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 2o6y_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 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.107 63.100 0.012 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 K N 0.590 120.999 120.400 0.016 0.000 2.513 8 K HA 0.621 4.943 4.320 0.004 0.000 0.251 8 K C -2.742 173.868 176.600 0.017 0.000 0.939 8 K CA -1.335 54.963 56.287 0.019 0.000 0.793 8 K CB 1.768 34.281 32.500 0.021 0.000 1.241 8 K HN 0.043 nan 8.250 nan 0.000 0.431 9 P HA 0.090 nan 4.420 nan 0.000 0.268 9 P C -1.523 175.786 177.300 0.014 0.000 1.208 9 P CA -0.301 62.810 63.100 0.018 0.000 0.777 9 P CB 0.893 32.608 31.700 0.024 0.000 0.875 10 A N 1.772 124.599 122.820 0.011 0.000 2.371 10 A HA 0.563 4.886 4.320 0.004 0.000 0.311 10 A C -0.995 176.591 177.584 0.004 0.000 1.068 10 A CA -0.584 51.456 52.037 0.006 0.000 0.744 10 A CB 1.177 20.180 19.000 0.004 0.000 1.239 10 A HN 0.322 nan 8.150 nan 0.000 0.435 11 V N 2.486 122.399 119.914 -0.001 0.000 2.347 11 V HA 0.298 4.421 4.120 0.004 0.000 0.280 11 V C 0.212 176.302 176.094 -0.006 0.000 1.021 11 V CA -0.357 61.940 62.300 -0.004 0.000 0.847 11 V CB 1.185 33.001 31.823 -0.011 0.000 0.990 11 V HN 0.960 nan 8.190 nan 0.000 0.444 12 E N 4.618 124.817 120.200 -0.002 0.000 2.044 12 E HA 0.348 4.701 4.350 0.004 0.000 0.282 12 E C -0.837 175.761 176.600 -0.003 0.000 1.031 12 E CA -0.765 55.634 56.400 -0.002 0.000 0.824 12 E CB 1.157 30.859 29.700 0.002 0.000 1.076 12 E HN 0.577 nan 8.360 nan 0.000 0.395 13 L N 5.331 126.548 121.223 -0.009 0.000 2.281 13 L HA 0.251 4.594 4.340 0.004 0.000 0.285 13 L C -0.097 176.770 176.870 -0.004 0.000 1.074 13 L CA 0.588 55.421 54.840 -0.012 0.000 0.817 13 L CB 1.205 43.251 42.059 -0.023 0.000 1.168 13 L HN 0.716 nan 8.230 nan 0.000 0.434 14 D N 2.752 123.155 120.400 0.004 0.000 3.074 14 D HA 0.186 4.829 4.640 0.004 0.000 0.227 14 D C 1.313 177.621 176.300 0.014 0.000 1.553 14 D CA 0.654 54.660 54.000 0.010 0.000 1.347 14 D CB 0.731 41.541 40.800 0.018 0.000 1.021 14 D HN 0.588 nan 8.370 nan 0.000 0.260 15 R N -1.555 118.964 120.500 0.033 0.000 2.197 15 R HA 0.202 4.544 4.340 0.004 0.000 0.188 15 R C 0.250 176.593 176.300 0.070 0.000 1.015 15 R CA -0.177 55.950 56.100 0.045 0.000 1.132 15 R CB 0.431 30.762 30.300 0.052 0.000 1.134 15 R HN 0.193 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 0.551 5.110 4.556 0.004 0.000 0.345 16 H C -1.332 173.990 175.328 -0.010 0.000 1.136 16 H CA -0.587 55.454 56.048 -0.013 0.000 1.202 16 H CB 1.340 31.095 29.762 -0.012 0.000 1.524 16 H HN 0.036 nan 8.280 nan 0.000 0.506 17 I N 4.358 124.583 120.570 -0.575 0.000 2.569 17 I HA 0.244 4.417 4.170 0.004 0.000 0.290 17 I C -1.181 174.655 176.117 -0.467 0.000 1.088 17 I CA -0.865 60.235 61.300 -0.332 0.000 1.047 17 I CB 1.465 39.353 38.000 -0.186 0.000 1.237 17 I HN 0.839 nan 8.210 nan 0.000 0.421 18 D N 6.103 126.394 120.400 -0.180 0.000 2.423 18 D HA 0.207 4.850 4.640 0.004 0.000 0.255 18 D C 0.983 177.256 176.300 -0.045 0.000 1.174 18 D CA -0.541 53.417 54.000 -0.070 0.000 1.008 18 D CB 0.958 41.793 40.800 0.059 0.000 1.101 18 D HN 0.507 nan 8.370 nan 0.000 0.516 19 L N -0.408 120.814 121.223 -0.002 0.000 2.131 19 L HA -0.133 4.210 4.340 0.004 0.000 0.210 19 L C 1.476 178.386 176.870 0.066 0.000 1.092 19 L CA 1.304 56.161 54.840 0.027 0.000 0.759 19 L CB -0.464 41.622 42.059 0.045 0.000 0.903 19 L HN 0.447 nan 8.230 nan 0.000 0.435 20 D N -0.244 120.196 120.400 0.066 0.000 2.117 20 D HA -0.160 4.482 4.640 0.004 0.000 0.198 20 D C 2.317 178.663 176.300 0.076 0.000 0.982 20 D CA 1.022 55.079 54.000 0.095 0.000 0.828 20 D CB -0.083 40.764 40.800 0.078 0.000 0.967 20 D HN 0.406 nan 8.370 nan 0.000 0.464 21 Q N 0.480 120.303 119.800 0.038 0.000 2.084 21 Q HA -0.074 4.268 4.340 0.004 0.000 0.202 21 Q C 2.253 178.251 176.000 -0.002 0.000 0.978 21 Q CA 1.377 57.189 55.803 0.015 0.000 0.844 21 Q CB -0.120 28.616 28.738 -0.004 0.000 0.898 21 Q HN 0.196 nan 8.270 nan 0.000 0.426 22 A N 0.929 123.743 122.820 -0.010 0.000 1.908 22 A HA -0.252 4.070 4.320 0.004 0.000 0.218 22 A C 1.964 179.528 177.584 -0.034 0.000 1.181 22 A CA 1.708 53.726 52.037 -0.031 0.000 0.627 22 A CB -0.874 18.108 19.000 -0.032 0.000 0.818 22 A HN 0.458 nan 8.150 nan 0.000 0.445 23 H N -0.102 118.920 119.070 -0.081 0.000 2.423 23 H HA 0.036 4.595 4.556 0.004 0.000 0.297 23 H C 2.256 177.503 175.328 -0.136 0.000 1.075 23 H CA 1.403 57.366 56.048 -0.142 0.000 1.342 23 H CB -0.149 29.453 29.762 -0.268 0.000 1.395 23 H HN 0.414 nan 8.280 nan 0.000 0.530 24 A N 0.487 123.299 122.820 -0.014 0.000 1.902 24 A HA -0.115 4.208 4.320 0.004 0.000 0.217 24 A C 2.829 180.370 177.584 -0.073 0.000 1.181 24 A CA 1.708 53.738 52.037 -0.012 0.000 0.623 24 A CB -0.877 18.142 19.000 0.030 0.000 0.818 24 A HN 0.286 nan 8.150 nan 0.000 0.443 25 V N -0.279 119.584 119.914 -0.085 0.000 2.307 25 V HA -0.188 3.935 4.120 0.004 0.000 0.245 25 V C 3.059 179.054 176.094 -0.166 0.000 1.045 25 V CA 1.819 64.062 62.300 -0.096 0.000 1.024 25 V CB -1.260 30.513 31.823 -0.083 0.000 0.651 25 V HN 0.606 nan 8.190 nan 0.000 0.449 26 A N 0.823 123.504 122.820 -0.231 0.000 1.940 26 A HA -0.203 4.120 4.320 0.004 0.000 0.219 26 A C 2.389 179.746 177.584 -0.379 0.000 1.176 26 A CA 2.274 54.119 52.037 -0.320 0.000 0.631 26 A CB -0.657 18.157 19.000 -0.310 0.000 0.814 26 A HN 0.699 nan 8.150 nan 0.000 0.446 27 S N -2.145 113.350 115.700 -0.342 0.000 2.593 27 S HA 0.378 4.850 4.470 0.004 0.000 0.217 27 S C 1.407 176.117 174.600 0.184 0.000 0.966 27 S CA 1.033 59.179 58.200 -0.090 0.000 0.914 27 S CB -0.246 62.821 63.200 -0.222 0.000 0.776 27 S HN 1.934 nan 8.310 nan 0.000 0.523 28 G N 0.420 109.257 108.800 0.062 0.000 2.159 28 G HA2 -0.226 3.737 3.960 0.004 0.000 0.256 28 G HA3 -0.226 3.737 3.960 0.004 0.000 0.256 28 G C 0.896 175.857 174.900 0.101 0.000 0.977 28 G CA 0.143 45.338 45.100 0.159 0.000 0.652 28 G HN 0.956 nan 8.290 nan 0.000 0.531 29 G N -0.228 108.609 108.800 0.061 0.000 2.484 29 G HA2 0.511 4.474 3.960 0.004 0.000 0.218 29 G HA3 0.511 4.474 3.960 0.004 0.000 0.218 29 G C 0.709 175.633 174.900 0.039 0.000 1.130 29 G CA 1.830 46.964 45.100 0.056 0.000 0.784 29 G HN 1.829 nan 8.290 nan 0.000 0.543 30 A N -0.256 122.577 122.820 0.021 0.000 2.498 30 A HA 0.742 5.064 4.320 0.004 0.000 0.298 30 A C 0.018 177.604 177.584 0.003 0.000 1.075 30 A CA -0.909 51.136 52.037 0.013 0.000 0.714 30 A CB 1.282 20.288 19.000 0.009 