A CB -1.259 17.702 19.000 -0.066 0.000 0.822 260 A HN 0.333 nan 8.150 nan 0.000 0.444 261 A N -0.242 122.530 122.820 -0.079 0.000 1.877 261 A HA 0.127 4.449 4.320 0.004 0.000 0.216 261 A C 2.537 180.097 177.584 -0.041 0.000 1.186 261 A CA 2.326 54.304 52.037 -0.099 0.000 0.620 261 A CB -1.113 17.885 19.000 -0.004 0.000 0.822 261 A HN 1.138 nan 8.150 nan 0.000 0.443 262 A N -0.240 122.578 122.820 -0.003 0.000 1.902 262 A HA -0.186 4.137 4.320 0.004 0.000 0.217 262 A C 2.240 179.820 177.584 -0.007 0.000 1.181 262 A CA 1.711 53.754 52.037 0.010 0.000 0.623 262 A CB -0.457 18.551 19.000 0.014 0.000 0.818 262 A HN 0.554 nan 8.150 nan 0.000 0.443 263 R N -0.685 119.800 120.500 -0.025 0.000 2.115 263 R HA 0.041 4.383 4.340 0.004 0.000 0.230 263 R C 2.024 178.281 176.300 -0.072 0.000 1.111 263 R CA 1.194 57.270 56.100 -0.040 0.000 0.976 263 R CB -0.422 29.861 30.300 -0.027 0.000 0.870 263 R HN 0.509 nan 8.270 nan 0.000 0.445 264 L N 0.130 121.261 121.223 -0.155 0.000 2.027 264 L HA -0.151 4.192 4.340 0.004 0.000 0.206 264 L C 2.541 179.412 176.870 0.002 0.000 1.074 264 L CA 1.384 56.058 54.840 -0.276 0.000 0.745 264 L CB -0.333 41.208 42.059 -0.864 0.000 0.898 264 L HN 0.134 nan 8.230 nan 0.000 0.433 265 R N -0.091 120.463 120.500 0.090 0.000 2.091 265 R HA -0.179 4.164 4.340 0.004 0.000 0.238 265 R C 2.380 178.743 176.300 0.105 0.000 1.136 265 R CA 1.451 57.658 56.100 0.179 0.000 0.959 265 R CB -0.583 29.799 30.300 0.137 0.000 0.856 265 R HN 0.374 nan 8.270 nan 0.000 0.437 266 A N 1.302 124.151 122.820 0.049 0.000 1.902 266 A HA -0.150 4.172 4.320 0.004 0.000 0.217 266 A C 2.067 179.667 177.584 0.027 0.000 1.181 266 A CA 1.110 53.163 52.037 0.027 0.000 0.623 266 A CB -0.276 18.724 19.000 0.001 0.000 0.818 266 A HN 0.110 nan 8.150 nan 0.000 0.443 267 R N -0.210 120.305 120.500 0.024 0.000 2.096 267 R HA -0.114 4.228 4.340 0.004 0.000 0.235 267 R C 1.947 178.285 176.300 0.063 0.000 1.127 267 R CA 1.748 57.863 56.100 0.024 0.000 0.968 267 R CB -1.313 28.991 30.300 0.008 0.000 0.861 267 R HN 0.677 nan 8.270 nan 0.000 0.440 268 V N -0.864 119.119 119.914 0.114 0.000 3.649 268 V HA 0.100 4.223 4.120 0.004 0.000 0.275 268 V C 0.260 176.401 176.094 0.078 0.000 1.281 268 V CA -0.530 61.841 62.300 0.119 0.000 1.143 268 V CB -0.521 31.416 31.823 0.190 0.000 0.892 268 V HN -0.079 nan 8.190 nan 0.000 0.441 269 D N 1.653 122.090 120.400 0.063 0.000 2.487 269 D HA 0.387 5.029 4.640 0.004 0.000 0.243 269 D C 1.442 177.759 176.300 0.029 0.000 1.154 269 D CA 1.945 55.969 54.000 0.041 0.000 0.876 269 D CB 0.422 41.240 40.800 0.031 0.000 1.161 269 D HN 0.614 nan 8.370 nan 0.000 0.478 270 G N 2.387 111.200 108.800 0.022 0.000 2.175 270 G HA2 -0.249 3.714 3.960 0.004 0.000 0.244 270 G HA3 -0.249 3.714 3.960 0.004 0.000 0.244 270 G C 0.430 175.341 174.900 0.018 0.000 0.982 270 G CA 0.323 45.433 45.100 0.016 0.000 0.641 270 G HN 0.785 nan 8.290 nan 0.000 0.527 271 S N 0.036 115.750 115.700 0.024 0.000 2.565 271 S HA 0.682 5.155 4.470 0.004 0.000 0.274 271 S C 1.199 175.809 174.600 0.016 0.000 1.309 271 S CA 0.803 59.018 58.200 0.025 0.000 1.043 271 S CB 1.325 64.546 63.200 0.036 0.000 0.939 271 S HN 1.574 nan 8.310 nan 0.000 0.504 272 A N 5.200 128.030 122.820 0.016 0.000 2.430 272 A HA 0.332 4.655 4.320 0.004 0.000 0.243 272 A C 1.704 179.299 177.584 0.017 0.000 1.254 272 A CA -0.320 51.727 52.037 0.015 0.000 0.914 272 A CB 0.071 19.080 19.000 0.015 0.000 0.998 272 A HN 0.720 nan 8.150 nan 0.000 0.515 273 R N -0.188 120.321 120.500 0.016 0.000 2.265 273 R HA 0.110 4.452 4.340 0.004 0.000 0.194 273 R C 0.753 177.055 176.300 0.004 0.000 0.931 273 R CA 0.903 57.010 56.100 0.013 0.000 1.032 273 R CB -0.361 29.950 30.300 0.017 0.000 0.980 273 R HN 0.488 nan 8.270 nan 0.000 0.497 274 V N -1.147 118.766 119.914 -0.002 0.000 2.863 274 V HA 0.433 4.556 4.120 0.004 0.000 0.307 274 V C 0.517 176.600 176.094 -0.019 0.000 1.061 274 V CA -0.944 61.338 62.300 -0.031 0.000 1.024 274 V CB 1.966 33.755 31.823 -0.056 0.000 1.049 274 V HN -0.261 nan 8.190 nan 0.000 0.471 275 V N 4.051 123.944 119.914 -0.036 0.000 2.385 275 V HA 0.426 4.548 4.120 0.004 0.000 0.269 275 V C 1.068 177.163 176.094 0.002 0.000 1.043 275 V CA -0.199 62.117 62.300 0.027 0.000 0.906 275 V CB 0.581 32.408 31.823 0.007 0.000 0.995 275 V HN 0.931 nan 8.190 nan 0.000 0.467 276 R N 1.675 122.187 120.500 0.021 0.000 2.362 276 R HA 0.190 4.533 4.340 0.004 0.000 0.227 276 R C -0.172 176.055 176.300 -0.122 0.000 0.905 276 R CA -0.205 55.840 56.100 -0.091 0.000 1.067 276 R CB 0.190 30.402 30.300 -0.147 0.000 1.078 276 R HN 0.737 nan 8.270 nan 0.000 0.516 277 H N -0.046 118.998 119.070 -0.045 0.000 2.764 277 H HA 0.085 4.644 4.556 0.004 0.000 0.341 277 H C -0.146 175.159 175.328 -0.038 0.000 1.072 277 H CA -0.153 55.874 56.048 -0.034 0.000 1.444 277 H CB 0.862 30.606 29.762 -0.029 0.000 1.458 277 H HN -0.220 nan 8.280 nan 0.000 0.572 278 V N 5.651 125.605 119.914 0.067 0.000 2.427 278 V HA -0.033 4.090 4.120 0.004 0.000 0.268 278 V C 1.836 177.956 176.094 0.043 0.000 1.046 278 V CA -0.003 62.316 62.300 0.031 0.000 0.970 278 V CB -0.136 31.695 31.823 0.012 0.000 1.001 278 V HN 0.821 nan 8.190 nan 0.000 0.476 279 I N 3.069 123.654 120.570 0.025 0.000 2.454 279 I HA -0.102 4.071 4.170 0.004 0.000 0.254 279 I C 2.022 178.146 176.117 0.012 0.000 1.156 279 I CA 1.838 63.147 61.300 0.016 0.000 1.433 279 I CB -0.214 37.787 38.000 0.002 0.000 1.082 279 I HN 0.556 nan 8.210 nan 0.000 0.432 280 A N 1.088 123.915 122.820 0.011 0.000 2.209 280 A HA -0.049 4.274 4.320 0.004 0.000 0.212 280 A C 2.099 179.689 177.584 0.010 0.000 1.158 280 A CA 0.900 52.942 52.037 0.008 0.000 0.742 280 A CB -0.614 18.390 19.000 0.006 0.000 0.790 280 A HN 0.626 nan 8.150 nan 0.000 0.472 281 E N -0.278 119.932 120.200 0.017 0.000 2.285 281 E HA -0.067 4.286 4.350 0.004 0.000 0.194 281 E C 1.121 177.730 176.600 0.016 0.000 0.997 281 E CA -0.096 56.315 56.400 0.018 0.000 0.845 281 E CB -0.023 29.694 29.700 0.029 0.000 0.782 281 E HN 0.517 nan 8.360 nan 0.000 0.491 282 R N 2.033 122.541 120.500 0.013 0.000 2.401 282 R HA 0.097 4.440 4.340 0.004 0.000 0.299 282 R C -0.571 175.730 176.300 0.002 0.000 1.064 282 R CA -0.051 56.052 56.100 0.005 0.000 1.000 282 R CB 0.424 30.722 30.300 -0.003 0.000 0.973 282 R HN -0.091 nan 8.270 nan 0.000 0.438 283 R N 4.982 125.482 120.500 0.001 0.000 2.229 283 R HA 0.283 4.625 4.340 0.004 0.000 0.328 283 R C -0.427 175.871 176.300 -0.003 0.000 1.009 283 R CA -0.503 55.596 56.100 -0.000 0.000 0.864 283 R CB 1.102 31.403 30.300 0.001 0.000 1.085 283 R HN 0.468 nan 8.270 nan 0.000 0.453 284 L N 2.845 124.066 121.223 -0.003 0.000 2.379 284 L HA 0.347 4.690 4.340 0.004 0.000 0.269 284 L C 0.143 177.010 176.870 -0.004 0.000 1.084 284 L CA -0.532 54.305 54.840 -0.005 0.000 0.802 284 L CB 0.944 43.000 42.059 -0.005 0.000 1.175 284 L HN 0.687 nan 8.230 nan 0.000 0.448 285 D N 0.785 121.182 120.400 -0.005 0.000 2.585 285 D HA 0.439 5.081 4.640 0.004 0.000 0.254 285 D C 0.539 176.836 176.300 -0.005 0.000 1.067 285 D CA -0.352 53.645 54.000 -0.004 0.000 1.090 285 D CB 1.316 42.113 40.800 -0.004 0.000 1.408 285 D HN 0.419 nan 8.370 nan 0.000 0.554 286 A N -0.013 122.804 122.820 -0.004 0.000 1.948 286 A HA 0.004 4.326 4.320 0.004 0.000 0.220 286 A C 2.025 179.606 177.584 -0.005 0.000 1.177 286 A CA 2.219 54.253 52.037 -0.004 0.000 0.636 286 A CB -1.648 17.350 19.000 -0.004 0.000 0.815 286 A HN 0.713 nan 8.150 nan 0.000 0.449 287 G N -1.067 107.729 108.800 -0.006 0.000 2.559 287 G HA2 -0.102 3.861 3.960 0.004 0.000 0.216 287 G HA3 -0.102 3.861 3.960 0.004 0.000 0.216 287 G C 0.899 175.794 174.900 -0.008 0.000 1.126 287 G CA 0.983 46.079 45.100 -0.006 0.000 0.778 287 G HN 0.514 nan 8.290 nan 0.000 0.543 288 D N 0.261 120.656 120.400 -0.008 0.000 2.333 288 D HA 0.024 4.666 4.640 0.004 0.000 0.208 288 D C 0.899 177.194 176.300 -0.009 0.000 0.984 288 D CA -0.046 53.948 54.000 -0.010 0.000 0.873 288 D CB 0.436 41.230 40.800 -0.010 0.000 0.935 288 D HN 0.137 nan 8.370 nan 0.000 0.521 289 I N 1.743 122.308 120.570 -0.007 0.000 2.578 289 I HA 0.294 4.467 4.170 0.004 0.000 0.286 289 I C 1.276 177.389 176.117 -0.007 0.000 1.126 289 I CA 0.615 61.911 61.300 -0.006 0.000 1.380 289 I CB -0.081 37.916 38.000 -0.005 0.000 1.408 289 I HN -0.072 nan 8.210 nan 0.000 0.532 290 G N 5.265 114.061 108.800 -0.007 0.000 2.335 290 G HA2 0.253 4.215 3.960 0.004 0.000 0.291 290 G HA3 0.253 4.215 3.960 0.004 0.000 0.291 290 G C -1.223 173.672 174.900 -0.008 0.000 1.261 290 G CA -0.562 44.533 45.100 -0.008 0.000 0.871 290 G HN 0.306 nan 8.290 nan 0.000 0.491 291 T N 1.952 116.500 114.554 -0.009 0.000 2.749 291 T HA 0.541 4.893 4.350 0.004 0.000 0.287 291 T C -0.220 174.473 174.700 -0.012 0.000 0.970 291 T CA -0.241 61.854 62.100 -0.010 0.000 0.980 291 T CB 1.258 70.121 68.868 -0.009 0.000 0.924 291 T HN 0.416 nan 8.240 nan 0.000 0.456 292 E N 3.278 123.470 120.200 -0.013 0.000 2.283 292 E HA 0.199 4.552 4.350 0.004 0.000 0.267 292 E C -1.330 175.260 176.600 -0.016 0.000 1.045 292 E CA -1.996 54.395 56.400 -0.016 0.000 0.884 292 E CB 0.775 30.464 29.700 -0.018 0.000 1.106 292 E HN 