0.000 1.299 30 A HN 0.412 nan 8.150 nan 0.000 0.407 31 R N 1.057 121.559 120.500 0.004 0.000 2.549 31 R HA 0.808 5.151 4.340 0.004 0.000 0.267 31 R C -0.825 175.469 176.300 -0.011 0.000 1.045 31 R CA -0.480 55.618 56.100 -0.002 0.000 1.115 31 R CB 0.955 31.257 30.300 0.002 0.000 1.121 31 R HN 0.642 nan 8.270 nan 0.000 0.543 32 I N 1.143 121.703 120.570 -0.017 0.000 2.608 32 I HA 0.465 4.638 4.170 0.004 0.000 0.295 32 I C -1.423 174.685 176.117 -0.016 0.000 1.049 32 I CA -1.216 60.072 61.300 -0.020 0.000 1.063 32 I CB 2.299 40.280 38.000 -0.032 0.000 1.248 32 I HN 0.428 nan 8.210 nan 0.000 0.424 33 V N 6.943 126.849 119.914 -0.014 0.000 2.841 33 V HA 0.376 4.498 4.120 0.004 0.000 0.310 33 V C -0.752 175.335 176.094 -0.012 0.000 1.090 33 V CA -0.727 61.566 62.300 -0.011 0.000 0.930 33 V CB 1.996 33.815 31.823 -0.007 0.000 1.014 33 V HN 0.519 nan 8.190 nan 0.000 0.425 34 L N 3.885 125.101 121.223 -0.012 0.000 2.281 34 L HA 0.745 5.087 4.340 0.004 0.000 0.285 34 L C 0.714 177.579 176.870 -0.007 0.000 1.074 34 L CA 0.346 55.179 54.840 -0.011 0.000 0.817 34 L CB 0.961 43.012 42.059 -0.014 0.000 1.168 34 L HN 0.876 nan 8.230 nan 0.000 0.434 35 A N 6.832 129.649 122.820 -0.005 0.000 2.445 35 A HA 0.364 4.687 4.320 0.004 0.000 0.242 35 A C -1.609 175.974 177.584 -0.002 0.000 1.075 35 A CA -0.774 51.262 52.037 -0.002 0.000 0.777 35 A CB -0.336 18.665 19.000 0.002 0.000 1.013 35 A HN 0.788 nan 8.150 nan 0.000 0.493 36 P HA -0.155 nan 4.420 nan 0.000 0.216 36 P C -1.454 175.845 177.300 -0.001 0.000 1.157 36 P CA 1.845 64.943 63.100 -0.002 0.000 0.880 36 P CB -0.743 30.956 31.700 -0.001 0.000 0.791 37 P HA -0.133 nan 4.420 nan 0.000 0.217 37 P C 1.386 178.687 177.300 0.002 0.000 1.150 37 P CA 1.902 65.003 63.100 0.002 0.000 0.832 37 P CB -0.590 31.113 31.700 0.004 0.000 0.787 38 A N -0.167 122.653 122.820 0.001 0.000 1.897 38 A HA -0.173 4.149 4.320 0.004 0.000 0.215 38 A C 2.399 179.981 177.584 -0.004 0.000 1.181 38 A CA 1.288 53.325 52.037 -0.000 0.000 0.620 38 A CB -1.119 17.880 19.000 -0.002 0.000 0.821 38 A HN 0.005 nan 8.150 nan 0.000 0.443 39 R N -0.201 120.296 120.500 -0.006 0.000 2.091 39 R HA -0.180 4.163 4.340 0.004 0.000 0.238 39 R C 1.232 177.526 176.300 -0.010 0.000 1.136 39 R CA 1.947 58.041 56.100 -0.010 0.000 0.959 39 R CB -0.351 29.943 30.300 -0.010 0.000 0.856 39 R HN 0.469 nan 8.270 nan 0.000 0.437 40 D N -0.014 120.383 120.400 -0.006 0.000 2.123 40 D HA -0.114 4.529 4.640 0.004 0.000 0.200 40 D C 2.025 178.323 176.300 -0.003 0.000 0.976 40 D CA 0.961 54.958 54.000 -0.005 0.000 0.831 40 D CB -0.137 40.661 40.800 -0.002 0.000 0.974 40 D HN 0.295 nan 8.370 nan 0.000 0.469 41 R N 0.133 120.633 120.500 0.000 0.000 2.096 41 R HA -0.059 4.283 4.340 0.004 0.000 0.235 41 R C 2.455 178.757 176.300 0.003 0.000 1.127 41 R CA 0.853 56.955 56.100 0.004 0.000 0.968 41 R CB -0.415 29.889 30.300 0.008 0.000 0.861 41 R HN 0.223 nan 8.270 nan 0.000 0.440 42 C N -0.104 119.194 119.300 -0.002 0.000 2.457 42 C HA 0.023 4.486 4.460 0.004 0.000 0.278 42 C C 2.544 177.523 174.990 -0.018 0.000 1.309 42 C CA 0.337 59.350 59.018 -0.007 0.000 1.735 42 C CB -0.720 27.012 27.740 -0.013 0.000 1.992 42 C HN 0.446 nan 8.230 nan 0.000 0.493 43 R N 1.144 121.632 120.500 -0.019 0.000 2.092 43 R HA -0.069 4.274 4.340 0.004 0.000 0.231 43 R C 2.379 178.666 176.300 -0.021 0.000 1.119 43 R CA 1.504 57.589 56.100 -0.025 0.000 0.970 43 R CB -0.416 29.872 30.300 -0.019 0.000 0.864 43 R HN 0.535 nan 8.270 nan 0.000 0.440 44 A N 0.237 123.050 122.820 -0.012 0.000 1.898 44 A HA -0.162 4.160 4.320 0.004 0.000 0.216 44 A C 2.173 179.749 177.584 -0.014 0.000 1.181 44 A CA 1.761 53.792 52.037 -0.009 0.000 0.620 44 A CB -0.515 18.485 19.000 0.001 0.000 0.819 44 A HN 0.281 nan 8.150 nan 0.000 0.442 45 S N -0.896 114.798 115.700 -0.010 0.000 2.383 45 S HA -0.166 4.307 4.470 0.004 0.000 0.227 45 S C 1.988 176.546 174.600 -0.071 0.000 1.026 45 S CA 1.437 59.629 58.200 -0.013 0.000 0.981 45 S CB -0.313 62.903 63.200 0.027 0.000 0.818 45 S HN 0.666 nan 8.310 nan 0.000 0.472 46 E N 0.302 120.466 120.200 -0.060 0.000 2.110 46 E HA -0.120 4.233 4.350 0.004 0.000 0.193 46 E C 2.022 178.576 176.600 -0.078 0.000 0.988 46 E CA 1.020 57.374 56.400 -0.077 0.000 0.804 46 E CB -0.288 29.373 29.700 -0.066 0.000 0.745 46 E HN 0.611 nan 8.360 nan 0.000 0.458 47 A N 1.124 123.910 122.820 -0.057 0.000 1.929 47 A HA -0.120 4.203 4.320 0.004 0.000 0.216 47 A C 2.099 179.639 177.584 -0.073 0.000 1.176 47 A CA 0.987 52.996 52.037 -0.047 0.000 0.628 47 A CB -0.297 18.687 19.000 -0.026 0.000 0.816 47 A HN 0.149 nan 8.150 nan 0.000 0.444 48 R N -1.091 119.352 120.500 -0.096 0.000 2.075 48 R HA -0.084 4.259 4.340 0.004 0.000 0.232 48 R C 2.092 178.240 176.300 -0.252 0.000 1.126 48 R CA 1.347 57.374 56.100 -0.121 0.000 0.963 48 R CB -0.608 29.645 30.300 -0.078 0.000 0.858 48 R HN 0.487 nan 8.270 nan 0.000 0.435 49 L N 0.766 121.749 121.223 -0.400 0.000 2.046 49 L HA -0.046 4.297 4.340 0.004 0.000 0.208 49 L C 2.150 178.875 176.870 -0.242 0.000 1.077 49 L CA 2.157 56.673 54.840 -0.540 0.000 0.747 49 L CB -1.054 40.714 42.059 -0.484 0.000 0.896 49 L HN 0.174 nan 8.230 nan 0.000 0.432 50 G N -1.013 107.703 108.800 -0.139 0.000 2.446 50 G HA2 -0.293 3.670 3.960 0.004 0.000 0.217 50 G HA3 -0.293 3.670 3.960 0.004 0.000 0.217 50 G C 1.595 176.462 174.900 -0.055 0.000 1.168 50 G CA 0.989 46.049 45.100 -0.066 0.000 0.771 50 G HN 0.668 nan 8.290 nan 0.000 0.551 51 A N 0.061 122.846 122.820 -0.058 0.000 1.877 51 A HA 0.083 4.406 4.320 0.004 0.000 0.216 51 A C 2.610 180.183 177.584 -0.018 0.000 1.186 51 A CA 1.811 53.830 52.037 -0.030 0.000 0.620 51 A CB -0.722 18.265 19.000 -0.022 0.000 0.822 51 A HN 0.272 nan 8.150 nan 0.000 0.443 52 V N 0.356 120.249 119.914 -0.036 0.000 2.332 52 V HA -0.301 3.822 4.120 0.004 0.000 0.248 52 V C 2.406 178.516 176.094 0.026 0.000 1.055 52 V CA 2.173 64.482 62.300 0.016 0.000 1.038 52 V CB -0.675 31.161 31.823 0.021 0.000 0.651 52 V HN 0.577 nan 8.190 nan 0.000 0.450 53 I N -0.771 119.795 120.570 -0.007 0.000 2.286 53 I HA -0.183 3.990 4.170 0.004 0.000 0.245 53 I C 2.725 178.846 176.117 0.006 0.000 1.104 53 I CA 1.333 62.637 61.300 0.006 0.000 1.397 53 I CB -0.435 37.559 38.000 -0.010 0.000 1.072 53 I HN 0.204 nan 8.210 nan 0.000 0.417 54 R N 0.990 121.488 120.500 -0.003 0.000 2.096 54 R HA -0.157 4.185 4.340 0.004 0.000 0.235 54 R C 1.766 178.071 176.300 0.007 0.000 1.127 54 R CA 1.325 57.423 56.100 -0.002 0.000 0.968 54 R CB -0.291 30.005 30.300 -0.006 0.000 0.861 54 R HN 0.479 nan 8.270 nan 0.000 0.440 55 E N 0.174 120.383 120.200 0.015 0.000 2.511 55 E HA 0.078 4.431 4.350 0.004 0.000 0.196 55 E C 0.398 177.017 176.600 0.031 0.000 1.066 55 E CA 0.360 56.773 56.400 0.023 0.000 0.871 55 E CB 0.305 30.024 29.700 0.031 0.000 0.863 55 E HN 0.329 nan 8.360 nan 0.000 0.520 56 A N 2.073 124.912 122.820 0.031 0.000 2.791 56 A HA -0.230 4.093 4.320 0.004 0.000 0.292 56 A C 0.101 177.720 177.584 0.059 0.000 1.487 56 A CA 0.559 52.617 52.037 0.034 0.000 0.760 56 A CB -1.344 17.665 19.000 0.015 0.000 1.031 56 A HN 0.146 nan 8.150 nan 0.000 0.503 57 R N 0.023 120.576 120.500 0.088 0.000 2.643 57 R HA 0.112 4.454 4.340 0.004 0.000 0.270 57 R C 0.528 176.940 176.300 0.186 0.000 1.061 57 R CA -0.072 56.106 56.100 0.131 0.000 1.107 57 R CB 0.112 30.502 30.300 0.149 0.000 0.999 57 R HN 0.722 nan 8.270 nan 0.000 0.460 58 H N 1.613 120.723 119.070 0.066 0.000 3.157 58 H HA 0.231 4.789 4.556 0.004 0.000 0.260 58 H C -0.910 174.484 175.328 0.109 0.000 1.232 58 H CA -0.414 55.663 56.048 0.049 0.000 1.488 58 H CB 0.187 29.953 29.762 0.007 0.000 1.548 58 H HN 0.042 nan 8.280 nan 0.000 0.487 59 V N 6.221 126.337 119.914 0.336 0.000 2.686 59 V HA 0.005 4.127 4.120 0.004 0.000 0.306 59 V C -0.741 175.580 176.094 0.379 0.000 1.065 59 V CA -1.011 61.523 62.300 0.389 0.000 0.894 59 V CB 1.356 33.397 31.823 0.363 0.000 1.004 59 V HN 0.647 nan 8.190 nan 0.000 0.424 60 Y N 3.690 124.235 120.300 0.409 0.000 2.721 60 Y HA 0.362 4.914 4.550 0.004 0.000 0.329 60 Y C 1.365 177.348 175.900 0.139 0.000 1.211 60 Y CA 1.887 60.112 58.100 0.208 0.000 1.512 60 Y CB 0.543 39.173 38.460 0.283 0.000 1.249 60 Y HN 1.060 nan 8.280 nan 0.000 0.549 61 G N 4.100 112.608 108.800 -0.487 0.000 2.205 61 G HA2 -0.296 3.666 3.960 0.004 0.000 0.261 61 G HA3 -0.296 3.666 3.960 0.004 0.000 0.261 61 G C 0.579 175.449 174.900 -0.050 0.000 0.980 61 G CA 0.582 45.513 45.100 -0.281 0.000 0.632 61 G HN 0.670 nan 8.290 nan 0.000 0.533 62 L N -0.349 120.873 121.223 -0.002 0.000 2.547 62 L HA 0.282 4.625 4.340 0.004 0.000 0.218 62 L C 2.205 179.075 176.870 0.001 0.000 1.048 62 L CA 1.544 56.412 54.840 0.047 0.000 0.859 62 L CB 0.388 42.523 42.059 0.126 0.000 1.128 62 L HN 0.421 nan 8.230 nan 0.000 0.483 63 T N -3.892 110.660 114.554 -0.003 0.000 3.275 63 T HA 0.192 4.545 4.350 0.004 0.000 0.298 63 T C 0.258 174.915 174.700 -0.071 0.000 0.988 63 T CA 0.058 62.144 62.100 -0.024 0.000 0.936 63 T CB 0.050 68.930 68.868 0.021 0.000 1.159 63 T HN 0.204 nan 8.240 nan 0.000 0.519 64 T N -1.812 112.648 114.554 -0.157 0.000 2.864 64 T HA 0.769 5.122 4.350 0.004 0.000 0.299 64 T C 0.514 174.918 174.700 -0.492 0.000 1.166 64 T CA -0.304 61.670 62.100 -0.211 0.000 1.007 64 T CB 1.471 70.301 68.868 -0.063 0.000 1.219 64 T HN 0.281 nan 8.240 nan 0.000 0.506 65 G N -0.023 108.535 108.800 -0.403 0.000 2.588 65 G HA2 0.557 4.520 3.960 0.004 0.000 0.278 65 G HA3 0.557 4.520 3.960 0.004 0.000 0.278 65 G C -1.025 173.421 174.900 -0.757 0.000 1.307 65 G CA -0.792 43.994 45.100 -0.524 0.000 1.016 65 G HN 0.561 nan 8.290 nan 0.000 0.503 66 F N -0.703 119.176 119.950 -0.118 0.000 2.470 66 F HA 0.596 5.125 4.527 0.004 0.000 0.329 66 F C 1.200 177.079 175.800 0.130 0.000 1.072 66 F CA 0.457 58.430 58.000 -0.046 0.000 0.989 66 F CB 1.386 40.392 39.000 0.011 0.000 1.193 66 F HN 1.020 nan 8.300 nan 0.000 0.481 67 G N 2.023 111.127 108.800 0.506 0.000 2.596 67 G HA2 -0.290 3.673 3.960 0.004 0.000 0.295 67 G HA3 -0.290 3.673 3.960 0.004 0.000 0.295 67 G C -1.879 173.138 174.900 0.196 0.000 1.240 67 G CA -0.075 45.193 45.100 0.280 0.000 0.985 67 G HN 0.517 nan 8.290 nan 0.000 0.555 68 P HA 0.124 nan 4.420 nan 0.000 0.226 68 P C 1.769 179.106 177.300 0.062 0.000 1.153 68 P CA 0.796 63.942 63.100 0.077 0.000 0.777 68 P CB -0.073 31.658 31.700 0.052 0.000 0.794 69 L N -1.519 119.739 121.223 0.058 0.000 2.627 69 L HA 0.123 4.466 4.340 0.004 0.000 0.233 69 L C 2.006 178.874 176.870 -0.004 0.000 1.144 69 L CA 0.132 54.981 54.840 0.016 0.000 0.892 69 L CB -0.708 41.348 42.059 -0.005 0.000 1.039 69 L HN -0.034 nan 8.230 nan 0.000 0.442 70 A N 1.263 124.115 122.820 0.052 0.000 2.172 70 A HA -0.161 4.161 4.320 0.004 0.000 0.216 70 A C 1.938 179.554 177.584 0.052 0.000 1.154 70 A CA 1.310 53.382 52.037 0.058 0.000 0.701 70 A CB -0.509 18.630 19.000 0.232 0.000 0.789 70 A HN 0.647 nan 8.150 nan 0.000 0.465 71 N N -0.597 118.125 118.700 0.036 0.000 2.461 71 N HA -0.020 4.723 4.740 0.004 0.000 0.188 71 N C -0.017 175.485 175.510 -0.012 0.000 1.134 71 N CA 0.185 53.250 53.050 0.025 0.000 0.878 71 N CB -0.166 38.335 38.487 0.023 0.000 0.972 71 N HN 0.160 nan 8.380 nan 0.000 0.456 72 R N 1.007 121.488 120.500 -0.032 0.000 2.204 72 R HA 0.399 4.742 4.340 0.004 0.000 0.341 72 R C -0.192 176.059 176.300 -0.082 0.000 1.035 72 R CA -0.317 55.750 56.100 -0.054 0.000 0.887 72 R CB 0.706 30.973 30.300 -0.056 0.000 1.114 72 R HN 0.146 nan 8.270 nan 0.000 0.473 73 L N 3.842 125.011 121.223 -0.090 0.000 2.417 73 L HA 0.364 4.707 4.340 0.004 0.000 0.268 73 L C 0.126 176.938 176.870 -0.097 0.000 1.158 73 L CA -0.341 54.430 54.840 -0.116 0.000 0.819 73 L CB 0.549 42.517 42.059 -0.152 0.000 1.112 73 L HN 0.347 nan 8.230 nan 0.000 0.458 74 I N 1.223 121.735 120.570 -0.097 0.000 2.509 74 I HA 0.204 4.377 4.170 0.004 0.000 0.293 74 I C 0.270 176.352 176.117 -0.057 0.000 1.020 74 I CA -0.293 60.960 61.300 -0.077 0.000 1.088 74 I CB 1.702 39.647 38.000 -0.093 0.000 1.267 74 I HN 0.525 nan 8.210 nan 0.000 0.430 75 S N 3.137 118.810 115.700 -0.044 0.000 2.576 75 S HA 0.290 4.763 4.470 0.004 0.000 0.276 75 S C 1.478 176.062 174.600 -0.025 0.000 1.339 75 S CA 0.221 58.401 58.200 -0.033 0.000 1.039 75 S CB 1.129 64.312 63.200 -0.027 0.000 0.902 75 S HN 0.885 nan 8.310 nan 0.000 0.516 76 G N 2.695 111.483 108.800 -0.019 0.000 2.462 76 G HA2 -0.228 3.735 3.960 0.004 0.000 0.220 76 G HA3 -0.228 3.735 3.960 0.004 0.000 0.220 76 G C 1.127 176.019 174.900 -0.013 0.000 1.121 76 G CA 1.047 46.139 45.100 -0.013 0.000 0.758 76 G HN 0.951 nan 8.290 nan 0.000 0.559 77 E N 0.101 120.292 120.200 -0.014 0.000 2.409 77 E HA -0.040 4.312 4.350 0.004 0.000 0.198 77 E C 0.933 177.527 176.600 -0.011 0.000 1.024 77 E CA 0.683 57.075 56.400 -0.013 0.000 0.861 77 E CB -0.081 29.611 29.700 -0.012 0.000 0.788 77 E HN 0.326 nan 8.360 nan 0.000 0.521 78 N N 0.618 119.311 118.700 -0.012 