0.329 nan 8.360 nan 0.000 0.408 293 P HA -0.137 nan 4.420 nan 0.000 0.215 293 P C -0.221 177.068 177.300 -0.018 0.000 1.157 293 P CA 1.446 64.536 63.100 -0.018 0.000 0.874 293 P CB 0.338 32.026 31.700 -0.020 0.000 0.790 294 E N -1.471 118.717 120.200 -0.020 0.000 2.299 294 E HA 0.559 4.912 4.350 0.004 0.000 0.265 294 E C -0.530 176.059 176.600 -0.017 0.000 0.911 294 E CA -0.957 55.431 56.400 -0.019 0.000 0.789 294 E CB 2.069 31.756 29.700 -0.022 0.000 1.246 294 E HN -0.070 nan 8.360 nan 0.000 0.427 295 A N 0.373 123.185 122.820 -0.014 0.000 2.313 295 A HA 0.467 4.790 4.320 0.004 0.000 0.261 295 A C 1.195 178.773 177.584 -0.010 0.000 1.090 295 A CA 0.394 52.425 52.037 -0.009 0.000 0.807 295 A CB 0.065 19.064 19.000 -0.003 0.000 1.055 295 A HN 0.658 nan 8.150 nan 0.000 0.492 296 G N -0.880 107.916 108.800 -0.007 0.000 2.848 296 G HA2 0.291 4.253 3.960 0.004 0.000 0.208 296 G HA3 0.291 4.253 3.960 0.004 0.000 0.208 296 G C 0.440 175.335 174.900 -0.009 0.000 1.152 296 G CA 0.345 45.439 45.100 -0.010 0.000 0.789 296 G HN 0.698 nan 8.290 nan 0.000 0.531 297 Q N 0.054 119.856 119.800 0.002 0.000 2.423 297 Q HA 0.308 4.651 4.340 0.004 0.000 0.278 297 Q C -1.442 174.570 176.000 0.021 0.000 1.097 297 Q CA -1.028 54.782 55.803 0.011 0.000 0.809 297 Q CB 2.069 30.830 28.738 0.038 0.000 1.391 297 Q HN 0.029 nan 8.270 nan 0.000 0.428 298 D N 0.680 121.093 120.400 0.021 0.000 2.383 298 D HA 0.364 5.006 4.640 0.004 0.000 0.248 298 D C -0.210 176.153 176.300 0.106 0.000 1.170 298 D CA -0.100 53.922 54.000 0.037 0.000 0.977 298 D CB 0.859 41.669 40.800 0.016 0.000 1.120 298 D HN 0.621 nan 8.370 nan 0.000 0.481 299 A N 0.508 123.380 122.820 0.087 0.000 2.406 299 A HA 0.009 4.331 4.320 0.004 0.000 0.243 299 A C 0.618 178.357 177.584 0.259 0.000 1.082 299 A CA -0.118 51.977 52.037 0.097 0.000 0.786 299 A CB -0.071 18.944 19.000 0.024 0.000 1.029 299 A HN 0.534 nan 8.150 nan 0.000 0.495 300 Y N 1.072 121.390 120.300 0.031 0.000 2.256 300 Y HA -0.207 4.346 4.550 0.004 0.000 0.288 300 Y C 2.881 178.816 175.900 0.059 0.000 1.155 300 Y CA 1.569 59.694 58.100 0.042 0.000 1.203 300 Y CB -1.347 37.128 38.460 0.025 0.000 0.980 300 Y HN 0.750 nan 8.280 nan 0.000 0.530 301 S N -1.050 114.779 115.700 0.215 0.000 2.500 301 S HA -0.108 4.365 4.470 0.004 0.000 0.239 301 S C 1.806 176.513 174.600 0.177 0.000 0.989 301 S CA 1.108 59.400 58.200 0.154 0.000 0.951 301 S CB -0.536 62.730 63.200 0.109 0.000 0.759 301 S HN 0.467 nan 8.310 nan 0.000 0.523 302 L N -0.298 121.052 121.223 0.212 0.000 2.588 302 L HA 0.354 4.697 4.340 0.004 0.000 0.194 302 L C 2.738 179.835 176.870 0.378 0.000 1.070 302 L CA 0.236 55.254 54.840 0.297 0.000 0.852 302 L CB -0.191 41.982 42.059 0.189 0.000 1.199 302 L HN 0.173 nan 8.230 nan 0.000 0.486 303 R N -0.094 120.544 120.500 0.231 0.000 2.096 303 R HA -0.130 4.212 4.340 0.004 0.000 0.235 303 R C 1.494 177.891 176.300 0.162 0.000 1.127 303 R CA 1.738 57.945 56.100 0.178 0.000 0.968 303 R CB -0.178 30.187 30.300 0.107 0.000 0.861 303 R HN 0.384 nan 8.270 nan 0.000 0.440 304 C N 0.326 119.677 119.300 0.085 0.000 2.688 304 C HA 0.448 4.911 4.460 0.004 0.000 0.297 304 C C 2.083 177.075 174.990 0.004 0.000 1.308 304 C CA -0.391 58.613 59.018 -0.023 0.000 1.726 304 C CB -0.362 27.267 27.740 -0.184 0.000 1.982 304 C HN 0.625 nan 8.230 nan 0.000 0.604 305 A N 2.663 125.525 122.820 0.071 0.000 1.908 305 A HA -0.099 4.224 4.320 0.004 0.000 0.218 305 A C 0.008 177.493 177.584 -0.165 0.000 1.181 305 A CA 1.793 53.803 52.037 -0.044 0.000 0.627 305 A CB -1.541 17.428 19.000 -0.051 0.000 0.818 305 A HN 0.415 nan 8.150 nan 0.000 0.445 306 P HA -0.146 nan 4.420 nan 0.000 0.215 306 P C 1.253 178.467 177.300 -0.144 0.000 1.153 306 P CA 1.464 64.456 63.100 -0.180 0.000 0.853 306 P CB -0.037 31.604 31.700 -0.100 0.000 0.788 307 Q N -1.066 118.674 119.800 -0.101 0.000 2.123 307 Q HA -0.065 4.278 4.340 0.004 0.000 0.199 307 Q C 2.115 178.027 176.000 -0.147 0.000 0.966 307 Q CA 1.144 56.887 55.803 -0.101 0.000 0.845 307 Q CB -1.299 27.390 28.738 -0.081 0.000 0.907 307 Q HN 0.095 nan 8.270 nan 0.000 0.439 308 V N 0.215 120.039 119.914 -0.151 0.000 2.283 308 V HA -0.185 3.937 4.120 0.004 0.000 0.243 308 V C 2.068 178.005 176.094 -0.262 0.000 1.039 308 V CA 1.373 63.574 62.300 -0.166 0.000 1.016 308 V CB -0.557 31.197 31.823 -0.114 0.000 0.650 308 V HN 0.301 nan 8.190 nan 0.000 0.449 309 L N 0.524 121.540 121.223 -0.345 0.000 2.042 309 L HA -0.120 4.223 4.340 0.004 0.000 0.210 309 L C 2.648 178.976 176.870 -0.903 0.000 1.076 309 L CA 1.813 56.255 54.840 -0.664 0.000 0.749 309 L CB -1.208 40.440 42.059 -0.685 0.000 0.893 309 L HN 0.495 nan 8.230 nan 0.000 0.432 310 G N -0.390 108.103 108.800 -0.513 0.000 2.440 310 G HA2 -0.267 3.696 3.960 0.004 0.000 0.218 310 G HA3 -0.267 3.696 3.960 0.004 0.000 0.218 310 G C 1.771 176.563 174.900 -0.181 0.000 1.154 310 G CA 0.843 45.774 45.100 -0.281 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.793 123.489 122.820 -0.207 0.000 1.933 311 A HA 0.163 4.485 4.320 0.004 0.000 0.218 311 A C 2.690 180.212 177.584 -0.104 0.000 1.175 311 A CA 2.085 54.021 52.037 -0.168 0.000 0.628 311 A CB -0.986 17.907 19.000 -0.179 0.000 0.814 311 A HN 0.526 nan 8.150 nan 0.000 0.444 312 G N -1.059 107.649 108.800 -0.153 0.000 2.402 312 G HA2 -0.110 3.853 3.960 0.004 0.000 0.216 312 G HA3 -0.110 3.853 3.960 0.004 0.000 0.216 312 G C 1.291 176.287 174.900 0.160 0.000 1.162 312 G CA 1.030 46.094 45.100 -0.061 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.784 121.737 119.950 0.006 0.000 2.171 313 F HA 0.020 4.549 4.527 0.004 0.000 0.300 313 F C 2.327 178.152 175.800 0.042 0.000 1.090 313 F CA 0.451 58.467 58.000 0.028 0.000 1.293 313 F CB -0.687 38.323 39.000 0.017 0.000 1.013 313 F HN 0.120 nan 8.300 nan 0.000 0.486 314 D N -0.561 119.966 120.400 0.211 0.000 2.178 314 D HA -0.104 4.539 4.640 0.004 0.000 0.202 314 D C 2.214 178.622 176.300 0.180 0.000 0.974 314 D CA 1.435 55.526 54.000 0.151 0.000 0.841 314 D CB -0.392 40.446 40.800 0.062 0.000 0.953 314 D HN 0.205 nan 8.370 nan 0.000 0.478 315 T N 1.168 115.821 114.554 0.164 0.000 2.777 315 T HA -0.115 4.238 4.350 0.004 0.000 0.266 315 T C 1.904 176.772 174.700 0.280 0.000 1.040 315 T CA 0.376 62.614 62.100 0.229 0.000 1.141 315 T CB -0.212 68.743 68.868 0.144 0.000 0.868 315 T HN 0.039 nan 8.240 nan 0.000 0.444 316 L N 1.504 122.849 121.223 0.204 0.000 2.083 316 L HA 0.110 4.452 4.340 0.004 0.000 0.209 316 L C 2.569 179.556 176.870 0.196 0.000 1.083 316 L CA 1.697 56.632 54.840 0.158 0.000 0.752 316 L CB -1.015 41.119 42.059 0.124 0.000 0.899 316 L HN 0.217 nan 8.230 nan 0.000 0.433 317 A N -1.199 121.738 122.820 0.195 0.000 1.902 317 A HA -0.279 4.044 4.320 0.004 0.000 0.217 317 A C 2.129 179.850 177.584 0.229 0.000 1.181 317 A CA 1.755 53.896 52.037 0.174 0.000 0.623 317 A CB -1.431 17.664 19.000 0.158 0.000 0.818 317 A HN 0.735 nan 8.150 nan 0.000 0.443 318 W N 0.343 121.701 121.300 0.096 0.000 2.379 318 W HA -0.179 4.483 4.660 0.004 0.000 0.307 318 W C 2.250 178.836 176.519 0.110 0.000 1.200 318 W CA 1.914 59.312 57.345 0.087 0.000 1.297 318 W CB -0.748 28.757 29.460 0.075 0.000 1.140 318 W HN 0.625 nan 8.180 nan 0.000 0.507 319 H N 0.208 119.216 119.070 -0.104 0.000 2.319 319 H HA -0.187 4.372 4.556 0.004 0.000 0.297 319 H C 1.371 176.578 175.328 -0.201 0.000 1.097 319 H CA 2.478 58.358 56.048 -0.279 0.000 1.285 319 H CB -0.552 29.163 29.762 -0.079 0.000 1.368 319 H HN 0.067 nan 8.280 nan 0.000 0.495 320 D N 0.211 120.644 120.400 0.055 0.000 2.178 320 D HA -0.073 4.570 4.640 0.004 0.000 0.202 320 D C 2.607 178.865 176.300 -0.069 0.000 0.974 320 D CA 0.566 54.569 54.000 0.005 0.000 0.841 320 D CB -0.233 40.622 40.800 0.091 0.000 0.953 320 D HN 0.388 nan 8.370 nan 0.000 0.478 321 R N 0.281 120.750 120.500 -0.052 0.000 2.073 321 R HA -0.059 4.284 4.340 0.004 0.000 0.234 321 R C 2.326 178.561 176.300 -0.108 0.000 1.134 321 R CA 0.761 56.842 56.100 -0.033 0.000 0.952 321 R CB -0.444 29.882 30.300 0.044 0.000 0.850 321 R HN 0.097 nan 8.270 nan 0.000 0.433 322 V N 1.405 121.172 119.914 -0.244 0.000 2.358 322 V HA -0.222 3.900 4.120 0.004 0.000 0.246 322 V C 2.228 178.170 176.094 -0.252 0.000 1.047 322 V CA 1.433 63.568 62.300 -0.274 0.000 1.035 322 V CB -0.434 31.106 31.823 -0.471 0.000 0.658 322 V HN 0.239 nan 8.190 nan 0.000 0.452 323 L N -0.028 121.002 121.223 -0.322 0.000 2.083 323 L HA -0.144 4.199 4.340 0.004 0.000 0.209 323 L C 2.420 179.196 176.870 -0.157 0.000 1.083 323 L CA 2.339 57.014 54.840 -0.275 0.000 0.752 323 L CB -0.913 40.924 42.059 -0.370 0.000 0.899 323 L HN 0.334 nan 8.230 nan 0.000 0.433 324 T N -0.194 114.293 114.554 -0.112 0.000 2.746 324 T HA -0.139 4.214 4.350 0.004 0.000 0.267 324 T C 1.956 176.631 174.700 -0.043 0.000 1.039 324 T CA 1.931 63.999 62.100 -0.054 0.000 1.142 324 T CB -0.271 68.608 68.868 0.019 0.000 0.866 324 T HN 0.318 nan 8.240 nan 0.000 0.444 325 I N 0.715 121.251 120.570 -0.056 0.000 2.202 325 I HA -0.147 4.025 4.170 0.004 0.000 0.242 325 I C 2.721 178.782 176.117 -0.093 0.000 1.091 325 I CA 1.297 62.561 61.300 -0.059 0.000 1.368 325 I CB -0.304 37.639 38.000 -0.094 0.000 1.058 325 I HN 0.214 nan 8.210 nan 0.000 0.410 326 E N 1.329 121.452 120.200 -0.128 0.000 2.077 326 E HA -0.260 4.092 4.350 0.004 0.000 0.193 326 E C 2.037 178.582 176.600 -0.091 0.000 0.989 326 E CA 1.293 57.620 56.400 -0.122 0.000 0.800 326 E CB -0.282 29.341 29.700 -0.128 0.000 0.746 326 E HN 0.308 nan 8.360 nan 0.000 0.452 327 L N 0.935 122.102 121.223 -0.093 0.000 2.083 327 L HA -0.093 4.250 4.340 0.004 0.000 0.209 327 L C 1.207 178.025 176.870 -0.087 0.000 1.083 327 L CA 1.809 56.597 54.840 -0.087 0.000 0.752 327 L CB -0.397 41.603 42.059 -0.099 0.000 0.899 327 L HN 0.152 nan 8.230 nan 0.000 0.433 328 N N -0.182 118.467 118.700 -0.086 0.000 2.322 328 N HA 0.200 4.943 4.740 0.004 0.000 0.194 328 N C 0.339 175.828 175.510 -0.035 0.000 1.126 328 N CA 0.612 53.623 53.050 -0.065 0.000 0.845 328 N CB 0.284 38.744 38.487 -0.045 0.000 0.976 328 N HN 0.416 nan 8.380 nan 0.000 0.475 329 A N 0.279 123.070 122.820 -0.049 0.000 2.248 329 A HA 0.572 4.895 4.320 0.004 0.000 0.316 329 A C 0.026 177.586 177.584 -0.040 0.000 1.101 329 A CA -0.377 51.631 52.037 -0.048 0.000 0.875 329 A CB 0.989 19.945 19.000 -0.073 0.000 1.207 329 A HN -0.041 nan 8.150 nan 0.000 0.504 330 V N 1.339 121.229 119.914 -0.039 0.000 2.311 330 V HA 0.275 4.398 4.120 0.004 0.000 0.275 330 V C 0.866 176.938 176.094 -0.038 0.000 1.022 330 V CA 0.377 62.659 62.300 -0.030 0.000 0.830 330 V CB 0.526 32.333 31.823 -0.028 0.000 1.012 330 V HN 1.023 nan 8.190 nan 0.000 0.452 331 T N -0.709 113.832 114.554 -0.021 0.000 3.206 331 T HA 0.195 4.548 4.350 0.004 0.000 0.253 331 T C 0.169 174.893 174.700 0.040 0.000 1.042 331 T CA -0.517 61.578 62.100 -0.008 0.000 0.931 331 T CB -0.380 68.493 68.868 0.008 0.000 1.029 331 T HN 0.532 nan 8.240 nan 0.000 0.564 332 D N 2.454 122.865 120.400 0.020 0.000 2.344 332 D HA 0.512 5.155 4.640 0.004 0.000 0.244 332 D C -0.057 176.261 176.300 0.029 0.000 1.134 332 D CA 0.068 54.090 54.000 0.037 0.000 0.930 332 D CB 0.519 41.319 40.800 0.001 0.000 1.175 332 D HN 0.350 nan 8.370 nan 0.000 0.437 333 N N 0.109 118.845 118.700 0.062 0.000 2.537 333 N HA 0.274 5.017 4.740 0.004 0.000 0.281 333 N C -2.958 172.555 175.510 0.004 0.000 1.097 333 N CA -1.286 51.773 53.050 0.014 0.000 0.964 333 N CB 1.804 40.434 38.487 0.238 0.000 1.588 333 N HN 0.019 nan 8.380 nan 0.000 0.511 334 P HA 0.334 nan 4.420 nan 0.000 0.279 334 P C -0.890 176.072 177.300 -0.565 0.000 1.282 334 P CA -0.460 62.348 63.100 -0.487 0.000 0.788 334 P CB 0.988 32.194 31.700 -0.824 0.000 1.139 335 V N -3.503 116.008 119.914 -0.672 0.000 2.914 335 V HA 0.635 4.758 4.120 0.004 0.000 0.314 335 V C -1.014 174.609 176.094 -0.785 0.000 1.084 335 V CA -0.939 60.991 62.300 -0.617 0.000 0.963 335 V CB 1.610 33.274 31.823 -0.265 0.000 1.025 335 V HN 0.221 nan 8.190 nan 0.000 0.432 336 F N 2.103 122.041 119.950 -0.020 0.000 2.366 336 F HA 0.616 5.146 4.527 0.005 0.000 0.366 336 F C -2.406 173.392 175.800 -0.004 0.000 1.096 336 F CA -2.594 55.402 58.000 -0.007 0.000 1.060 336 F CB 1.265 40.267 39.000 0.003 0.000 1.282 336 F HN 0.295 nan 8.300 nan 0.000 0.450 337 P HA 0.003 nan 4.420 nan 0.000 0.260 337 P C -1.978 175.368 177.300 0.076 0.000 1.185 337 P CA -0.623 62.514 63.100 0.061 0.000 0.763 337 P CB 0.468 32.192 31.700 0.039 0.000 0.776 338 P HA -0.200 nan 4.420 nan 0.000 0.216 338 P C 0.912 178.234 177.300 0.037 0.000 1.150 338 P CA 1.420 64.549 63.100 0.048 0.000 0.837 338 P CB -0.126 31.594 31.700 0.034 0.000 0.786 339 D N -1.443 118.975 120.400 0.031 0.000 2.310 339 D HA -0.024 4.618 4.640 0.004 0.000 0.212 339 D C 1.435 177.753 176.300 0.030 0.000 0.965 339 D CA 1.165 55.180 54.000 0.025 0.000 0.879 339 D CB -1.272 39.539 40.800 0.019 0.000 0.921 339 D HN 0.219 nan 8.370 nan 0.000 0.510 340 G N -0.162 108.663 108.800 0.041 0.000 2.143 340 G HA2 -0.355 3.608 3.960 0.004 0.000 0.248 340 G HA3 -0.355 3.608 3.960 0.004 0.000 0.248 340 G C 1.177 176.101 174.900 0.041 0.000 0.991 340 G CA 1.058 46.185 45.100 0.045 0.000 0.689 340 G HN 0.656 nan 8.290 nan 0.000 0.522 341 S N -1.498 114.223 115.700 0.036 0.000 2.370 341 S HA 0.199 4.672 4.470 0.004 0.000 0.226 341 S C 1.226 175.848 174.600 0.037 0.000 1.033 341 S CA 1.966 60.184 58.200 0.030 0.000 1.011 341 S CB -0.362 62.852 63.200 0.023 0.000 0.852 341 S HN 2.053 nan 8.310 nan 0.000 0.457 342 V N -3.631 116.311 119.914 0.048 0.000 3.078 342 V HA 0.566 4.689 4.120 0.004 0.000 0.311 342 V C -2.539 173.608 176.094 0.089 0.000 1.138 342 V CA -2.141 60.195 62.300 0.059 0.000 1.007 342 V CB 1.162 33.016 31.823 0.051 0.000 1.045 342 V HN -0.129 nan 8.190 nan 0.000 0.432 343 P HA 0.237 nan 4.420 nan 0.000 0.217 343 P C 0.276 177.726 177.300 0.250 0.000 1.150 343 P CA 2.117 65.313 63.100 0.159 0.000 0.832 343 P CB 0.169 31.956 31.700 0.146 0.000 0.787 344 A N -2.117 120.803 122.820 0.166 0.000 2.586 344 A HA 0.626 4.949 4.320 0.004 0.000 0.291 344 A C -1.970 175.612 177.584 -0.004 0.000 1.062 344 A CA -0.546 51.519 52.037 0.047 0.000 0.666 344 A CB 0.348 19.366 19.000 0.030 0.000 1.281 344 A HN -0.056 nan 8.150 nan 0.000 0.421 345 L N 0.902 122.033 121.223 -0.153 0.000 2.362 345 L HA 0.617 4.960 4.340 0.004 0.000 0.271 345 L C -1.143 175.601 176.870 -0.209 0.000 1.002 345 L CA -0.708 54.086 54.840 -0.077 0.000 0.818 345 L CB 2.327 44.337 42.059 -0.082 0.000 1.298 345 L HN 0.861 nan 8.230 nan 0.000 0.420 346 H N 1.059 120.071 119.070 -0.096 0.000 2.539 346 H HA 0.740 5.298 4.556 0.004 0.000 0.332 346 H C 0.114 175.390 175.328 -0.086 0.000 1.031 346 H CA -0.196 55.798 56.048 -0.091 0.000 1.206 346 H CB 1.974 31.682 29.762 -0.089 0.000 1.446 346 H HN 0.738 nan 8.280 nan 0.000 0.496 347 G N 0.645 109.432 108.800 -0.022 0.000 2.772 347 G HA2 0.456 4.419 3.960 0.004 0.000 0.284 347 G HA3 0.456 4.419 3.960 0.004 0.000 0.284 347 G C -0.298 174.485 174.900 -0.195 0.000 1.217 347 G CA -0.347 44.703 45.100 -0.085 0.000 0.831 347 G HN 0.654 nan 8.290 nan 0.000 0.523 348 G N 0.003 108.561 108.800 -0.403 0.000 4.716 348 G HA2 0.291 4.253 3.960 0.004 0.000 0.282 348 G HA3 0.291 4.253 3.960 0.004 0.000 0.282 348 G C 0.241 174.537 174.900 -1.008 0.000 1.173 348 G CA -0.169 44.318 45.100 -1.023 0.000 0.913 348 G HN 0.265 nan 8.290 nan 0.000 0.566 349 N N 0.852 119.186 118.700 -0.611 0.000 2.609 349 N HA -0.043 4.700 4.740 0.004 0.000 0.190 349 N C 1.507 176.857 175.510 -0.267 0.000 1.157 349 N CA 0.312 53.156 53.050 -0.343 0.000 0.918 349 N CB -0.145 38.233 38.487 -0.181 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.226 118.704 119.950 -0.033 0.000 2.789 350 F HA 0.325 4.855 4.527 0.004 0.000 0.300 350 F C 0.819 176.615 175.800 -0.007 0.000 1.132 350 F CA -0.756 57.230 58.000 -0.023 0.000 1.404 350 F CB -0.698 38.287 39.000 -0.026 0.000 1.114 350 F HN -0.164 nan 8.300 nan 0.000 0.584 351 M N 2.770 122.307 119.600 -0.106 0.000 2.350 351 M HA 0.350 4.833 4.480 0.004 0.000 0.338 351 M C 0.964 177.299 176.300 0.059 0.000 1.559 351 M CA -0.627 54.702 55.300 0.049 0.000 1.217 351 M CB 0.136 32.690 32.600 -0.078 0.000 1.808 351 M HN 0.233 nan 8.290 nan 0.000 0.458 352 G N 3.479 112.337 108.800 0.096 0.000 3.452 352 G HA2 0.032 3.994 3.960 0.004 0.000 0.258 352 G HA3 0.032 3.994 3.960 0.004 0.000 0.258 352 G C 0.678 175.614 174.900 0.060 0.000 1.305 352 G CA -0.185 44.959 45.100 0.073 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N -0.047 119.785 119.800 0.053 0.000 2.167 353 Q HA -0.086 4.257 4.340 0.004 0.000 0.202 353 Q C 1.925 177.893 176.000 -0.053 0.000 0.970 353 Q CA 1.421 57.222 55.803 -0.004 0.000 0.855 353 Q CB -0.105 28.607 28.738 -0.043 0.000 0.911 353 Q HN 0.721 nan 8.270 nan 0.000 0.438 354 H N -1.711 117.338 119.070 -0.035 0.000 2.293 354 H HA -0.067 4.492 4.556 0.005 0.000 0.300 354 H C 1.813 177.068 175.328 -0.122 0.000 1.082 354 H CA 1.798 57.801 56.048 -0.075 0.000 1.308 354 H CB -0.077 29.627 29.762 -0.098 0.000 1.375 354 H HN 0.065 nan 8.280 nan 0.000 0.495 355 V N 0.564 120.489 119.914 0.018 0.000 2.515 355 V HA -0.227 3.896 4.120 0.004 0.000 0.250 355 V C 2.473 178.560 176.094 -0.012 0.000 1.058 355 V CA 1.392 63.666 62.300 -0.044 0.000 1.064 355 V CB -0.917 30.890 31.823 -0.027 0.000 0.675 355 V HN 0.571 nan 8.190 nan 0.000 0.461 356 A N 0.054 122.879 122.820 0.009 0.000 1.858 356 A HA -0.162 4.161 4.320 0.004 0.000 0.216 356 A C 2.191 179.792 177.584 0.029 0.000 1.190 356 A CA 1.827 53.879 52.037 0.025 0.000 0.617 356 A CB -0.536 18.479 19.000 0.025 0.000 0.827 356 A HN 0.485 nan 8.150 nan 0.000 0.443 357 L N -0.102 121.130 121.223 0.014 0.000 2.093 357 L HA -0.145 4.198 4.340 0.004 0.000 0.208 357 L C 2.966 179.897 176.870 0.101 0.000 1.085 357 L CA 1.771 56.651 54.840 0.067 0.000 0.755 357 L CB -0.889 41.221 42.059 0.085 0.000 0.904 357 L HN 0.674 nan 8.230 nan 0.000 0.435 358 T N -4.700 109.822 114.554 -0.053 0.000 2.857 358 T HA -0.081 4.272 4.350 0.004 0.000 0.266 358 T C 2.028 176.815 174.700 0.145 0.000 1.048 358 T CA 1.176 63.201 62.100 -0.125 0.000 1.139 358 T CB -0.223 68.354 68.868 -0.486 0.000 0.874 358 T HN 0.118 nan 8.240 nan 0.000 0.455 359 S N 1.679 117.459 115.700 0.132 0.000 2.368 359 S HA -0.099 4.373 4.470 0.004 0.000 0.225 359 S C 