0.000 2.235 78 N HA 0.076 4.818 4.740 0.004 0.000 0.231 78 N C 1.101 176.609 175.510 -0.004 0.000 1.177 78 N CA 0.051 53.097 53.050 -0.008 0.000 0.874 78 N CB 1.322 39.803 38.487 -0.010 0.000 1.097 78 N HN 0.032 nan 8.380 nan 0.000 0.518 79 V N 0.924 120.835 119.914 -0.004 0.000 2.427 79 V HA -0.160 3.963 4.120 0.004 0.000 0.248 79 V C 2.396 178.499 176.094 0.015 0.000 1.051 79 V CA 1.316 63.618 62.300 0.005 0.000 1.048 79 V CB -0.188 31.638 31.823 0.006 0.000 0.666 79 V HN 0.234 nan 8.190 nan 0.000 0.456 80 R N 0.252 120.755 120.500 0.005 0.000 2.081 80 R HA -0.117 4.226 4.340 0.004 0.000 0.235 80 R C 2.358 178.659 176.300 0.002 0.000 1.131 80 R CA 1.939 58.039 56.100 0.001 0.000 0.960 80 R CB -1.321 28.975 30.300 -0.006 0.000 0.856 80 R HN 0.510 nan 8.270 nan 0.000 0.436 81 T N 2.262 116.821 114.554 0.009 0.000 2.777 81 T HA -0.103 4.250 4.350 0.004 0.000 0.266 81 T C 1.889 176.610 174.700 0.034 0.000 1.040 81 T CA 0.952 63.062 62.100 0.016 0.000 1.141 81 T CB -0.277 68.604 68.868 0.022 0.000 0.868 81 T HN 0.080 nan 8.240 nan 0.000 0.444 82 L N 1.395 122.647 121.223 0.049 0.000 2.012 82 L HA -0.153 4.189 4.340 0.004 0.000 0.210 82 L C 2.389 179.372 176.870 0.188 0.000 1.073 82 L CA 1.849 56.753 54.840 0.106 0.000 0.748 82 L CB -0.633 41.454 42.059 0.046 0.000 0.891 82 L HN 0.251 nan 8.230 nan 0.000 0.431 83 Q N -0.932 118.938 119.800 0.116 0.000 2.230 83 Q HA -0.049 4.293 4.340 0.004 0.000 0.202 83 Q C 2.204 178.167 176.000 -0.062 0.000 0.963 83 Q CA 1.081 56.931 55.803 0.078 0.000 0.866 83 Q CB -0.240 28.534 28.738 0.060 0.000 0.931 83 Q HN 0.704 nan 8.270 nan 0.000 0.452 84 A N 1.747 124.509 122.820 -0.097 0.000 1.898 84 A HA -0.158 4.165 4.320 0.004 0.000 0.216 84 A C 1.738 179.051 177.584 -0.451 0.000 1.181 84 A CA 1.250 53.124 52.037 -0.271 0.000 0.620 84 A CB -0.269 18.608 19.000 -0.204 0.000 0.819 84 A HN 0.248 nan 8.150 nan 0.000 0.442 85 N N -0.257 118.348 118.700 -0.160 0.000 2.459 85 N HA -0.071 4.672 4.740 0.004 0.000 0.181 85 N C 1.487 177.023 175.510 0.044 0.000 1.046 85 N CA 0.990 54.041 53.050 0.002 0.000 0.904 85 N CB -0.357 38.218 38.487 0.146 0.000 0.964 85 N HN 0.462 nan 8.380 nan 0.000 0.444 86 L N 0.709 121.884 121.223 -0.079 0.000 1.994 86 L HA -0.068 4.275 4.340 0.004 0.000 0.208 86 L C 1.893 178.459 176.870 -0.507 0.000 1.071 86 L CA 1.456 56.072 54.840 -0.372 0.000 0.745 86 L CB -0.710 40.965 42.059 -0.640 0.000 0.892 86 L HN -0.129 nan 8.230 nan 0.000 0.431 87 V N -0.226 119.468 119.914 -0.367 0.000 2.407 87 V HA -0.331 3.792 4.120 0.004 0.000 0.248 87 V C 2.405 178.361 176.094 -0.229 0.000 1.055 87 V CA 2.184 64.291 62.300 -0.321 0.000 1.049 87 V CB -1.019 30.646 31.823 -0.263 0.000 0.662 87 V HN 0.626 nan 8.190 nan 0.000 0.455 88 H N -0.375 118.584 119.070 -0.184 0.000 2.293 88 H HA -0.179 4.380 4.556 0.004 0.000 0.300 88 H C 2.365 177.625 175.328 -0.113 0.000 1.082 88 H CA 1.670 57.645 56.048 -0.122 0.000 1.308 88 H CB -0.192 29.548 29.762 -0.036 0.000 1.375 88 H HN 0.661 nan 8.280 nan 0.000 0.495 89 H N 0.524 119.617 119.070 0.038 0.000 2.491 89 H HA -0.038 4.520 4.556 0.004 0.000 0.290 89 H C 1.843 177.140 175.328 -0.051 0.000 1.050 89 H CA 0.778 56.821 56.048 -0.008 0.000 1.309 89 H CB -0.201 29.560 29.762 -0.002 0.000 1.392 89 H HN 0.333 nan 8.280 nan 0.000 0.554 90 L N 0.898 121.788 121.223 -0.554 0.000 2.341 90 L HA 0.154 4.497 4.340 0.004 0.000 0.214 90 L C 1.928 178.650 176.870 -0.246 0.000 1.115 90 L CA 0.373 54.970 54.840 -0.405 0.000 0.820 90 L CB -0.062 41.693 42.059 -0.508 0.000 0.944 90 L HN 0.251 nan 8.230 nan 0.000 0.452 91 A N 0.165 122.802 122.820 -0.305 0.000 3.029 91 A HA 0.128 4.451 4.320 0.004 0.000 0.251 91 A C 1.260 178.785 177.584 -0.099 0.000 1.749 91 A CA 0.372 52.099 52.037 -0.517 0.000 1.386 91 A CB -0.685 17.971 19.000 -0.574 0.000 1.043 91 A HN 0.371 nan 8.150 nan 0.000 0.638 92 S N -0.567 115.178 115.700 0.076 0.000 2.602 92 S HA 0.374 4.847 4.470 0.004 0.000 0.240 92 S C 0.874 175.576 174.600 0.169 0.000 0.992 92 S CA 0.087 58.359 58.200 0.121 0.000 0.971 92 S CB 0.022 63.261 63.200 0.065 0.000 0.855 92 S HN 0.760 nan 8.310 nan 0.000 0.481 93 G N 1.519 110.528 108.800 0.349 0.000 2.544 93 G HA2 0.496 4.458 3.960 0.004 0.000 0.242 93 G HA3 0.496 4.458 3.960 0.004 0.000 0.242 93 G C -0.130 174.739 174.900 -0.051 0.000 1.247 93 G CA 0.132 45.274 45.100 0.070 0.000 0.840 93 G HN 1.062 nan 8.290 nan 0.000 0.578 94 V N -0.903 118.975 119.914 -0.060 0.000 3.182 94 V HA 1.033 5.155 4.120 0.004 0.000 0.308 94 V C 0.567 176.625 176.094 -0.060 0.000 1.240 94 V CA -0.068 62.199 62.300 -0.056 0.000 1.063 94 V CB 1.116 32.927 31.823 -0.020 0.000 1.076 94 V HN 2.563 nan 8.190 nan 0.000 0.446 95 G N 0.545 109.317 108.800 -0.046 0.000 2.712 95 G HA2 0.066 4.029 3.960 0.004 0.000 0.683 95 G HA3 0.066 4.029 3.960 0.004 0.000 0.683 95 G C -2.740 172.135 174.900 -0.042 0.000 1.320 95 G CA -0.301 44.778 45.100 -0.036 0.000 0.847 95 G HN 1.141 nan 8.290 nan 0.000 0.553 96 P HA 0.401 nan 4.420 nan 0.000 0.267 96 P C 0.843 178.125 177.300 -0.029 0.000 1.200 96 P CA 0.465 63.553 63.100 -0.020 0.000 0.772 96 P CB 0.809 32.506 31.700 -0.004 0.000 0.855 97 V N 1.484 121.381 119.914 -0.027 0.000 2.924 97 V HA 0.166 4.288 4.120 0.004 0.000 0.305 97 V C 0.636 176.726 176.094 -0.008 0.000 1.073 97 V CA -0.674 61.606 62.300 -0.034 0.000 1.098 97 V CB -0.443 31.365 31.823 -0.026 0.000 1.000 97 V HN 0.300 nan 8.190 nan 0.000 0.484 98 L N 2.847 124.062 121.223 -0.013 0.000 2.461 98 L HA 0.254 4.597 4.340 0.004 0.000 0.272 98 L C 0.678 177.571 176.870 0.038 0.000 1.197 98 L CA -0.221 54.623 54.840 0.008 0.000 0.836 98 L CB 0.187 42.241 42.059 -0.008 0.000 1.105 98 L HN 1.029 nan 8.230 nan 0.000 0.477 99 D N 0.195 120.633 120.400 0.063 0.000 2.362 99 D HA -0.134 4.509 4.640 0.004 0.000 0.238 99 D C 0.730 177.124 176.300 0.155 0.000 1.212 99 D CA -0.386 53.684 54.000 0.117 0.000 0.902 99 D CB 0.527 41.402 40.800 0.124 0.000 1.180 99 D HN 0.542 nan 8.370 nan 0.000 0.445 100 W N 1.135 122.441 121.300 0.010 0.000 2.301 100 W HA -0.293 4.369 4.660 0.004 0.000 0.325 100 W C 2.246 178.762 176.519 -0.005 0.000 1.250 100 W CA 2.739 60.089 57.345 0.009 0.000 1.261 100 W CB -0.849 28.618 29.460 0.012 0.000 1.157 100 W HN 0.450 nan 8.180 nan 0.000 0.473 101 T N -0.285 114.396 114.554 0.213 0.000 2.746 101 T HA -0.215 4.138 4.350 0.004 0.000 0.267 101 T C 1.566 176.194 174.700 -0.119 0.000 1.039 101 T CA 2.319 64.396 62.100 -0.037 0.000 1.142 101 T CB -0.895 68.041 68.868 0.114 0.000 0.866 101 T HN 0.190 nan 8.240 nan 0.000 0.444 102 T N 1.927 116.469 114.554 -0.020 0.000 2.777 102 T HA 0.031 4.383 4.350 0.004 0.000 0.266 102 T C 2.430 177.089 174.700 -0.069 0.000 1.040 102 T CA 1.076 63.162 62.100 -0.023 0.000 1.141 102 T CB -0.515 68.367 68.868 0.025 0.000 0.868 102 T HN 0.429 nan 8.240 nan 0.000 0.444 103 A N 1.743 124.511 122.820 -0.087 0.000 1.933 103 A HA -0.101 4.222 4.320 0.004 0.000 0.218 103 A C 2.371 179.858 177.584 -0.162 0.000 1.175 103 A CA 1.371 53.345 52.037 -0.105 0.000 0.628 103 A CB -0.452 18.492 19.000 -0.094 0.000 0.814 103 A HN 0.399 nan 8.150 nan 0.000 0.444 104 R N -0.595 119.742 120.500 -0.272 0.000 2.115 104 R HA 0.014 4.357 4.340 0.004 0.000 0.230 104 R C 2.389 178.560 176.300 -0.215 0.000 1.111 104 R CA 1.023 56.935 56.100 -0.312 0.000 0.976 104 R CB -0.388 29.579 30.300 -0.556 0.000 0.870 104 R HN 0.502 nan 8.270 nan 0.000 0.445 105 A N 1.058 123.769 122.820 -0.182 0.000 1.969 105 A HA -0.172 4.151 4.320 0.004 0.000 0.218 105 A C 2.093 179.626 177.584 -0.086 0.000 1.169 105 A CA 1.217 53.180 52.037 -0.123 0.000 0.635 105 A CB -0.419 18.532 19.000 -0.081 0.000 0.810 105 A HN 0.325 nan 8.150 nan 0.000 0.445 106 M N -0.341 119.211 119.600 -0.079 0.000 2.132 106 M HA -0.105 4.378 4.480 0.004 0.000 0.263 106 M C 1.855 178.119 176.300 -0.060 0.000 1.065 106 M CA 1.877 57.142 55.300 -0.057 0.000 1.122 106 M CB -0.206 32.365 32.600 -0.049 0.000 1.365 106 M HN 0.183 nan 8.290 nan 0.000 0.411 107 V N 1.156 121.023 119.914 -0.077 0.000 2.332 107 V HA -0.277 3.846 4.120 0.004 0.000 0.248 107 V C 2.432 178.487 176.094 -0.065 0.000 1.055 107 V CA 1.749 64.008 62.300 -0.067 0.000 1.038 107 V CB -0.967 30.809 31.823 -0.078 0.000 0.651 107 V HN 0.589 nan 8.190 nan 0.000 0.450 108 L N 0.981 122.155 121.223 -0.082 0.000 2.046 108 L HA -0.094 4.249 4.340 0.004 0.000 0.208 108 L C 2.449 179.282 176.870 -0.060 0.000 1.077 108 L CA 2.393 57.187 54.840 -0.075 0.000 0.747 108 L CB -1.007 40.997 42.059 -0.092 0.000 0.896 108 L HN 0.217 nan 8.230 nan 0.000 0.432 109 A N -0.412 122.374 122.820 -0.056 0.000 1.908 109 A HA -0.271 4.052 4.320 0.004 0.000 0.218 109 A C 2.468 180.030 177.584 -0.037 0.000 1.181 109 A CA 1.893 53.902 52.037 -0.047 0.000 0.627 109 A CB -0.627 18.349 19.000 -0.040 0.000 0.818 109 A HN 0.491 nan 8.150 nan 0.000 0.445 110 R N -0.649 119.832 120.500 -0.032 0.000 2.075 110 R HA -0.082 4.261 4.340 0.004 0.000 0.232 110 R C 1.946 178.233 176.300 -0.021 0.000 1.126 110 R CA 1.571 57.658 56.100 -0.022 0.000 0.963 110 R CB -0.683 29.605 30.300 -0.020 0.000 0.858 110 R HN 0.444 nan 8.270 nan 0.000 0.435 111 L N -0.094 121.112 121.223 -0.029 0.000 2.046 111 L HA -0.105 4.238 4.340 0.004 0.000 0.208 111 L C 1.910 178.764 176.870 -0.028 0.000 1.077 111 L CA 1.653 56.476 54.840 -0.028 0.000 0.747 111 L CB -0.520 41.518 42.059 -0.035 0.000 0.896 111 L HN 0.076 nan 8.230 nan 0.000 0.432 112 V N -1.007 118.885 119.914 -0.036 0.000 2.407 112 V HA -0.271 3.852 4.120 0.004 0.000 0.248 112 V C 2.767 178.844 176.094 -0.028 0.000 1.055 112 V CA 1.777 64.053 62.300 -0.039 0.000 1.049 112 V CB -0.863 30.926 31.823 -0.058 0.000 0.662 112 V HN 0.649 nan 8.190 nan 0.000 0.455 113 S N -0.223 115.463 115.700 -0.023 0.000 2.348 113 S HA -0.158 4.315 4.470 0.004 0.000 0.221 113 S C 1.946 176.545 174.600 -0.002 0.000 1.033 113 S CA 1.760 59.952 58.200 -0.013 0.000 1.010 113 S CB -0.356 62.839 63.200 -0.009 0.000 0.891 113 S HN 0.512 nan 8.310 nan 0.000 0.442 114 I N 1.806 122.376 120.570 0.001 0.000 2.208 114 I HA -0.194 3.979 4.170 0.004 0.000 0.245 114 I C 2.714 178.835 176.117 0.007 0.000 1.097 114 I CA 1.136 62.443 61.300 0.011 0.000 1.363 114 I CB -0.513 37.490 38.000 0.006 0.000 1.051 114 I HN 0.391 nan 8.210 nan 0.000 0.413 115 A N 0.045 122.863 122.820 -0.003 0.000 2.131 115 A HA -0.214 4.109 4.320 0.004 0.000 0.220 115 A C 2.112 179.698 177.584 0.002 0.000 1.158 115 A CA 1.244 53.279 52.037 -0.004 0.000 0.665 115 A CB -0.350 18.643 19.000 -0.011 0.000 0.795 115 A HN 0.420 nan 8.150 nan 0.000 0.460 116 Q N -1.185 118.618 119.800 0.005 0.000 2.369 116 Q HA 0.069 4.411 4.340 0.004 0.000 0.206 116 Q C 1.236 177.246 176.000 0.017 0.000 0.963 116 Q CA 0.841 56.650 55.803 0.009 0.000 0.894 116 Q CB -0.598 28.143 28.738 0.006 0.000 0.965 116 Q HN 1.093 nan 8.270 nan 0.000 0.475 117 G N 0.353 109.166 108.800 0.023 0.000 2.248 117 G HA2 -0.158 3.805 3.960 0.004 0.000 0.263 117 G HA3 -0.158 3.805 3.960 0.004 0.000 0.263 117 G C 0.408 175.342 174.900 0.057 0.000 1.082 117 G CA 0.396 45.516 45.100 0.032 0.000 0.863 117 G HN 0.531 nan 8.290 nan 0.000 0.495 118 A N -1.086 121.780 122.820 0.076 0.000 2.671 118 A HA 0.715 5.038 4.320 0.004 0.000 0.265 118 A C 1.643 179.347 177.584 0.200 0.000 1.148 118 A CA 1.384 53.492 52.037 0.119 0.000 0.977 118 A CB 0.230 19.262 19.000 0.053 0.000 1.242 118 A HN 0.796 nan 8.150 nan 0.000 0.591 119 S N -1.030 114.780 115.700 0.183 0.000 2.502 119 S HA 0.359 4.831 4.470 0.004 0.000 0.215 119 S C 1.579 176.354 174.600 0.292 0.000 1.009 119 S CA 0.787 59.124 58.200 0.229 0.000 0.908 119 S CB 0.368 63.636 63.200 0.114 0.000 0.801 119 S HN 1.697 nan 8.310 nan 0.000 0.505 120 G N 1.833 110.727 108.800 0.156 0.000 2.162 120 G HA2 -0.238 3.724 3.960 0.004 0.000 0.260 120 G HA3 -0.238 3.724 3.960 0.004 0.000 0.260 120 G C 0.238 175.125 174.900 -0.022 0.000 0.976 120 G CA 0.045 45.132 45.100 -0.022 0.000 0.655 120 G HN 0.891 nan 8.290 nan 0.000 0.533 121 A N 0.403 123.231 122.820 0.014 0.000 2.540 121 A HA 0.596 4.919 4.320 0.004 0.000 0.239 121 A C 1.166 178.709 177.584 -0.067 0.000 1.061 121 A CA 1.069 53.097 52.037 -0.015 0.000 0.758 121 A CB 0.187 19.185 19.000 -0.003 0.000 0.991 121 A HN 2.038 nan 8.150 nan 0.000 0.502 122 S N 1.606 117.232 115.700 -0.123 0.000 2.614 122 S HA 0.200 4.672 4.470 0.004 0.000 0.265 122 S C 0.745 175.242 174.600 -0.172 0.000 1.303 122 S CA 0.083 58.142 58.200 -0.234 0.000 1.000 122 S CB 0.736 63.608 63.200 -0.547 0.000 0.935 122 S HN 0.718 nan 8.310 nan 0.000 0.551 123 E N 1.398 121.496 120.200 -0.171 0.000 2.085 123 E HA -0.116 4.236 4.350 0.004 0.000 0.194 123 E C 2.148 178.693 176.600 -0.092 0.000 0.994 123 E CA 1.219 57.556 56.400 -0.104 0.000 0.801 123 E CB -0.781 28.869 29.700 -0.083 0.000 0.743 123 E HN 0.899 nan 8.360 nan 0.000 0.453 124 G N 0.614 109.341 108.800 -0.121 0.000 2.421 124 G HA2 -0.275 3.687 