1.840 176.501 174.600 0.103 0.000 1.030 359 S CA 1.230 59.521 58.200 0.153 0.000 0.999 359 S CB -0.531 62.736 63.200 0.113 0.000 0.844 359 S HN 0.516 nan 8.310 nan 0.000 0.459 360 D N 1.570 122.027 120.400 0.095 0.000 2.117 360 D HA 0.024 4.666 4.640 0.004 0.000 0.198 360 D C 2.118 178.472 176.300 0.090 0.000 0.982 360 D CA 1.159 55.207 54.000 0.080 0.000 0.828 360 D CB -0.389 40.453 40.800 0.070 0.000 0.967 360 D HN 0.375 nan 8.370 nan 0.000 0.464 361 A N 0.668 123.579 122.820 0.150 0.000 1.898 361 A HA -0.117 4.205 4.320 0.004 0.000 0.216 361 A C 2.131 179.787 177.584 0.120 0.000 1.181 361 A CA 0.864 53.007 52.037 0.177 0.000 0.620 361 A CB -0.632 18.597 19.000 0.382 0.000 0.819 361 A HN 0.242 nan 8.150 nan 0.000 0.442 362 L N -0.242 121.046 121.223 0.108 0.000 2.093 362 L HA -0.002 4.340 4.340 0.004 0.000 0.208 362 L C 2.600 179.456 176.870 -0.023 0.000 1.085 362 L CA 1.979 56.826 54.840 0.012 0.000 0.755 362 L CB -0.764 41.221 42.059 -0.124 0.000 0.904 362 L HN 0.334 nan 8.230 nan 0.000 0.435 363 A N -1.515 121.307 122.820 0.003 0.000 1.902 363 A HA -0.201 4.121 4.320 0.004 0.000 0.217 363 A C 2.260 179.820 177.584 -0.040 0.000 1.181 363 A CA 2.282 54.313 52.037 -0.010 0.000 0.623 363 A CB -1.172 17.839 19.000 0.018 0.000 0.818 363 A HN 0.497 nan 8.150 nan 0.000 0.443 364 T N 0.240 114.780 114.554 -0.023 0.000 2.746 364 T HA 0.001 4.354 4.350 0.004 0.000 0.267 364 T C 2.228 176.873 174.700 -0.092 0.000 1.039 364 T CA 1.518 63.591 62.100 -0.044 0.000 1.142 364 T CB -0.437 68.419 68.868 -0.019 0.000 0.866 364 T HN 0.598 nan 8.240 nan 0.000 0.444 365 A N 0.984 123.750 122.820 -0.089 0.000 1.902 365 A HA -0.053 4.269 4.320 0.004 0.000 0.217 365 A C 2.578 179.992 177.584 -0.283 0.000 1.181 365 A CA 1.339 53.292 52.037 -0.141 0.000 0.623 365 A CB -1.018 17.936 19.000 -0.077 0.000 0.818 365 A HN 0.355 nan 8.150 nan 0.000 0.443 366 V N -0.260 119.474 119.914 -0.300 0.000 2.343 366 V HA -0.222 3.901 4.120 0.004 0.000 0.247 366 V C 2.735 178.507 176.094 -0.536 0.000 1.051 366 V CA 2.451 64.424 62.300 -0.544 0.000 1.036 366 V CB -1.218 30.453 31.823 -0.254 0.000 0.654 366 V HN 0.614 nan 8.190 nan 0.000 0.451 367 T N -0.165 114.221 114.554 -0.279 0.000 2.746 367 T HA -0.154 4.198 4.350 0.004 0.000 0.267 367 T C 1.945 176.511 174.700 -0.223 0.000 1.039 367 T CA 1.560 63.539 62.100 -0.203 0.000 1.142 367 T CB -0.190 68.615 68.868 -0.106 0.000 0.866 367 T HN 0.279 nan 8.240 nan 0.000 0.444 368 V N 1.142 120.922 119.914 -0.224 0.000 2.295 368 V HA -0.096 4.026 4.120 0.004 0.000 0.246 368 V C 2.390 178.340 176.094 -0.240 0.000 1.049 368 V CA 1.325 63.513 62.300 -0.187 0.000 1.024 368 V CB -0.542 31.187 31.823 -0.158 0.000 0.648 368 V HN 0.318 nan 8.190 nan 0.000 0.447 369 L N 0.285 121.267 121.223 -0.401 0.000 2.141 369 L HA -0.032 4.311 4.340 0.004 0.000 0.209 369 L C 2.536 179.183 176.870 -0.371 0.000 1.094 369 L CA 2.044 56.634 54.840 -0.416 0.000 0.763 369 L CB -1.155 40.522 42.059 -0.637 0.000 0.908 369 L HN 0.284 nan 8.230 nan 0.000 0.437 370 A N -0.595 121.873 122.820 -0.587 0.000 1.969 370 A HA -0.047 4.276 4.320 0.004 0.000 0.218 370 A C 2.416 179.975 177.584 -0.040 0.000 1.169 370 A CA 1.443 53.342 52.037 -0.230 0.000 0.635 370 A CB -1.186 17.703 19.000 -0.184 0.000 0.810 370 A HN 0.419 nan 8.150 nan 0.000 0.445 371 G N -0.127 108.620 108.800 -0.088 0.000 2.408 371 G HA2 -0.110 3.853 3.960 0.004 0.000 0.217 371 G HA3 -0.110 3.853 3.960 0.004 0.000 0.217 371 G C 1.473 176.373 174.900 0.001 0.000 1.150 371 G CA 1.155 46.237 45.100 -0.031 0.000 0.776 371 G HN 0.505 nan 8.290 nan 0.000 0.542 372 L N 1.357 122.576 121.223 -0.007 0.000 2.017 372 L HA 0.183 4.525 4.340 0.004 0.000 0.208 372 L C 3.022 179.935 176.870 0.072 0.000 1.073 372 L CA 2.285 57.143 54.840 0.030 0.000 0.745 372 L CB -0.751 41.317 42.059 0.015 0.000 0.894 372 L HN 0.202 nan 8.230 nan 0.000 0.432 373 A N -0.834 122.055 122.820 0.114 0.000 1.940 373 A HA -0.235 4.088 4.320 0.004 0.000 0.219 373 A C 2.331 179.975 177.584 0.099 0.000 1.176 373 A CA 1.766 53.890 52.037 0.144 0.000 0.631 373 A CB -0.786 18.362 19.000 0.247 0.000 0.814 373 A HN 0.602 nan 8.150 nan 0.000 0.446 374 E N -0.051 120.200 120.200 0.086 0.000 2.106 374 E HA -0.185 4.168 4.350 0.004 0.000 0.192 374 E C 2.029 178.662 176.600 0.056 0.000 0.984 374 E CA 0.824 57.264 56.400 0.066 0.000 0.806 374 E CB -0.208 29.525 29.700 0.055 0.000 0.750 374 E HN 0.384 nan 8.360 nan 0.000 0.458 375 R N 0.324 120.855 120.500 0.051 0.000 2.148 375 R HA -0.016 4.327 4.340 0.004 0.000 0.223 375 R C 2.343 178.672 176.300 0.050 0.000 1.088 375 R CA 0.694 56.821 56.100 0.046 0.000 0.985 375 R CB -0.311 30.014 30.300 0.041 0.000 0.880 375 R HN 0.395 nan 8.270 nan 0.000 0.451 376 Q N 0.054 119.889 119.800 0.059 0.000 2.079 376 Q HA -0.034 4.309 4.340 0.004 0.000 0.200 376 Q C 2.169 178.194 176.000 0.041 0.000 0.974 376 Q CA 1.113 56.951 55.803 0.059 0.000 0.840 376 Q CB -0.067 28.715 28.738 0.074 0.000 0.898 376 Q HN 0.299 nan 8.270 nan 0.000 0.430 377 I N 0.607 121.201 120.570 0.041 0.000 2.226 377 I HA -0.255 3.918 4.170 0.004 0.000 0.245 377 I C 2.403 178.548 176.117 0.046 0.000 1.100 377 I CA 0.954 62.272 61.300 0.029 0.000 1.374 377 I CB -0.396 37.625 38.000 0.035 0.000 1.057 377 I HN 0.142 nan 8.210 nan 0.000 0.413 378 A N 0.706 123.560 122.820 0.056 0.000 1.972 378 A HA -0.233 4.090 4.320 0.004 0.000 0.219 378 A C 2.432 180.037 177.584 0.035 0.000 1.169 378 A CA 1.784 53.859 52.037 0.064 0.000 0.635 378 A CB -0.589 18.446 19.000 0.058 0.000 0.810 378 A HN 0.401 nan 8.150 nan 0.000 0.446 379 R N -0.944 119.570 120.500 0.023 0.000 2.062 379 R HA -0.005 4.338 4.340 0.004 0.000 0.226 379 R C 2.027 178.321 176.300 -0.011 0.000 1.125 379 R CA 1.295 57.398 56.100 0.005 0.000 0.966 379 R CB -0.429 29.880 30.300 0.016 0.000 0.861 379 R HN 0.373 nan 8.270 nan 0.000 0.433 380 L N 1.358 122.579 121.223 -0.003 0.000 2.079 380 L HA -0.132 4.211 4.340 0.004 0.000 0.210 380 L C 2.001 178.848 176.870 -0.037 0.000 1.081 380 L CA 2.529 57.359 54.840 -0.017 0.000 0.752 380 L CB -0.589 41.460 42.059 -0.017 0.000 0.896 380 L HN 0.473 nan 8.230 nan 0.000 0.433 381 T N -4.178 110.358 114.554 -0.030 0.000 3.129 381 T HA 0.019 4.372 4.350 0.004 0.000 0.251 381 T C 0.738 175.251 174.700 -0.311 0.000 1.117 381 T CA -0.057 62.004 62.100 -0.066 0.000 1.034 381 T CB -0.489 68.466 68.868 0.145 0.000 0.968 381 T HN 0.275 nan 8.240 nan 0.000 0.526 382 D N 2.587 122.863 120.400 -0.207 0.000 2.347 382 D HA 0.076 4.718 4.640 0.004 0.000 0.235 382 D C 1.333 177.513 176.300 -0.200 0.000 1.149 382 D CA -0.318 53.534 54.000 -0.246 0.000 0.850 382 D CB 1.255 41.991 40.800 -0.107 0.000 1.061 382 D HN 0.614 nan 8.370 nan 0.000 0.487 383 E N 3.346 123.397 120.200 -0.249 0.000 2.267 383 E HA -0.220 4.133 4.350 0.004 0.000 0.197 383 E C 1.013 177.563 176.600 -0.083 0.000 0.998 383 E CA 0.862 57.178 56.400 -0.140 0.000 0.830 383 E CB 0.064 29.692 29.700 -0.119 0.000 0.751 383 E HN 0.375 nan 8.360 nan 0.000 0.491 384 R N -0.015 120.438 120.500 -0.078 0.000 2.275 384 R HA 0.174 4.517 4.340 0.004 0.000 0.199 384 R C 1.675 177.950 176.300 -0.042 0.000 0.989 384 R CA 0.535 56.606 56.100 -0.048 0.000 1.016 384 R CB 0.193 30.471 30.300 -0.037 0.000 0.918 384 R HN 0.284 nan 8.270 nan 0.000 0.473 385 L N 0.036 121.230 121.223 -0.050 0.000 2.878 385 L HA 0.126 4.469 4.340 0.004 0.000 0.253 385 L C 0.461 177.311 176.870 -0.034 0.000 1.135 385 L CA -0.118 54.699 54.840 -0.037 0.000 0.943 385 L CB 0.263 42.303 42.059 -0.033 0.000 1.307 385 L HN 0.110 nan 8.230 nan 0.000 0.545 386 N N 0.857 119.530 118.700 -0.044 0.000 2.322 386 N HA -0.013 4.730 4.740 0.004 0.000 0.216 386 N C -0.021 175.472 175.510 -0.027 0.000 1.144 386 N CA -0.397 52.632 53.050 -0.035 0.000 0.830 386 N CB -0.161 38.298 38.487 -0.047 0.000 1.034 386 N HN 0.068 nan 8.380 nan 0.000 0.484 387 R N -0.305 120.180 120.500 -0.025 0.000 3.158 387 R HA -0.174 4.169 4.340 0.004 0.000 0.244 387 R C 0.802 177.091 176.300 -0.018 0.000 0.900 387 R CA 0.515 56.602 56.100 -0.020 0.000 0.618 387 R CB -2.231 28.058 30.300 -0.017 0.000 1.061 387 R HN 0.604 nan 8.270 nan 0.000 0.471 388 G N -0.980 107.808 108.800 -0.020 0.000 2.194 388 G HA2 -0.300 3.662 3.960 0.004 0.000 0.236 388 G HA3 -0.300 3.662 3.960 0.004 0.000 0.236 388 G C 0.264 175.154 174.900 -0.016 0.000 0.987 388 G CA 0.042 45.132 45.100 -0.015 0.000 0.635 388 G HN 0.274 nan 8.290 nan 0.000 0.520 389 L N 1.500 122.711 121.223 -0.021 0.000 2.453 389 L HA 0.434 4.776 4.340 0.004 0.000 0.261 389 L C -1.602 175.256 176.870 -0.019 0.000 1.179 389 L CA -2.034 52.794 54.840 -0.020 0.000 0.813 389 L CB 0.601 42.648 42.059 -0.020 0.000 1.110 389 L HN -0.087 nan 8.230 nan 0.000 0.466 390 P HA 0.057 nan 4.420 nan 0.000 0.269 390 P C -2.490 174.850 177.300 0.066 0.000 1.215 390 P CA -0.960 62.152 63.100 0.020 0.000 0.780 390 P CB -0.179 31.432 31.700 -0.148 0.000 0.898 391 P HA -0.012 nan 4.420 nan 0.000 0.267 391 P C -0.244 177.103 177.300 0.077 0.000 1.209 391 P CA 0.351 63.395 63.100 -0.093 0.000 0.763 391 P CB -0.176 31.503 31.700 -0.034 0.000 0.816 392 F N 1.634 121.684 119.950 0.166 0.000 3.069 