3.960 0.004 0.000 0.216 124 G HA3 -0.275 3.687 3.960 0.004 0.000 0.216 124 G C 1.639 176.508 174.900 -0.053 0.000 1.171 124 G CA 1.339 46.396 45.100 -0.072 0.000 0.775 124 G HN 0.190 nan 8.290 nan 0.000 0.543 125 T N 1.387 115.899 114.554 -0.070 0.000 2.684 125 T HA -0.081 4.272 4.350 0.004 0.000 0.267 125 T C 2.385 177.066 174.700 -0.031 0.000 1.036 125 T CA 1.117 63.194 62.100 -0.039 0.000 1.148 125 T CB -0.182 68.662 68.868 -0.041 0.000 0.863 125 T HN 0.252 nan 8.240 nan 0.000 0.436 126 I N 1.259 121.805 120.570 -0.040 0.000 2.226 126 I HA -0.177 3.996 4.170 0.004 0.000 0.245 126 I C 2.898 178.999 176.117 -0.026 0.000 1.100 126 I CA 1.074 62.356 61.300 -0.031 0.000 1.374 126 I CB -0.468 37.512 38.000 -0.033 0.000 1.057 126 I HN 0.194 nan 8.210 nan 0.000 0.413 127 A N 0.714 123.518 122.820 -0.028 0.000 1.972 127 A HA -0.172 4.151 4.320 0.004 0.000 0.219 127 A C 2.321 179.897 177.584 -0.013 0.000 1.169 127 A CA 1.252 53.276 52.037 -0.021 0.000 0.635 127 A CB -0.377 18.610 19.000 -0.022 0.000 0.810 127 A HN 0.247 nan 8.150 nan 0.000 0.446 128 R N -0.209 120.285 120.500 -0.009 0.000 2.092 128 R HA -0.006 4.337 4.340 0.004 0.000 0.231 128 R C 1.997 178.300 176.300 0.005 0.000 1.119 128 R CA 1.110 57.213 56.100 0.004 0.000 0.970 128 R CB -0.963 29.345 30.300 0.013 0.000 0.864 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N 0.063 121.282 121.223 -0.005 0.000 2.072 129 L HA -0.067 4.276 4.340 0.004 0.000 0.205 129 L C 2.466 179.324 176.870 -0.021 0.000 1.079 129 L CA 1.034 55.866 54.840 -0.012 0.000 0.752 129 L CB -0.451 41.596 42.059 -0.020 0.000 0.906 129 L HN 0.049 nan 8.230 nan 0.000 0.436 130 I N 0.017 120.574 120.570 -0.021 0.000 2.179 130 I HA -0.295 3.878 4.170 0.004 0.000 0.242 130 I C 2.148 178.252 176.117 -0.022 0.000 1.088 130 I CA 1.221 62.507 61.300 -0.024 0.000 1.357 130 I CB -0.405 37.582 38.000 -0.022 0.000 1.051 130 I HN 0.265 nan 8.210 nan 0.000 0.409 131 D N 0.772 121.163 120.400 -0.015 0.000 2.104 131 D HA -0.187 4.456 4.640 0.004 0.000 0.194 131 D C 2.133 178.424 176.300 -0.015 0.000 0.994 131 D CA 1.005 54.996 54.000 -0.015 0.000 0.830 131 D CB -0.362 40.431 40.800 -0.012 0.000 0.959 131 D HN 0.157 nan 8.370 nan 0.000 0.452 132 L N 0.788 122.007 121.223 -0.007 0.000 2.012 132 L HA -0.147 4.196 4.340 0.004 0.000 0.210 132 L C 2.169 179.018 176.870 -0.034 0.000 1.073 132 L CA 1.410 56.251 54.840 0.001 0.000 0.748 132 L CB -0.893 41.186 42.059 0.034 0.000 0.891 132 L HN 0.104 nan 8.230 nan 0.000 0.431 133 L N 0.089 121.281 121.223 -0.053 0.000 2.191 133 L HA -0.209 4.134 4.340 0.004 0.000 0.212 133 L C 2.031 178.869 176.870 -0.053 0.000 1.103 133 L CA 0.926 55.716 54.840 -0.083 0.000 0.769 133 L CB -0.552 41.459 42.059 -0.080 0.000 0.908 133 L HN 0.380 nan 8.230 nan 0.000 0.438 134 N N -0.560 118.124 118.700 -0.027 0.000 2.422 134 N HA -0.019 4.724 4.740 0.004 0.000 0.181 134 N C 0.988 176.506 175.510 0.012 0.000 1.080 134 N CA 0.456 53.502 53.050 -0.007 0.000 0.893 134 N CB 0.139 38.621 38.487 -0.008 0.000 0.973 134 N HN 0.332 nan 8.380 nan 0.000 0.456 135 S N 0.201 115.908 115.700 0.012 0.000 2.661 135 S HA 0.239 4.712 4.470 0.004 0.000 0.265 135 S C 0.784 175.449 174.600 0.108 0.000 1.225 135 S CA -0.400 57.819 58.200 0.032 0.000 0.986 135 S CB 1.320 64.519 63.200 -0.002 0.000 1.008 135 S HN -0.049 nan 8.310 nan 0.000 0.565 136 E N 0.047 120.338 120.200 0.151 0.000 2.444 136 E HA 0.333 4.686 4.350 0.004 0.000 0.191 136 E C -0.148 176.746 176.600 0.490 0.000 1.041 136 E CA -0.001 56.583 56.400 0.308 0.000 0.883 136 E CB -0.183 29.607 29.700 0.150 0.000 1.024 136 E HN 0.506 nan 8.360 nan 0.000 0.470 137 L N -0.198 121.219 121.223 0.323 0.000 2.304 137 L HA 0.755 5.098 4.340 0.004 0.000 0.268 137 L C -0.038 176.947 176.870 0.193 0.000 1.010 137 L CA -1.073 53.986 54.840 0.365 0.000 0.813 137 L CB 1.561 43.700 42.059 0.133 0.000 1.315 137 L HN -0.175 nan 8.230 nan 0.000 0.445 138 A N 0.817 123.784 122.820 0.245 0.000 2.549 138 A HA 0.805 5.127 4.320 0.004 0.000 0.297 138 A C -2.832 174.854 177.584 0.171 0.000 1.061 138 A CA -1.365 50.678 52.037 0.009 0.000 0.690 138 A CB 1.882 20.690 19.000 -0.320 0.000 1.287 138 A HN 0.363 nan 8.150 nan 0.000 0.402 139 P HA 0.383 nan 4.420 nan 0.000 0.275 139 P C -0.335 176.882 177.300 -0.137 0.000 1.228 139 P CA 0.087 63.055 63.100 -0.220 0.000 0.786 139 P CB 1.323 32.898 31.700 -0.210 0.000 0.927 140 A N 3.631 126.342 122.820 -0.181 0.000 2.391 140 A HA 0.462 4.784 4.320 0.004 0.000 0.316 140 A C -0.160 177.357 177.584 -0.112 0.000 1.381 140 A CA -0.399 51.584 52.037 -0.090 0.000 0.998 140 A CB -0.368 18.595 19.000 -0.063 0.000 1.147 140 A HN 0.357 nan 8.150 nan 0.000 0.545 141 V N 5.524 125.379 119.914 -0.099 0.000 2.540 141 V HA 0.427 4.550 4.120 0.004 0.000 0.302 141 V C -2.196 173.799 176.094 -0.164 0.000 1.035 141 V CA -1.827 60.394 62.300 -0.133 0.000 0.873 141 V CB 2.051 33.829 31.823 -0.074 0.000 0.992 141 V HN 0.798 nan 8.190 nan 0.000 0.428 142 P HA 0.072 nan 4.420 nan 0.000 0.268 142 P C 0.690 177.909 177.300 -0.136 0.000 1.205 142 P CA 0.098 63.062 63.100 -0.227 0.000 0.771 142 P CB 1.013 32.505 31.700 -0.347 0.000 0.858 143 S N 2.764 118.417 115.700 -0.078 0.000 2.461 143 S HA 0.015 4.488 4.470 0.004 0.000 0.228 143 S C 0.844 175.428 174.600 -0.027 0.000 1.005 143 S CA 0.123 58.300 58.200 -0.040 0.000 0.942 143 S CB -0.110 63.079 63.200 -0.018 0.000 0.776 143 S HN 0.416 nan 8.310 nan 0.000 0.514 144 R N -0.180 120.300 120.500 -0.033 0.000 2.668 144 R HA 0.630 4.973 4.340 0.004 0.000 0.279 144 R C 0.794 177.090 176.300 -0.007 0.000 0.976 144 R CA -0.016 56.075 56.100 -0.014 0.000 0.978 144 R CB 1.538 31.832 30.300 -0.011 0.000 1.133 144 R HN 0.322 nan 8.270 nan 0.000 0.484 145 G N 0.252 109.058 108.800 0.009 0.000 3.006 145 G HA2 -0.214 3.749 3.960 0.004 0.000 0.195 145 G HA3 -0.214 3.749 3.960 0.004 0.000 0.195 145 G C 0.112 175.027 174.900 0.025 0.000 1.034 145 G CA -0.109 45.005 45.100 0.022 0.000 0.807 145 G HN 0.597 nan 8.290 nan 0.000 0.469 146 T N 0.891 115.458 114.554 0.022 0.000 2.909 146 T HA 0.516 4.869 4.350 0.004 0.000 0.286 146 T C 1.481 176.197 174.700 0.026 0.000 1.002 146 T CA 0.514 62.627 62.100 0.021 0.000 1.074 146 T CB 1.596 70.474 68.868 0.017 0.000 0.984 146 T HN 1.160 nan 8.240 nan 0.000 0.495 147 V N 1.320 121.251 119.914 0.029 0.000 3.444 147 V HA 0.595 4.718 4.120 0.004 0.000 0.308 147 V C 1.140 177.263 176.094 0.048 0.000 1.371 147 V CA 0.202 