392 F HA -0.243 4.287 4.527 0.004 0.000 0.285 392 F C 1.295 177.273 175.800 0.297 0.000 0.827 392 F CA 0.356 58.478 58.000 0.203 0.000 1.108 392 F CB -2.633 36.474 39.000 0.177 0.000 1.252 392 F HN 0.274 nan 8.300 nan 0.000 0.483 393 L N -1.714 119.681 121.223 0.286 0.000 3.737 393 L HA -0.316 4.027 4.340 0.004 0.000 0.418 393 L C 1.344 178.376 176.870 0.271 0.000 1.216 393 L CA 1.013 56.002 54.840 0.248 0.000 0.915 393 L CB -2.006 40.215 42.059 0.270 0.000 1.834 393 L HN 0.696 nan 8.230 nan 0.000 0.943 394 H N 0.501 119.691 119.070 0.200 0.000 2.660 394 H HA 0.682 5.241 4.556 0.004 0.000 0.374 394 H C 0.286 175.666 175.328 0.087 0.000 1.291 394 H CA -0.392 55.730 56.048 0.124 0.000 1.437 394 H CB 0.889 30.716 29.762 0.109 0.000 1.509 394 H HN 0.309 nan 8.280 nan 0.000 0.614 395 R N -0.399 120.086 120.500 -0.026 0.000 2.867 395 R HA 0.483 4.826 4.340 0.004 0.000 0.268 395 R C -0.418 175.953 176.300 0.118 0.000 1.014 395 R CA -0.300 55.758 56.100 -0.071 0.000 0.946 395 R CB 2.157 32.448 30.300 -0.015 0.000 1.208 395 R HN 1.115 nan 8.270 nan 0.000 0.477 396 G N 1.332 110.184 108.800 0.086 0.000 2.796 396 G HA2 -0.174 3.788 3.960 0.004 0.000 0.571 396 G HA3 -0.174 3.788 3.960 0.004 0.000 0.571 396 G C -2.774 172.246 174.900 0.201 0.000 1.370 396 G CA -1.248 43.924 45.100 0.119 0.000 0.856 396 G HN 0.375 nan 8.290 nan 0.000 0.538 397 P HA 0.454 nan 4.420 nan 0.000 0.265 397 P C 0.397 177.744 177.300 0.078 0.000 1.193 397 P CA 0.775 63.944 63.100 0.116 0.000 0.765 397 P CB 0.718 32.450 31.700 0.054 0.000 0.823 398 A N 3.131 125.983 122.820 0.052 0.000 2.462 398 A HA 0.490 4.812 4.320 0.004 0.000 0.243 398 A C 1.532 179.024 177.584 -0.154 0.000 1.076 398 A CA 0.838 52.716 52.037 -0.265 0.000 0.773 398 A CB -0.969 17.960 19.000 -0.118 0.000 1.010 398 A HN 0.810 nan 8.150 nan 0.000 0.493 399 G N 0.563 109.249 108.800 -0.190 0.000 3.586 399 G HA2 -0.289 3.673 3.960 0.004 0.000 0.212 399 G HA3 -0.289 3.673 3.960 0.004 0.000 0.212 399 G C 1.059 175.914 174.900 -0.074 0.000 1.411 399 G CA 0.418 45.463 45.100 -0.091 0.000 0.898 399 G HN 0.860 nan 8.290 nan 0.000 0.575 400 L N 1.129 122.319 121.223 -0.056 0.000 2.201 400 L HA 0.154 4.496 4.340 0.004 0.000 0.212 400 L C 0.768 177.616 176.870 -0.037 0.000 1.105 400 L CA 0.901 55.721 54.840 -0.033 0.000 0.775 400 L CB -0.289 41.764 42.059 -0.010 0.000 0.913 400 L HN 0.306 nan 8.230 nan 0.000 0.440 401 N N -1.466 117.196 118.700 -0.062 0.000 2.258 401 N HA 0.215 4.958 4.740 0.004 0.000 0.299 401 N C -0.081 175.366 175.510 -0.105 0.000 1.047 401 N CA -0.143 52.882 53.050 -0.041 0.000 0.814 401 N CB 2.162 40.691 38.487 0.070 0.000 1.413 401 N HN -0.234 nan 8.380 nan 0.000 0.478 402 S N 0.078 115.751 115.700 -0.045 0.000 2.540 402 S HA 0.255 4.727 4.470 0.004 0.000 0.222 402 S C 1.265 175.912 174.600 0.078 0.000 1.008 402 S CA 0.106 58.290 58.200 -0.027 0.000 0.939 402 S CB 0.491 63.626 63.200 -0.108 0.000 0.865 402 S HN 0.934 nan 8.310 nan 0.000 0.499 403 G N 2.393 111.232 108.800 0.065 0.000 2.602 403 G HA2 -0.341 3.622 3.960 0.004 0.000 0.310 403 G HA3 -0.341 3.622 3.960 0.004 0.000 0.310 403 G C 0.226 175.030 174.900 -0.161 0.000 1.183 403 G CA 0.743 45.849 45.100 0.010 0.000 0.979 403 G HN 0.461 nan 8.290 nan 0.000 0.545 404 F N 1.370 121.407 119.950 0.146 0.000 2.645 404 F HA 0.496 5.025 4.527 0.004 0.000 0.300 404 F C 2.344 178.165 175.800 0.035 0.000 1.115 404 F CA 0.882 58.938 58.000 0.094 0.000 1.355 404 F CB 0.212 39.284 39.000 0.121 0.000 1.026 404 F HN 0.334 nan 8.300 nan 0.000 0.536 405 M N 0.095 119.689 119.600 -0.010 0.000 2.106 405 M HA -0.143 4.339 4.480 0.004 0.000 0.259 405 M C 2.396 178.559 176.300 -0.228 0.000 1.068 405 M CA 2.331 57.352 55.300 -0.465 0.000 1.100 405 M CB -0.482 31.627 32.600 -0.819 0.000 1.351 405 M HN 0.311 nan 8.290 nan 0.000 0.404 406 G N -0.901 107.826 108.800 -0.121 0.000 2.394 406 G HA2 -0.098 3.865 3.960 0.004 0.000 0.215 406 G HA3 -0.098 3.865 3.960 0.004 0.000 0.215 406 G C 1.492 176.393 174.900 0.001 0.000 1.165 406 G CA 0.746 45.805 45.100 -0.067 0.000 0.784 406 G HN 0.625 nan 8.290 nan 0.000 0.535 407 A N 0.013 122.872 122.820 0.065 0.000 1.940 407 A HA -0.112 4.210 4.320 0.004 0.000 0.219 407 A C 2.277 179.924 177.584 0.106 0.000 1.176 407 A CA 2.063 54.170 52.037 0.118 0.000 0.631 407 A CB -0.438 18.717 19.000 0.258 0.000 0.814 407 A HN 0.386 nan 8.150 nan 0.000 0.446 408 Q N 0.039 119.914 119.800 0.124 0.000 2.084 408 Q HA -0.125 4.218 4.340 0.004 0.000 0.202 408 Q C 2.113 178.157 176.000 0.073 0.000 0.978 408 Q CA 2.070 57.944 55.803 0.119 0.000 0.844 408 Q CB -0.317 28.542 28.738 0.201 0.000 0.898 408 Q HN 0.424 nan 8.270 nan 0.000 0.426 409 V N 0.561 120.497 119.914 0.037 0.000 2.427 409 V HA -0.206 3.917 4.120 0.004 0.000 0.248 409 V C 2.355 178.464 176.094 0.024 0.000 1.051 409 V CA 2.022 64.334 62.300 0.021 0.000 1.048 409 V CB -0.774 31.042 31.823 -0.012 0.000 0.666 409 V HN 0.390 nan 8.190 nan 0.000 0.456 410 T N 0.364 114.933 114.554 0.026 0.000 2.788 410 T HA -0.168 4.185 4.350 0.004 0.000 0.268 410 T C 2.061 176.781 174.700 0.034 0.000 1.044 410 T CA 1.582 63.698 62.100 0.026 0.000 1.139 410 T CB -0.367 68.517 68.868 0.027 0.000 0.867 410 T HN 0.577 nan 8.240 nan 0.000 0.454 411 A N 1.261 124.107 122.820 0.043 0.000 1.902 411 A HA -0.137 4.186 4.320 0.004 0.000 0.217 411 A C 2.555 180.166 177.584 0.045 0.000 1.181 411 A CA 2.137 54.202 52.037 0.047 0.000 0.623 411 A CB -1.235 17.796 19.000 0.052 0.000 0.818 411 A HN 0.480 nan 8.150 nan 0.000 0.443 412 T N 0.346 114.926 114.554 0.043 0.000 2.746 412 T HA -0.021 4.331 4.350 0.004 0.000 0.267 412 T C 2.219 176.936 174.700 0.029 0.000 1.039 412 T CA 1.580 63.702 62.100 0.037 0.000 1.142 412 T CB -0.473 68.417 68.868 0.036 0.000 0.866 412 T HN 0.605 nan 8.240 nan 0.000 0.444 413 A N 1.266 124.101 122.820 0.026 0.000 1.902 413 A HA 0.004 4.327 4.320 0.004 0.000 0.217 413 A C 2.307 179.905 177.584 0.024 0.000 1.181 413 A CA 1.199 53.249 52.037 0.021 0.000 0.623 413 A CB -0.838 18.172 19.000 0.017 0.000 0.818 413 A HN 0.481 nan 8.150 nan 0.000 0.443 414 L N -1.190 120.051 121.223 0.030 0.000 2.056 414 L HA -0.151 4.192 4.340 0.004 0.000 0.207 414 L C 2.559 179.452 176.870 0.037 0.000 1.078 414 L CA 1.150 56.012 54.840 0.036 0.000 0.749 414 L CB -0.537 41.549 42.059 0.045 0.000 0.901 414 L HN 0.476 nan 8.230 nan 0.000 0.433 415 L N 0.291 121.535 121.223 0.036 0.000 2.056 415 L HA -0.109 4.234 4.340 0.004 0.000 0.207 415 L C 2.643 179.523 176.870 0.016 0.000 1.078 415 L CA 1.953 56.809 54.840 0.027 0.000 0.749 415 L CB -0.693 41.381 42.059 0.025 0.000 0.901 415 L HN 0.126 nan 8.230 nan 0.000 0.433 416 A N -0.758 122.072 122.820 0.017 0.000 1.940 416 A HA -0.289 4.034 4.320 0.004 0.000 0.219 416 A C 2.333 179.925 177.584 0.013 0.000 1.176 416 A CA 1.900 53.945 52.037 0.013 0.000 0.631 416 A CB -0.766 18.242 19.000 0.013 0.000 0.814 416 A HN 0.646 nan 8.150 nan 0.000 0.446 417 E N -0.625 119.585 120.200 0.017 0.000 2.110 417 E HA -0.184 4.168 4.350 0.004 0.000 0.193 417 E C 2.031 178.641 176.600 0.017 0.000 0.988 417 E CA 1.319 57.730 56.400 0.017 0.000 0.804 417 E CB -0.208 29.504 29.700 0.020 0.000 0.745 417 E HN 0.679 nan 8.360 nan 0.000 0.458 418 M N -0.019 119.592 119.600 0.018 0.000 2.108 418 M HA -0.163 4.320 4.480 0.004 0.000 0.261 418 M C 2.320 178.624 176.300 0.007 0.000 1.066 418 M CA 1.529 56.838 55.300 0.015 0.000 1.107 418 M CB -0.186 32.419 32.600 0.010 0.000 1.356 418 M HN 0.014 nan 8.290 nan 0.000 0.406 419 R N 0.132 120.634 120.500 0.003 0.000 2.189 419 R HA -0.023 4.320 4.340 0.004 0.000 0.223 419 R C 2.203 178.508 176.300 0.008 0.000 1.092 419 R CA 1.097 57.197 56.100 0.000 0.000 0.989 419 R CB -0.425 29.874 30.300 -0.002 0.000 0.876 419 R HN 0.374 nan 8.270 nan 0.000 0.457 420 A N 0.538 123.365 122.820 0.011 0.000 2.067 420 A HA -0.027 4.296 4.320 0.004 0.000 0.219 420 A C 0.789 178.384 177.584 0.019 0.000 1.158 420 A CA 0.893 52.938 52.037 0.014 0.000 0.661 420 A CB 0.091 19.099 19.000 0.012 0.000 0.801 420 A HN 0.100 nan 8.150 nan 0.000 0.452 421 T N 0.135 114.701 114.554 0.021 0.000 2.767 421 T HA 0.549 4.902 4.350 0.004 0.000 0.284 421 T C 0.459 175.181 174.700 0.037 0.000 0.973 421 T CA 0.062 62.180 62.100 0.030 0.000 0.996 421 T CB 1.531 70.415 68.868 0.028 0.000 0.927 421 T HN 0.368 nan 8.240 nan 0.000 0.456 422 G N 2.980 111.815 108.800 0.059 0.000 2.795 422 G HA2 0.667 4.630 3.960 0.004 0.000 0.267 422 G HA3 0.667 4.630 3.960 0.004 0.000 0.267 422 G C -2.654 172.291 174.900 0.077 0.000 1.362 422 G CA -1.598 43.539 45.100 0.062 0.000 1.048 422 G HN 0.435 nan 8.290 nan 0.000 0.547 423 P HA 0.265 nan 4.420 nan 0.000 0.266 423 P C 0.359 177.714 177.300 0.091 0.000 1.195 423 P CA 0.331 63.462 63.100 0.051 0.000 0.768 423 P CB 1.374 33.081 31.700 0.011 0.000 0.838 424 A N 2.120 125.000 122.820 0.100 0.000 1.984 424 A HA -0.057 4.266 4.320 0.004 0.000 0.214 424 A C 2.103 179.752 177.584 0.108 0.000 1.173 424 A CA 1.158 53.292 52.037 0.162 0.000 0.673 424 A CB -1.098 17.969 19.000 0.112 0.000 0.830 424 A HN 0.479 nan 8.150 nan 0.000 0.453 425 S N 0.588 116.308 115.700 0.034 0.000 2.402 425 S HA -0.209 4.264 4.470 0.004 0.000 0.233 425 S C 1.722 176.286 174.600 -0.061 0.000 1.030 425 S CA 1.671 59.871 58.200 0.001 0.000 1.003 425 S CB -0.741 62.460 63.200 0.002 0.000 0.813 425 S HN 0.795 nan 8.310 nan 0.000 0.477 426 I N -1.257 119.202 120.570 -0.185 0.000 3.334 426 I HA 0.018 4.191 4.170 0.004 0.000 0.282 426 I C 0.718 176.625 176.117 -0.351 0.000 1.313 426 I CA 1.087 62.216 61.300 -0.284 0.000 1.396 426 I CB -0.383 37.398 38.000 -0.365 0.000 1.054 426 I HN 0.174 nan 8.210 nan 0.000 0.495 427 H N 1.343 120.423 119.070 0.018 0.000 2.550 427 H HA 0.319 4.878 4.556 0.005 0.000 0.304 427 H C 0.611 175.951 175.328 0.020 0.000 1.086 427 H CA -0.229 55.830 56.048 0.018 0.000 1.089 427 H CB 0.030 29.802 29.762 0.017 0.000 1.528 427 H HN 0.295 nan 8.280 nan 0.000 0.539 428 S N 1.171 116.917 115.700 0.077 0.000 2.549 428 S HA 0.227 4.699 4.470 0.004 0.000 0.286 428 S C 0.278 174.917 174.600 0.065 0.000 1.314 428 S CA -0.229 58.010 58.200 0.065 0.000 1.062 428 S CB 0.052 63.276 63.200 0.039 0.000 0.865 428 S HN 0.307 nan 8.310 nan 0.000 0.498 429 I N 3.244 123.850 120.570 0.060 0.000 2.569 429 I HA 0.213 4.385 4.170 0.004 0.000 0.290 429 I C 0.002 176.145 176.117 0.044 0.000 1.088 429 I CA -0.605 60.726 61.300 0.051 0.000 1.047 429 I CB 2.141 40.172 38.000 0.051 0.000 1.237 429 I HN 0.579 nan 8.210 nan 0.000 0.421 430 S N 4.022 119.745 115.700 0.039 0.000 2.525 430 S HA 0.268 4.741 4.470 0.004 0.000 0.285 430 S C -0.198 174.423 174.600 0.036 0.000 1.283 430 S CA 0.464 58.686 58.200 0.037 0.000 1.072 430 S CB 0.262 63.481 63.200 0.032 0.000 0.867 430 S HN 0.775 nan 8.310 nan 0.000 0.492 431 T N 3.076 117.653 114.554 0.038 0.000 2.647 431 T HA 0.412 4.765 4.350 0.004 0.000 0.295 431 T C -0.330 174.393 174.700 0.039 0.000 1.126 431 T CA -0.079 62.043 62.100 0.037 0.000 1.040 431 T CB 0.778 69.668 68.868 0.038 0.000 1.472 431 T HN 0.911 nan 8.240 nan 0.000 0.500 432 N N 0.541 119.265 118.700 0.038 0.000 2.738 432 N HA -0.220 4.522 4.740 0.004 0.000 0.249 432 N C 0.258 175.791 175.510 0.039 0.000 1.047 432 N CA 0.800 53.876 53.050 0.042 0.000 0.707 432 N CB -1.188 37.328 38.487 0.048 0.000 0.937 432 N HN 1.560 nan 8.380 nan 0.000 0.545 433 A N -0.802 122.038 122.820 0.033 0.000 2.822 433 A HA 0.019 4.342 4.320 0.004 0.000 0.287 433 A C 1.321 178.923 177.584 0.030 0.000 1.479 433 A CA 1.994 54.048 52.037 0.029 0.000 0.779 433 A CB -2.297 16.720 19.000 0.028 0.000 1.022 433 A HN 2.236 nan 8.150 nan 0.000 0.532 434 A N -2.302 120.537 122.820 0.032 0.000 3.413 434 A HA -0.365 3.957 4.320 0.004 0.000 0.268 434 A C 1.402 179.008 177.584 0.037 0.000 1.128 434 A CA 2.097 54.153 52.037 0.032 0.000 1.062 434 A CB -2.523 16.493 19.000 0.027 0.000 1.121 434 A HN 2.260 nan 8.150 nan 0.000 0.895 435 N N -0.013 118.712 118.700 0.042 0.000 2.171 435 N HA -0.087 4.656 4.740 0.004 0.000 0.184 435 N C 1.001 176.544 175.510 0.054 0.000 1.021 435 N CA 1.812 54.890 53.050 0.048 0.000 0.854 435 N CB -0.161 38.359 38.487 0.054 0.000 0.994 435 N HN 0.745 nan 8.380 nan 0.000 0.426 436 Q N 0.597 120.429 119.800 0.054 0.000 3.091 436 Q HA 0.062 4.404 4.340 0.004 0.000 0.301 436 Q C -0.376 175.657 176.000 0.055 0.000 1.337 436 Q CA -0.265 55.576 55.803 0.063 0.000 1.083 436 Q CB 0.522 29.293 28.738 0.056 0.000 1.477 436 Q HN 0.519 nan 8.270 nan 0.000 0.537 437 D N -0.441 119.990 120.400 0.051 0.000 2.350 437 D HA -0.085 4.558 4.640 0.004 0.000 0.216 437 D C 0.688 177.013 176.300 0.042 0.000 0.968 437 D CA 0.443 54.468 54.000 0.042 0.000 0.894 437 D CB 0.084 40.905 40.800 0.034 0.000 0.909 437 D HN 0.207 nan 8.370 nan 0.000 0.520 438 V N -1.590 118.354 119.914 0.049 0.000 2.686 438 V HA 0.745 4.868 4.120 0.004 0.000 0.306 438 V C -0.348 175.783 176.094 0.062 0.000 1.065 438 V CA -1.195 61.133 62.300 0.047 0.000 0.894 438 V CB 1.821 33.666 31.823 0.036 0.000 1.004 438 V HN 0.105 nan 8.190 nan 0.000 0.424 439 V N 1.117 121.066 119.914 0.059 0.000 2.962 439 V HA 0.781 4.904 4.120 0.004 0.000 0.313 439 V C 1.036 177.167 176.094 0.061 0.000 1.099 439 V CA 0.273 62.615 62.300 0.071 0.000 0.971 439 V CB 1.502 33.365 31.823 0.067 0.000 1.028 439 V HN 1.273 nan 8.190 nan 0.000 0.430 440 S N 2.280 118.021 115.700 0.068 0.000 2.425 440 S HA 0.105 4.578 4.470 0.004 0.000 0.225 440 S C 1.148 175.780 174.600 0.053 0.000 1.024 440 S CA 1.039 59.271 58.200 0.054 0.000 0.951 440 S CB -0.864 62.370 63.200 0.057 0.000 0.796 440 S HN 1.381 nan 8.310 nan 0.000 0.498 441 L N 0.382 121.640 121.223 0.059 0.000 4.001 441 L HA -0.203 4.140 4.340 0.004 0.000 0.413 441 L C 1.510 178.413 176.870 0.055 0.000 1.185 441 L CA 0.058 54.934 54.840 0.060 0.000 0.963 441 L CB -2.299 39.804 42.059 0.074 0.000 1.976 441 L HN 0.532 nan 8.230 nan 0.000 0.939 442 G N -0.454 108.377 108.800 0.051 0.000 2.432 442 G HA2 -0.187 3.776 3.960 0.004 0.000 0.219 442 G HA3 -0.187 3.776 3.960 0.004 0.000 0.219 442 G C 1.277 176.204 174.900 0.045 0.000 1.135 442 G CA 1.346 46.474 45.100 0.045 0.000 0.767 442 G HN 0.471 nan 8.290 nan 0.000 0.550 443 T N 1.254 115.833 114.554 0.042 0.000 2.821 443 T HA 0.002 4.354 4.350 0.004 0.000 0.267 443 T C 2.368 177.092 174.700 0.040 0.000 1.046 443 T CA 0.822 62.944 62.100 0.037 0.000 1.139 443 T CB -0.082 68.804 68.868 0.030 0.000 0.871 443 T HN 0.273 nan 8.240 nan 0.000 0.454 444 I N 1.563 122.159 120.570 0.043 0.000 2.252 444 I HA -0.127 4.046 4.170 0.004 0.000 0.245 444 I C 3.010 179.159 176.117 0.053 0.000 1.102 444 I CA 0.994 62.321 61.300 0.045 0.000 1.385 444 I CB -0.532 37.498 38.000 0.049 0.000 1.064 444 I HN 0.200 nan 8.210 nan 0.000 0.414 445 A N 0.913 123.768 122.820 0.058 0.000 1.883 445 A HA -0.218 4.105 4.320 0.004 0.000 0.217 445 A C 2.548 180.170 177.584 0.064 0.000 1.186 445 A CA 2.091 54.165 52.037 0.062 0.000 0.624 445 A CB -0.920 18.116 19.000 0.061 0.000 0.822 445 A HN 0.435 nan 8.150 nan 0.000 0.444 446 A N -0.499 122.359 122.820 0.064 0.000 1.933 446 A HA -0.149 4.174 4.320 0.004 0.000 0.218 446 A C 2.252 179.876 177.584 0.066 0.000 1.175 446 A CA 1.535 53.617 52.037 0.074 0.000 0.628 446 A CB -0.437 18.605 19.000 0.070 0.000 0.814 446 A HN 0.555 nan 8.150 nan 0.000 0.444 447 R N -0.578 119.954 120.500 0.054 0.000 2.092 447 R HA 0.026 4.368 4.340 0.004 0.000 0.231 447 R C 1.990 178.320 176.300 0.050 0.000 1.119 447 R CA 1.288 57.417 56.100 0.049 0.000 0.970 447 R CB -0.431 29.891 30.300 0.038 0.000 0.864 447 R HN 0.501 nan 8.270 nan 0.000 0.440 448 L N -0.277 120.976 121.223 0.049 0.000 2.141 448 L HA -0.206 4.137 4.340 0.004 0.000 0.209 448 L C 2.735 179.635 176.870 0.050 0.000 1.094 448 L CA 0.717 55.585 54.840 0.047 0.000 0.763 448 L CB -0.496 41.592 42.059 0.049 0.000 0.908 448 L HN 0.375 nan 8.230 nan 0.000 0.437 449 C N 0.378 119.710 119.300 0.054 0.000 2.446 449 C HA -0.148 4.315 4.460 0.004 0.000 0.277 449 C C 3.098 178.127 174.990 0.065 0.000 1.275 449 C CA 0.846 59.895 59.018 0.052 0.000 1.727 449 C CB -0.526 27.244 27.740 0.050 0.000 2.010 449 C HN 0.498 nan 8.230 nan 0.000 0.486 450 R N 1.273 121.815 120.500 0.070 0.000 2.081 450 R HA -0.076 4.267 4.340 0.004 0.000 0.235 450 R C 2.102 178.450 176.300 0.080 0.000 1.131 450 R CA 1.980 58.128 56.100 0.080 0.000 0.960 450 R CB -0.810 29.536 30.300 0.075 0.000 0.856 450 R HN 0.536 nan 8.270 nan 0.000 0.436 451 E N 0.770 121.009 120.200 0.066 0.000 2.077 451 E HA -0.178 4.175 4.350 0.004 0.000 0.193 451 E C 1.845 178.490 176.600 0.074 0.000 0.989 451 E CA 1.411 57.848 56.400 0.062 0.000 0.800 451 E CB -0.118 29.611 29.700 0.048 0.000 0.746 451 E HN 0.435 nan 8.360 nan 0.000 0.452 452 K N 0.329 120.773 120.400 0.074 0.000 2.097 452 K HA -0.023 4.300 4.320 0.004 0.000 0.205 452 K C 2.293 178.984 176.600 0.153 0.000 1.050 452 K CA 0.729 57.066 56.287 0.082 0.000 0.938 452 K CB -0.108 32.418 32.500 0.043 0.000 0.718 452 K HN 0.097 nan 8.250 nan 0.000 0.442 453 I N 1.449 122.120 120.570 0.170 0.000 2.286 453 I HA -0.279 3.893 4.170 0.004 0.000 0.248 453 I C 1.551 177.790 176.117 0.203 0.000 1.115 453 I CA 1.166 62.623 61.300 0.261 0.000 1.392 453 I CB -0.242 37.877 38.000 0.197 0.000 1.065 453 I HN 0.149 nan 8.210 nan 0.000 0.418 454 D N 0.559 121.036 120.400 0.129 0.000 2.144 454 D HA -0.121 4.522 4.640 0.004 0.000 0.200 454 D C 2.333 178.687 176.300 0.090 0.000 0.978 454 D CA 0.890 54.942 54.000 0.086 0.000 0.833 454 D CB -0.199 40.640 40.800 0.066 0.000 0.961 454 D HN 0.177 nan 8.370 nan 0.000 0.470 455 R N -0.040 120.530 120.500 0.116 0.000 2.092 455 R HA -0.114 4.229 4.340 0.004 0.000 0.231 455 R C 2.126 178.535 176.300 0.181 0.000 1.119 455 R CA 0.455 56.623 56.100 0.114 0.000 0.970 455 R CB -1.033 29.326 30.300 0.097 0.000 0.864 455 R HN 0.343 nan 8.270 nan 0.000 0.440 456 W N 1.899 123.200 121.300 0.002 0.000 2.338 456 W HA -0.100 4.562 4.660 0.004 0.000 0.304 456 W C 2.077 178.589 176.519 -0.013 0.000 1.212 456 W CA 1.437 58.784 57.345 0.002 0.000 1.264 456 W CB -0.608 28.860 29.460 0.015 0.000 1.142 456 W HN 0.135 nan 8.180 nan 0.000 0.512 457 A N 0.030 122.845 122.820 -0.007 0.000 1.933 457 A HA -0.201 4.122 4.320 0.004 0.000 0.218 457 A C 1.860 179.358 177.584 -0.143 0.000 1.175 457 A CA 1.875 53.794 52.037 -0.196 0.000 0.628 457 A CB -0.701 18.207 19.000 -0.153 0.000 0.814 457 A HN 0.447 nan 8.150 nan 0.000 0.444 458 E N -0.381 119.792 120.200 -0.044 0.000 2.107 458 E HA -0.074 4.279 4.350 0.004 0.000 0.191 458 E C 1.789 178.371 176.600 -0.029 0.000 0.982 458 E CA 1.016 57.392 56.400 -0.041 0.000 0.809 458 E CB -0.211 29.489 29.700 -0.000 0.000 0.756 458 E HN 0.694 nan 8.360 nan 0.000 0.459 459 I N 0.753 121.341 120.570 0.030 0.000 2.252 459 I HA -0.256 3.917 4.170 0.004 0.000 0.245 459 I C 2.150 178.276 176.117 0.015 0.000 1.102 459 I CA 0.909 62.244 61.300 0.058 0.000 1.385 459 I CB -0.084 38.006 38.000 0.150 0.000 1.064 459 I HN 0.114 nan 8.210 nan 0.000 0.414 460 L N 0.345 121.547 121.223 -0.035 0.000 2.093 460 L HA -0.171 4.171 4.340 0.004 0.000 0.208 460 L C 2.818 179.578 176.870 -0.182 0.000 1.085 460 L CA 1.157 55.933 54.840 -0.106 0.000 0.755 460 L CB -0.641 41.266 42.059 -0.253 0.000 0.904 460 L HN 0.231 nan 8.230 nan 0.000 0.435 461 A N 0.373 123.056 122.820 -0.228 0.000 1.902 461 A HA -0.186 4.137 4.320 0.004 0.000 0.217 461 A C 2.204 179.664 177.584 -0.206 0.000 1.181 461 A CA 1.529 53.398 52.037 -0.280 0.000 0.623 461 A CB -0.628 18.219 19.000 -0.255 0.000 0.818 461 A HN 0.348 nan 8.150 nan 0.000 0.443 462 I N -0.873 119.624 120.570 -0.122 0.000 2.226 462 I HA -0.221 3.952 4.170 0.004 0.000 0.245 462 I C 2.419 178.459 176.117 -0.128 0.000 1.100 462 I CA 1.167 62.417 61.300 -0.083 0.000 1.374 462 I CB -0.268 37.722 38.000 -0.017 0.000 1.057 462 I HN 0.390 nan 8.210 nan 0.000 0.413 463 L N 1.209 122.376 121.223 -0.094 0.000 2.083 463 L HA -0.146 4.196 4.340 0.004 0.000 0.209 463 L C 2.536 179.343 176.870 -0.104 0.000 1.083 463 L CA 2.093 56.884 54.840 -0.082 0.000 0.752 463 L CB -0.788 41.265 42.059 -0.010 0.000 0.899 463 L HN 0.183 nan 8.230 nan 0.000 0.433 464 A N -0.491 122.264 122.820 -0.108 0.000 1.877 464 A HA -0.163 4.160 4.320 0.004 0.000 0.216 464 A C 2.256 179.765 177.584 -0.125 0.000 1.186 464 A CA 1.983 53.971 52.037 -0.082 0.000 0.620 464 A CB -0.909 18.003 19.000 -0.146 0.000 0.822 464 A HN 0.493 nan 8.150 nan 0.000 0.443 465 L N -0.874 120.233 121.223 -0.193 0.000 2.083 465 L HA -0.241 4.102 4.340 0.004 0.000 0.209 465 L C 2.719 179.383 176.870 -0.343 0.000 1.083 465 L CA 1.168 55.910 54.840 -0.164 0.000 0.752 465 L CB -0.694 41.329 42.059 -0.061 0.000 0.899 465 L HN 0.492 nan 8.230 nan 0.000 0.433 466 C N -0.225 118.728 119.300 -0.579 0.000 2.429 466 C HA -0.131 4.332 4.460 0.004 0.000 0.277 466 C C 2.743 177.529 174.990 -0.340 0.000 1.262 466 C CA 0.468 59.007 59.018 -0.799 0.000 1.733 466 C CB -0.722 26.675 27.740 -0.573 0.000 2.010 466 C HN 0.431 nan 8.230 nan 0.000 0.483 467 L N 0.917 122.033 121.223 -0.178 0.000 2.093 467 L HA -0.131 4.212 4.340 0.004 0.000 0.208 467 L C 2.850 179.706 176.870 -0.023 0.000 1.085 467 L CA 1.429 56.231 54.840 -0.064 0.000 0.755 467 L CB -0.688 41.366 42.059 -0.008 0.000 0.904 467 L HN 0.340 nan 8.230 nan 0.000 0.435 468 A N -0.288 122.523 122.820 -0.015 0.000 1.902 468 A HA -0.296 4.027 4.320 0.004 0.000 0.217 468 A C 2.216 179.829 177.584 0.049 0.000 1.181 468 A CA 1.987 54.047 52.037 0.039 0.000 0.623 468 A CB -0.520 18.520 19.000 0.066 0.000 0.818 468 A HN 0.420 nan 8.150 nan 0.000 0.443 469 Q N -0.359 119.470 119.800 0.049 0.000 2.046 469 Q HA -0.018 4.325 4.340 0.004 0.000 0.200 469 Q C 2.089 178.123 176.000 0.058 0.000 0.975 469 Q CA 2.108 57.975 55.803 0.107 0.000 0.836 469 Q CB -0.518 28.372 28.738 0.254 0.000 0.896 469 Q HN 0.548 nan 8.270 nan 0.000 0.428 470 A N 0.446 123.271 122.820 0.009 0.000 1.908 470 A HA -0.118 4.204 4.320 0.004 0.000 0.218 470 A C 2.307 179.900 177.584 0.015 0.000 1.181 470 A CA 1.861 53.901 52.037 0.005 0.000 0.627 470 A CB -1.244 17.744 19.000 -0.019 0.000 0.818 470 A HN 0.557 nan 8.150 nan 0.000 0.445 471 A N -0.160 122.673 122.820 0.021 0.000 1.902 471 A HA -0.192 4.131 4.320 0.004 0.000 0.217 471 A C 1.929 179.530 177.584 0.028 0.000 1.181 471 A CA 1.721 53.774 52.037 0.027 0.000 0.623 471 A CB -0.502 18.519 19.000 0.035 0.000 0.818 471 A HN 0.664 nan 8.150 nan 0.000 0.443 472 E N -0.261 119.959 120.200 0.034 0.000 2.072 472 E HA -0.062 4.290 4.350 0.004 0.000 0.190 472 E C 1.951 178.565 176.600 0.024 0.000 0.982 472 E CA 0.884 57.303 56.400 0.033 0.000 0.803 472 E CB -0.258 29.468 29.700 0.044 0.000 0.755 472 E HN 0.601 nan 8.360 nan 0.000 0.453 473 L N 0.582 121.818 121.223 0.022 0.000 2.083 473 L HA -0.176 4.167 4.340 0.004 0.000 0.209 473 L C 2.665 179.537 176.870 0.004 0.000 1.083 473 L CA 1.023 55.868 54.840 0.008 0.000 0.752 473 L CB -0.186 41.874 42.059 0.003 0.000 0.899 473 L HN 0.027 nan 8.230 nan 0.000 0.433 474 R N -0.336 120.169 120.500 0.008 0.000 2.075 474 R HA -0.041 4.301 4.340 0.004 0.000 0.226 474 R C 1.788 178.093 176.300 0.008 0.000 1.114 474 R CA 1.590 57.693 56.100 0.006 0.000 0.972 474 R CB -0.364 29.941 30.300 0.007 0.000 0.869 474 R HN 0.348 nan 8.270 nan 0.000 0.437 475 C N 0.194 119.502 119.300 0.013 0.000 3.183 475 C HA 0.647 5.110 4.460 0.004 0.000 0.285 475 C C 0.571 175.570 174.990 0.015 0.000 1.313 475 C CA -0.324 58.702 59.018 0.014 0.000 1.711 475 C CB -0.745 27.006 27.740 0.018 0.000 2.135 475 C HN 0.734 nan 8.230 nan 0.000 0.651 476 G N 1.722 110.531 108.800 0.015 0.000 2.733 476 G HA2 -0.144 3.819 3.960 0.004 0.000 0.686 476 G HA3 -0.144 3.819 3.960 0.004 0.000 0.686 476 G C 0.712 175.624 174.900 0.020 0.000 1.373 476 G CA 0.085 45.194 45.100 0.015 0.000 0.838 476 G HN 0.796 nan 8.290 nan 0.000 0.588 477 S N -0.380 115.332 115.700 0.020 0.000 2.420 477 S HA -0.009 4.464 4.470 0.004 0.000 0.237 477 S C 2.413 177.028 174.600 0.024 0.000 1.023 477 S CA 1.998 60.213 58.200 0.025 0.000 0.991 477 S CB -0.273 62.941 63.200 0.023 0.000 0.792 477 S HN 2.208 nan 8.310 nan 0.000 0.488 478 G N 0.761 109.573 108.800 0.020 0.000 2.813 478 G HA2 0.345 4.308 3.960 0.004 0.000 0.209 478 G HA3 0.345 4.308 3.960 0.004 0.000 0.209 478 G C 0.572 175.485 174.900 0.021 0.000 1.150 478 G CA 0.012 45.123 45.100 0.019 0.000 0.785 478 G HN 0.629 nan 8.290 nan 0.000 0.535 479 L N 0.866 122.102 121.223 0.023 0.000 3.660 479 L HA -0.145 4.198 4.340 0.004 0.000 0.440 479 L C -0.854 176.028 176.870 0.021 0.000 1.262 479 L CA -0.095 54.759 54.840 0.024 0.000 0.837 479 L CB -1.730 40.346 42.059 0.028 0.000 1.689 479 L HN 0.218 nan 8.230 nan 0.000 0.890 480 D N 1.406 121.816 120.400 0.018 0.000 2.450 480 D HA 0.281 4.924 4.640 0.004 0.000 0.247 480 D C 1.370 177.680 176.300 0.016 0.000 1.162 480 D CA 1.400 55.409 54.000 0.016 0.000 0.879 480 D CB 1.270 42.078 40.800 0.013 0.000 1.163 480 D HN 0.543 nan 8.370 nan 0.000 0.472 481 G N 1.450 110.260 108.800 0.016 0.000 2.217 481 G HA2 -0.279 3.684 3.960 0.004 0.000 0.246 481 G HA3 -0.279 3.684 3.960 0.004 0.000 0.246 481 G C 0.455 175.367 174.900 0.020 0.000 0.990 481 G CA 0.053 45.163 45.100 0.017 0.000 0.627 481 G HN 0.518 nan 8.290 nan 0.000 0.522 482 V N 2.668 122.595 119.914 0.022 0.000 2.715 482 V HA 0.493 4.615 4.120 0.004 0.000 0.299 482 V C 1.505 177.615 176.094 0.027 0.000 1.054 482 V CA 0.171 62.487 62.300 0.027 0.000 1.077 482 V CB 1.372 33.213 31.823 0.030 0.000 0.972 482 V HN 1.091 nan 8.190 nan 0.000 0.484 483 S N 4.819 120.538 115.700 0.031 0.000 2.569 483 S HA 0.122 4.594 4.470 0.004 0.000 0.274 483 S C -1.710 172.905 174.600 0.023 0.000 1.353 483 S CA -0.597 57.620 58.200 0.029 0.000 1.023 483 S CB 0.459 63.682 63.200 0.037 0.000 0.876 483 S HN 0.582 nan 8.310 nan 0.000 0.540 484 P HA -0.041 nan 4.420 nan 0.000 0.215 484 P C 1.642 178.949 177.300 0.011 0.000 1.153 484 P CA 1.920 65.028 63.100 0.014 0.000 0.853 484 P CB -0.248 31.458 31.700 0.010 0.000 0.788 485 A N -0.228 122.597 122.820 0.008 0.000 1.902 485 A HA -0.072 4.250 4.320 0.004 0.000 0.217 485 A C 2.490 180.076 177.584 0.004 0.000 1.181 485 A CA 2.068 54.103 52.037 -0.004 0.000 0.623 485 A CB -1.889 17.104 19.000 -0.011 0.000 0.818 485 A HN 0.270 nan 8.150 nan 0.000 0.443 486 G N -0.396 108.415 108.800 0.020 0.000 2.418 486 G HA2 -0.227 3.736 3.960 0.004 0.000 0.217 486 G HA3 -0.227 3.736 3.960 0.004 0.000 0.217 486 G C 1.685 176.607 174.900 0.036 0.000 1.158 486 G CA 1.114 46.233 45.100 0.032 0.000 0.771 486 G HN 0.563 nan 8.290 nan 0.000 0.545 487 K N 0.155 120.574 120.400 0.031 0.000 2.057 487 K HA -0.065 4.257 4.320 0.004 0.000 0.207 487 K C 2.448 179.069 176.600 0.035 0.000 1.049 487 K CA 1.339 57.646 56.287 0.033 0.000 0.931 487 K CB -0.133 32.383 32.500 0.026 0.000 0.714 487 K HN 0.256 nan 8.250 nan 0.000 0.440 488 K N 1.308 121.724 120.400 0.027 0.000 2.097 488 K HA -0.118 4.204 4.320 0.004 0.000 0.206 488 K C 2.125 178.751 176.600 0.043 0.000 1.049 488 K CA 0.879 57.182 56.287 0.027 0.000 0.933 488 K CB -0.042 32.465 32.500 0.012 0.000 0.717 488 K HN 0.106 nan 8.250 nan 0.000 0.442 489 L N 0.535 121.782 121.223 0.041 0.000 2.027 489 L HA -0.152 4.191 4.340 0.004 0.000 0.206 489 L C 2.012 178.953 176.870 0.119 0.000 1.074 489 L CA 1.029 55.913 54.840 0.075 0.000 0.745 489 L CB -0.102 41.987 42.059 0.051 0.000 0.898 489 L HN 0.012 nan 8.230 nan 0.000 0.433 490 V N -0.017 119.953 119.914 0.093 0.000 2.358 490 V HA -0.287 3.836 4.120 0.004 0.000 0.246 490 V C 2.462 178.612 176.094 0.093 0.000 1.047 490 V CA 1.912 64.269 62.300 0.096 0.000 1.035 490 V CB -0.630 31.237 31.823 0.073 0.000 0.658 490 V HN 0.547 nan 8.190 nan 0.000 0.452 491 Q N 0.080 119.925 119.800 0.074 0.000 2.084 491 Q HA -0.176 4.166 4.340 0.004 0.000 0.202 491 Q C 2.438 178.481 176.000 0.072 0.000 0.978 491 Q CA 1.796 57.637 55.803 0.063 0.000 0.844 491 Q CB -0.448 28.318 28.738 0.046 0.000 0.898 491 Q HN 0.667 nan 8.270 nan 0.000 0.426 492 A N 0.979 123.851 122.820 0.087 0.000 1.902 492 A HA -0.149 4.174 4.320 0.004 0.000 0.217 492 A C 2.090 179.748 177.584 0.124 0.000 1.181 492 A CA 1.058 53.152 52.037 0.096 0.000 0.623 492 A CB -0.646 18.427 19.000 0.122 0.000 0.818 492 A HN 0.276 nan 8.150 nan 0.000 0.443 493 L N -1.078 120.250 121.223 0.175 0.000 2.046 493 L HA -0.144 4.198 4.340 0.004 0.000 0.208 493 L C 2.664 179.683 176.870 0.248 0.000 1.077 493 L CA 0.955 55.948 54.840 0.255 0.000 0.747 493 L CB -0.406 41.782 42.059 0.215 0.000 0.896 493 L HN 0.269 nan 8.230 nan 0.000 0.432 494 R N 0.272 120.864 120.500 0.154 0.000 2.285 494 R HA -0.128 4.215 4.340 0.004 0.000 0.213 494 R C 1.828 178.157 176.300 0.048 0.000 1.068 494 R CA 0.707 56.875 56.100 0.112 0.000 1.004 494 R CB -0.325 30.026 30.300 0.085 0.000 0.873 494 R HN 0.532 nan 8.270 nan 0.000 0.467 495 E N -0.014 120.201 120.200 0.025 0.000 2.204 495 E HA -0.137 4.216 4.350 0.004 0.000 0.194 495 E C 1.398 177.932 176.600 -0.111 0.000 0.989 495 E CA 0.790 57.172 56.400 -0.029 0.000 0.824 495 E CB 0.298 29.984 29.700 -0.024 0.000 0.756 495 E HN 0.214 nan 8.360 nan 0.000 0.477 496 Q N -1.305 118.378 119.800 -0.195 0.000 2.288 496 Q HA 0.138 4.481 4.340 0.004 0.000 0.256 496 Q C -0.416 175.154 176.000 -0.717 0.000 0.835 496 Q CA 0.286 55.787 55.803 -0.504 0.000 0.958 496 Q CB 0.911 29.195 28.738 -0.757 0.000 1.125 496 Q HN 0.103 nan 8.270 nan 0.000 0.513 497 F N 2.156 122.101 119.950 -0.009 0.000 2.434 497 F HA 0.434 4.964 4.527 0.004 0.000 0.355 497 F C -2.126 173.689 175.800 0.025 0.000 1.115 497 F CA -2.586 55.419 58.000 0.009 0.000 1.010 497 F CB 1.343 40.353 39.000 0.016 0.000 1.234 497 F HN -0.195 nan 8.300 nan 0.000 0.439 498 P HA 0.184 nan 4.420 nan 0.000 0.272 498 P C -2.495 174.879 177.300 0.123 0.000 1.230 498 P CA -1.016 62.142 63.100 0.097 0.000 0.788 498 P CB 0.141 31.873 31.700 0.053 0.000 0.949 499 P HA 0.104 nan 4.420 nan 0.000 0.272 499 P C -0.745 176.602 177.300 0.079 0.000 1.230 499 P CA -0.129 63.033 63.100 0.104 0.000 0.788 499 P CB 0.285 32.030 31.700 0.076 0.000 0.949 500 L N 2.372 123.644 121.223 0.081 0.000 2.328 500 L HA 0.151 4.494 4.340 0.004 0.000 0.280 500 L C 0.954 177.826 176.870 0.004 0.000 1.111 500 L CA 0.606 55.441 54.840 -0.008 0.000 0.909 500 L CB -0.686 41.280 42.059 -0.155 0.000 1.277 500 L HN 0.334 nan 8.230 nan 0.000 0.433 501 E N 1.133 121.338 120.200 0.008 0.000 2.230 501 E HA 0.034 4.387 4.350 0.004 0.000 0.192 501 E C 0.185 176.792 176.600 0.012 0.000 0.987 501 E CA 0.496 56.904 56.400 0.013 0.000 0.841 501 E CB 0.413 30.122 29.700 0.015 0.000 0.783 501 E HN 0.577 nan 8.360 nan 0.000 0.481 502 T N 0.207 114.758 114.554 -0.004 0.000 2.894 502 T HA 0.120 4.473 4.350 0.004 0.000 0.309 502 T C -1.765 172.913 174.700 -0.036 0.000 1.208 502 T CA -0.996 61.102 62.100 -0.003 0.000 1.016 502 T CB 1.344 70.212 68.868 0.000 0.000 1.192 502 T HN -0.221 nan 8.240 nan 0.000 0.491 503 D N 2.841 123.217 120.400 -0.041 0.000 2.525 503 D HA 0.321 4.964 4.640 0.004 0.000 0.235 503 D C 0.594 176.853 176.300 -0.068 0.000 1.137 503 D CA 0.712 54.666 54.000 -0.076 0.000 0.868 503 D CB 0.364 41.127 40.800 -0.063 0.000 1.180 503 D HN 0.680 nan 8.370 nan 0.000 0.465 504 R N 0.406 120.854 120.500 -0.088 0.000 2.710 504 R HA 0.616 4.959 4.340 0.004 0.000 0.270 504 R C -3.125 173.139 176.300 -0.059 0.000 1.021 504 R CA -1.724 54.341 56.100 -0.058 0.000 0.889 504 R CB 0.261 30.537 30.300 -0.042 0.000 1.243 504 R HN 0.002 nan 8.270 nan 0.000 0.464 505 P HA 0.116 nan 4.420 nan 0.000 0.267 505 P C -0.253 177.041 177.300 -0.011 0.000 1.209 505 P CA -0.158 62.928 63.100 -0.023 0.000 0.763 505 P CB 0.575 32.268 31.700 -0.011 0.000 0.816 506 L N 1.852 123.070 121.223 -0.009 0.000 2.638 506 L HA 0.147 4.490 4.340 0.004 0.000 0.232 506 L C 2.384 179.273 176.870 0.032 0.000 1.099 506 L CA 0.511 55.361 54.840 0.018 0.000 0.883 506 L CB -0.456 41.615 42.059 0.020 0.000 1.136 506 L HN 0.531 nan 8.230 nan 0.000 0.492 507 G N 0.265 109.078 108.800 0.020 0.000 2.574 507 G HA2 -0.322 3.641 3.960 0.004 0.000 0.220 507 G HA3 -0.322 3.641 3.960 0.004 0.000 0.220 507 G C 1.425 176.343 174.900 0.029 0.000 1.173 507 G CA 0.821 45.934 45.100 0.020 0.000 0.772 507 G HN 0.391 nan 8.290 nan 0.000 0.585 508 Q N -0.178 119.645 119.800 0.038 0.000 2.119 508 Q HA -0.062 4.280 4.340 0.004 0.000 0.201 508 Q C 2.522 178.576 176.000 0.090 0.000 0.972 508 Q CA 1.225 57.059 55.803 0.051 0.000 0.847 508 Q CB -0.096 28.668 28.738 0.044 0.000 0.903 508 Q HN 0.634 nan 8.270 nan 0.000 0.433 509 E N 0.633 120.905 120.200 0.120 0.000 2.106 509 E HA -0.136 4.217 4.350 0.004 0.000 0.192 509 E C 1.974 178.602 176.600 0.046 0.000 0.984 509 E CA 0.704 57.238 56.400 0.223 0.000 0.806 509 E CB -0.007 29.847 29.700 0.258 0.000 0.750 509 E HN 0.326 nan 8.360 nan 0.000 0.458 510 I N 1.117 121.681 120.570 -0.009 0.000 2.179 510 I HA -0.290 3.883 4.170 0.004 0.000 0.242 510 I C 2.538 178.625 176.117 -0.050 0.000 1.088 510 I CA 1.058 62.318 61.300 -0.066 0.000 1.357 510 I CB -0.316 37.669 38.000 -0.024 0.000 1.051 510 I HN 0.097 nan 8.210 nan 0.000 0.409 511 A N 0.647 123.466 122.820 -0.000 0.000 1.902 511 A HA -0.130 4.193 4.320 0.004 0.000 0.217 511 A C 2.534 180.133 177.584 0.026 0.000 1.181 511 A CA 1.786 53.828 52.037 0.008 0.000 0.623 511 A CB -0.778 18.235 19.000 0.021 0.000 0.818 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.498 122.367 122.820 0.075 0.000 1.877 512 A HA -0.018 4.304 4.320 0.004 0.000 0.216 512 A C 2.121 179.792 177.584 0.144 0.000 1.186 512 A CA 1.724 53.840 52.037 0.133 0.000 0.620 512 A CB -0.646 18.488 19.000 0.224 0.000 0.822 512 A HN 0.653 nan 8.150 nan 0.000 0.443 513 L N -0.140 121.128 121.223 0.075 0.000 2.046 513 L HA -0.044 4.298 4.340 0.004 0.000 0.208 513 L C 2.662 179.454 176.870 -0.130 0.000 1.077 513 L CA 2.111 56.899 54.840 -0.088 0.000 0.747 513 L CB -0.909 40.834 42.059 -0.528 0.000 0.896 513 L HN 0.356 nan 8.230 nan 0.000 0.432 514 A N -1.610 121.129 122.820 -0.136 0.000 1.908 514 A HA -0.232 4.090 4.320 0.004 0.000 0.218 514 A C 2.268 179.792 177.584 -0.100 0.000 1.181 514 A CA 2.358 54.305 52.037 -0.151 0.000 0.627 514 A CB -1.224 17.718 19.000 -0.097 0.000 0.818 514 A HN 0.509 nan 8.150 nan 0.000 0.445 515 T N -1.430 113.109 114.554 -0.024 0.000 2.788 515 T HA -0.169 4.184 4.350 0.004 0.000 0.268 515 T C 1.862 176.569 174.700 0.012 0.000 1.044 515 T CA 1.912 64.017 62.100 0.008 0.000 1.139 515 T CB -0.396 68.497 68.868 0.041 0.000 0.867 515 T HN 0.810 nan 8.240 nan 0.000 0.454 516 H N 1.172 120.202 119.070 -0.067 0.000 2.326 516 H HA 0.102 4.661 4.556 0.004 0.000 0.301 516 H C 2.011 177.266 175.328 -0.122 0.000 1.081 516 H CA 1.243 57.255 56.048 -0.060 0.000 1.334 516 H CB -0.524 29.227 29.762 -0.018 0.000 1.385 516 H HN 0.240 nan 8.280 nan 0.000 0.504 517 L N -0.037 120.982 121.223 -0.341 0.000 2.127 517 L HA -0.181 4.162 4.340 0.004 0.000 0.211 517 L C 2.353 179.055 176.870 -0.279 0.000 1.089 517 L CA 1.051 55.548 54.840 -0.572 0.000 0.757 517 L CB -0.524 41.019 42.059 -0.859 0.000 0.899 517 L HN 0.333 nan 8.230 nan 0.000 0.434 518 L N -0.805 120.299 121.223 -0.199 0.000 2.275 518 L HA -0.166 4.176 4.340 0.004 0.000 0.215 518 L C 2.282 179.108 176.870 -0.074 0.000 1.119 518 L CA 1.025 55.814 54.840 -0.084 0.000 0.790 518 L CB -0.226 41.818 42.059 -0.025 0.000 0.919 518 L HN 0.382 nan 8.230 nan 0.000 0.443 519 Q N -1.479 118.189 119.800 -0.219 0.000 2.316 519 Q HA 0.183 4.526 4.340 0.004 0.000 0.235 519 Q C 0.015 175.580 176.000 -0.725 0.000 0.863 519 Q CA 0.115 55.748 55.803 -0.284 0.000 0.939 519 Q CB 1.002 29.691 28.738 -0.082 0.000 1.108 519 Q HN 0.449 nan 8.270 nan 0.000 0.522 520 Q N -0.177 119.175 119.800 -0.747 0.000 2.379 520 Q HA 0.458 4.801 4.340 0.004 0.000 0.278 520 Q C -1.300 174.592 176.000 -0.180 0.000 1.068 520 Q CA -0.414 55.035 55.803 -0.590 0.000 0.816 520 Q CB 2.711 31.232 28.738 -0.361 0.000 1.387 520 Q HN -0.069 nan 8.270 nan 0.000 0.413 521 S N 2.081 117.745 115.700 -0.060 0.000 2.651 521 S HA 0.559 5.031 4.470 0.004 0.000 0.291 521 S C -2.406 171.978 174.600 -0.361 0.000 1.141 521 S CA -1.145 56.953 58.200 -0.169 0.000 1.027 521 S CB 0.920 64.074 63.200 -0.078 0.000 1.043 521 S HN 0.410 nan 8.310 nan 0.000 0.530 522 P HA 0.352 nan 4.420 nan 0.000 0.280 522 P C -1.045 176.056 177.300 -0.331 0.000 1.300 522 P CA -0.020 62.677 63.100 -0.671 0.000 0.785 522 P CB 0.379 31.402 31.700 -1.129 0.000 0.874 523 V N 0.000 119.816 119.914 -0.164 0.000 2.409 523 V HA 0.000 4.123 4.120 0.004 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.074 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556