62.526 62.300 0.040 0.000 1.141 147 V CB -1.308 30.540 31.823 0.041 0.000 1.037 147 V HN 1.350 nan 8.190 nan 0.000 0.433 153 L N -0.320 120.876 121.223 -0.046 0.000 2.017 153 L HA -0.133 4.210 4.340 0.004 0.000 0.208 153 L C 2.371 179.195 176.870 -0.077 0.000 1.073 153 L CA 1.418 56.209 54.840 -0.081 0.000 0.745 153 L CB -0.611 41.378 42.059 -0.117 0.000 0.894 153 L HN 0.098 nan 8.230 nan 0.000 0.432 154 T N 0.507 115.038 114.554 -0.038 0.000 2.652 154 T HA -0.095 4.258 4.350 0.004 0.000 0.267 154 T C -0.445 174.316 174.700 0.102 0.000 1.039 154 T CA 1.782 63.889 62.100 0.012 0.000 1.153 154 T CB -1.159 67.742 68.868 0.054 0.000 0.863 154 T HN 0.313 nan 8.240 nan 0.000 0.428 155 P HA 0.020 nan 4.420 nan 0.000 0.218 155 P C 1.551 178.878 177.300 0.045 0.000 1.149 155 P CA 0.967 64.111 63.100 0.073 0.000 0.817 155 P CB -0.210 31.500 31.700 0.017 0.000 0.785 156 L N -0.735 120.486 121.223 -0.002 0.000 2.156 156 L HA -0.045 4.298 4.340 0.004 0.000 0.208 156 L C 2.769 179.604 176.870 -0.059 0.000 1.095 156 L CA 1.196 56.018 54.840 -0.030 0.000 0.770 156 L CB -0.981 41.054 42.059 -0.040 0.000 0.914 156 L HN -0.062 nan 8.230 nan 0.000 0.439 157 A N -0.884 121.878 122.820 -0.098 0.000 1.898 157 A HA -0.215 4.108 4.320 0.004 0.000 0.216 157 A C 2.121 179.595 177.584 -0.184 0.000 1.181 157 A CA 1.232 53.160 52.037 -0.182 0.000 0.620 157 A CB -0.697 18.136 19.000 -0.279 0.000 0.819 157 A HN 0.391 nan 8.150 nan 0.000 0.442 158 H N -1.131 117.887 119.070 -0.088 0.000 2.421 158 H HA -0.096 4.462 4.556 0.004 0.000 0.298 158 H C 2.079 177.343 175.328 -0.107 0.000 1.087 158 H CA 1.746 57.742 56.048 -0.086 0.000 1.330 158 H CB -0.249 29.466 29.762 -0.079 0.000 1.388 158 H HN 0.605 nan 8.280 nan 0.000 0.526 159 M N 0.524 120.128 119.600 0.007 0.000 2.086 159 M HA -0.148 4.335 4.480 0.004 0.000 0.261 159 M C 2.101 178.362 176.300 -0.066 0.000 1.067 159 M CA 1.293 56.562 55.300 -0.052 0.000 1.116 159 M CB -0.132 32.442 32.600 -0.043 0.000 1.348 159 M HN -0.010 nan 8.290 nan 0.000 0.407 160 V N 1.391 121.268 119.914 -0.061 0.000 2.287 160 V HA -0.313 3.810 4.120 0.004 0.000 0.248 160 V C 2.465 178.527 176.094 -0.053 0.000 1.053 160 V CA 1.904 64.170 62.300 -0.056 0.000 1.027 160 V CB -0.785 30.993 31.823 -0.076 0.000 0.646 160 V HN 0.550 nan 8.190 nan 0.000 0.447 161 L N -0.912 120.271 121.223 -0.067 0.000 2.042 161 L HA -0.242 4.101 4.340 0.004 0.000 0.210 161 L C 2.650 179.485 176.870 -0.059 0.000 1.076 161 L CA 1.701 56.513 54.840 -0.047 0.000 0.749 161 L CB -0.752 41.279 42.059 -0.048 0.000 0.893 161 L HN 0.411 nan 8.230 nan 0.000 0.432 162 C N -0.165 119.056 119.300 -0.131 0.000 2.432 162 C HA -0.153 4.310 4.460 0.004 0.000 0.277 162 C C 2.658 177.558 174.990 -0.150 0.000 1.249 162 C CA 0.443 59.274 59.018 -0.312 0.000 1.725 162 C CB -0.835 26.567 27.740 -0.563 0.000 2.028 162 C HN 0.440 nan 8.230 nan 0.000 0.477 163 L N 0.315 121.524 121.223 -0.023 0.000 2.353 163 L HA -0.160 4.183 4.340 0.004 0.000 0.220 163 L C 2.322 179.269 176.870 0.128 0.000 1.133 163 L CA 1.240 56.163 54.840 0.139 0.000 0.798 163 L CB -0.631 41.474 42.059 0.076 0.000 0.922 163 L HN 0.541 nan 8.230 nan 0.000 0.445 164 Q N -0.485 119.360 119.800 0.074 0.000 2.319 164 Q HA 0.144 4.487 4.340 0.004 0.000 0.202 164 Q C 1.337 177.390 176.000 0.089 0.000 0.896 164 Q CA 0.479 56.322 55.803 0.066 0.000 0.942 164 Q CB 0.775 29.533 28.738 0.033 0.000 1.083 164 Q HN 0.531 nan 8.270 nan 0.000 0.510 165 G N 1.818 110.700 108.800 0.137 0.000 2.143 165 G HA2 -0.315 3.647 3.960 0.004 0.000 0.249 165 G HA3 -0.315 3.647 3.960 0.004 0.000 0.249 165 G C 0.606 175.563 174.900 0.096 0.000 0.981 165 G CA 0.130 45.327 45.100 0.162 0.000 0.665 165 G HN 0.320 nan 8.290 nan 0.000 0.528 166 R N 0.120 120.651 120.500 0.052 0.000 2.466 166 R HA 0.458 4.800 4.340 0.004 0.000 0.279 166 R C 1.045 177.348 176.300 0.005 0.000 0.976 166 R CA 0.529 56.648 56.100 0.031 0.000 1.081 166 R CB 0.753 31.072 30.300 0.032 0.000 1.215 166 R HN 0.511 nan 8.270 nan 0.000 0.546 167 G N -0.334 108.449 108.800 -0.028 0.000 2.704 167 G HA2 0.233 4.196 3.960 0.004 0.000 0.293 167 G HA3 0.233 4.196 3.960 0.004 0.000 0.293 167 G C -1.463 173.352 174.900 -0.141 0.000 1.421 167 G CA -0.669 44.384 45.100 -0.079 0.000 0.870 167 G HN -0.129 nan 8.290 nan 0.000 0.492 168 D N -0.499 119.833 120.400 -0.112 0.000 2.360 168 D HA 0.556 5.198 4.640 0.004 0.000 0.242 168 D C -0.466 175.693 176.300 -0.235 0.000 1.184 168 D CA 0.550 54.513 54.000 -0.062 0.000 0.930 168 D CB 0.845 41.643 40.800 -0.003 0.000 1.161 168 D HN 0.093 nan 8.370 nan 0.000 0.447 169 F N -0.609 119.367 119.950 0.043 0.000 2.618 169 F HA 0.531 5.061 4.527 0.005 0.000 0.332 169 F C -0.152 175.696 175.800 0.080 0.000 1.061 169 F CA -0.875 57.160 58.000 0.058 0.000 0.974 169 F CB 1.193 40.228 39.000 0.058 0.000 1.310 169 F HN -0.062 nan 8.300 nan 0.000 0.491 170 L N 1.508 122.940 121.223 0.347 0.000 2.381 170 L HA 0.429 4.772 4.340 0.004 0.000 0.268 170 L C -1.033 176.062 176.870 0.374 0.000 0.997 170 L CA -1.035 53.983 54.840 0.296 0.000 0.818 170 L CB 1.951 44.185 42.059 0.292 0.000 1.310 170 L HN 0.601 nan 8.230 nan 0.000 0.416 171 D N 1.150 121.663 120.400 0.188 0.000 2.478 171 D HA 0.225 4.868 4.640 0.004 0.000 0.263 171 D C 0.788 176.900 176.300 -0.313 0.000 1.153 171 D CA -0.634 53.392 54.000 0.044 0.000 1.038 171 D CB 0.841 41.628 40.800 -0.022 0.000 1.120 171 D HN 0.328 nan 8.370 nan 0.000 0.564 172 R N -0.597 119.453 120.500 -0.751 0.000 2.170 172 R HA -0.110 4.233 4.340 0.004 0.000 0.242 172 R C 0.709 176.673 176.300 -0.561 0.000 1.145 172 R CA 1.487 56.839 56.100 -1.246 0.000 0.984 172 R CB -0.159 29.525 30.300 -1.026 0.000 0.869 172 R HN 0.527 nan 8.270 nan 0.000 0.455 173 D N -1.356 118.866 120.400 -0.297 0.000 2.348 173 D HA 0.039 4.682 4.640 0.004 0.000 0.211 173 D C 1.238 177.497 176.300 -0.067 0.000 0.998 173 D CA 1.080 54.991 54.000 -0.149 0.000 0.873 173 D CB 0.700 41.437 40.800 -0.105 0.000 0.925 173 D HN 0.458 nan 8.370 nan 0.000 0.524 174 G N 1.372 110.151 108.800 -0.036 0.000 2.176 174 G HA2 -0.256 3.707 3.960 0.004 0.000 0.232 174 G HA3 -0.256 3.707 3.960 0.004 0.000 0.232 174 G C 0.630 175.554 174.900 0.040 0.000 0.986 174 G CA 0.389 45.511 45.100 0.037 0.000 0.643 174 G HN 0.428 nan 8.290 nan 0.000 0.522 175 T N -0.335 114.231 114.554 0.020 0.000 2.901 175 T HA 0.610 4.962 4.350 0.004 0.000 0.301 175 T C 0.519 175.254 174.700 0.058 0.000 1.012 175 T CA -0.240 61.877 62.100 0.027 0.000 1.135 175 T CB 1.256 70.130 68.868 0.010 0.000 0.936 175 T HN 0.521 nan 8.240 nan 0.000 0.539 176 R N 2.260 122.795 120.500 0.058 0.000 2.410 176 R HA 0.608 4.951 4.340 0.004 0.000 0.288 176 R C -0.377 175.974 176.300 0.086 0.000 1.051 176 R CA -0.709 55.438 56.100 0.079 0.000 1.021 176 R CB 0.825 31.159 30.300 0.057 0.000 1.032 176 R HN 0.596 nan 8.270 nan 0.000 0.481 177 L N 2.040 123.341 121.223 0.131 0.000 2.362 177 L HA 0.311 4.654 4.340 0.004 0.000 0.271 177 L C -0.260 176.710 176.870 0.167 0.000 1.002 177 L CA -1.308 53.612 54.840 0.134 0.000 0.818 177 L CB 1.881 44.027 42.059 0.145 0.000 1.298 177 L HN 0.678 nan 8.230 nan 0.000 0.420 178 D N 1.336 121.811 120.400 0.125 0.000 2.361 178 D HA 0.079 4.721 4.640 0.004 0.000 0.239 178 D C 1.269 177.693 176.300 0.206 0.000 1.200 178 D CA 0.013 54.088 54.000 0.125 0.000 0.915 178 D CB 0.954 41.802 40.800 0.080 0.000 1.170 178 D HN 0.584 nan 8.370 nan 0.000 0.444 179 G N 0.289 109.206 108.800 0.195 0.000 2.529 179 G HA2 -0.297 3.666 3.960 0.004 0.000 0.219 179 G HA3 -0.297 3.666 3.960 0.004 0.000 0.219 179 G C 1.508 176.551 174.900 0.238 0.000 1.177 179 G CA 1.966 47.238 45.100 0.286 0.000 0.773 179 G HN 0.732 nan 8.290 nan 0.000 0.573 180 A N 0.569 123.466 122.820 0.129 0.000 1.908 180 A HA -0.074 4.249 4.320 0.004 0.000 0.218 180 A C 2.228 179.837 177.584 0.042 0.000 1.181 180 A CA 2.369 54.451 52.037 0.074 0.000 0.627 180 A CB -0.485 18.546 19.000 0.052 0.000 0.818 180 A HN 0.423 nan 8.150 nan 0.000 0.445 181 E N 0.105 120.335 120.200 0.050 0.000 2.110 181 E HA -0.045 4.307 4.350 0.004 0.000 0.193 181 E C 1.965 178.539 176.600 -0.043 0.000 0.988 181 E CA 1.551 57.961 56.400 0.016 0.000 0.804 181 E CB -0.831 28.892 29.700 0.037 0.000 0.745 181 E HN 0.408 nan 8.360 nan 0.000 0.458 182 G N 0.674 109.441 108.800 -0.056 0.000 2.404 182 G HA2 -0.210 3.752 3.960 0.004 0.000 0.215 182 G HA3 -0.210 3.752 3.960 0.004 0.000 0.215 182 G C 1.610 176.191 174.900 -0.532 0.000 1.174 182 G CA 0.891 45.740 45.100 -0.417 0.000 0.780 182 G HN 0.314 nan 8.290 nan 0.000 0.537 183 L N -0.084 120.941 121.223 -0.330 0.000 2.083 183 L HA -0.050 4.293 4.340 0.004 0.000 0.209 183 L C 2.901 179.689 176.870 -0.138 0.000 1.083 183 L CA 1.308 56.024 54.840 -0.207 0.000 0.752 183 L CB -0.407 41.625 42.059 -0.045 0.000 0.899 183 L HN 0.216 nan 8.230 nan 0.000 0.433 184 R N 0.580 121.021 120.500 -0.099 0.000 2.064 184 R HA -0.180 4.163 4.340 0.004 0.000 0.228 184 R C 2.547 178.803 176.300 -0.074 0.000 1.144 184 R CA 1.554 57.616 56.100 -0.063 0.000 0.932 184 R CB -0.213 30.065 30.300 -0.037 0.000 0.833 184 R HN 0.148 nan 8.270 nan 0.000 0.429 185 R N -0.471 119.977 120.500 -0.087 0.000 2.083 185 R HA -0.107 4.236 4.340 0.004 0.000 0.237 185 R C 1.898 178.147 176.300 -0.084 0.000 1.137 185 R CA 1.957 58.012 56.100 -0.074 0.000 0.951 185 R CB -0.618 29.640 30.300 -0.069 0.000 0.851 185 R HN 0.443 nan 8.270 nan 0.000 0.434 186 G N -0.341 108.377 108.800 -0.137 0.000 3.088 186 G HA2 -0.045 3.918 3.960 0.004 0.000 0.212 186 G HA3 -0.045 3.918 3.960 0.004 0.000 0.212 186 G C -0.240 174.604 174.900 -0.094 0.000 1.173 186 G CA -0.226 44.803 45.100 -0.119 0.000 0.779 186 G HN 0.373 nan 8.290 nan 0.000 0.540 187 R N -1.072 119.378 120.500 -0.084 0.000 3.264 187 R HA -0.142 4.201 4.340 0.004 0.000 0.251 187 R C -0.676 175.589 176.300 -0.057 0.000 0.971 187 R CA 0.328 56.393 56.100 -0.058 0.000 0.658 187 R CB -2.139 28.139 30.300 -0.038 0.000 1.095 187 R HN 0.345 nan 8.270 nan 0.000 0.443 188 L N 0.729 121.905 121.223 -0.078 0.000 2.325 188 L HA 0.364 4.706 4.340 0.004 0.000 0.278 188 L C 0.695 177.549 176.870 -0.027 0.000 1.023 188 L CA -0.814 53.992 54.840 -0.057 0.000 0.811 188 L CB 1.803 43.807 42.059 -0.091 0.000 1.249 188 L HN 0.116 nan 8.230 nan 0.000 0.431 189 Q N 3.455 123.252 119.800 -0.005 0.000 2.235 189 Q HA 0.329 4.672 4.340 0.004 0.000 0.250 189 Q C -2.243 173.774 176.000 0.028 0.000 0.909 189 Q CA -1.910 53.898 55.803 0.008 0.000 0.910 189 Q CB 1.302 30.045 28.738 0.008 0.000 1.223 189 Q HN 0.331 nan 8.270 nan 0.000 0.432 190 P HA -0.082 nan 4.420 nan 0.000 0.265 190 P C -0.601 176.726 177.300 0.044 0.000 1.193 190 P CA -0.259 62.872 63.100 0.051 0.000 0.765 190 P CB 0.509 32.236 31.700 0.045 0.000 0.823 191 L N 3.329 124.582 121.223 0.050 0.000 2.499 191 L HA 0.128 4.471 4.340 0.004 0.000 0.273 191 L C -0.016 176.874 176.870 0.033 0.000 1.195 191 L CA 0.685 55.547 54.840 0.037 0.000 0.882 191 L CB -0.570 41.508 42.059 0.032 0.000 1.133 191 L HN 0.316 nan 8.230 nan 0.000 0.483 192 D N 4.371 124.793 120.400 0.037 0.000 2.440 192 D HA 0.264 4.907 4.640 0.004 0.000 0.239 192 D C -0.099 176.242 176.300 0.068 0.000 1.084 192 D CA -0.202 53.828 54.000 0.049 0.000 0.843 192 D CB 0.729 41.566 40.800 0.061 0.000 1.097 192 D HN 0.600 nan 8.370 nan 0.000 0.531 193 L N 3.175 124.429 121.223 0.052 0.000 2.783 193 L HA 0.125 4.467 4.340 0.004 0.000 0.236 193 L C 1.864 178.777 176.870 0.072 0.000 1.225 193 L CA -0.144 54.732 54.840 0.061 0.000 1.026 193 L CB -0.221 41.851 42.059 0.022 0.000 1.314 193 L HN 0.410 nan 8.230 nan 0.000 0.489 194 S N -1.964 113.783 115.700 0.078 0.000 2.440 194 S HA -0.220 4.253 4.470 0.004 0.000 0.238 194 S C 1.445 176.006 174.600 -0.065 0.000 1.010 194 S CA 1.007 59.203 58.200 -0.007 0.000 0.972 194 S CB -0.457 62.708 63.200 -0.059 0.000 0.774 194 S HN 0.535 nan 8.310 nan 0.000 0.501 195 H N 1.525 120.589 119.070 -0.010 0.000 2.547 195 H HA 0.363 4.922 4.556 0.004 0.000 0.266 195 H C 0.577 175.897 175.328 -0.014 0.000 0.988 195 H CA 0.385 56.424 56.048 -0.016 0.000 1.147 195 H CB -0.153 29.596 29.762 -0.020 0.000 1.365 195 H HN 0.386 nan 8.280 nan 0.000 0.589 196 R N 0.793 121.342 120.500 0.083 0.000 3.651 196 R HA -0.132 4.211 4.340 0.004 0.000 0.292 196 R C -0.800 175.546 176.300 0.076 0.000 1.161 196 R CA 0.854 56.990 56.100 0.060 0.000 0.787 196 R CB -1.862 28.461 30.300 0.038 0.000 1.249 196 R HN 0.516 nan 8.270 nan 0.000 0.476 197 D N -1.026 119.423 120.400 0.081 0.000 2.615 197 D HA 0.256 4.898 4.640 0.004 0.000 0.236 197 D C 1.182 177.521 176.300 0.065 0.000 1.233 197 D CA 0.274 54.318 54.000 0.073 0.000 0.829 197 D CB 0.393 41.221 40.800 0.047 0.000 1.024 197 D HN 0.287 nan 8.370 nan 0.000 0.490 198 A N 0.486 123.342 122.820 0.060 0.000 1.972 198 A HA -0.063 4.260 4.320 0.004 0.000 0.219 198 A C 2.122 179.727 177.584 0.036 0.000 1.169 198 A CA 0.628 52.682 52.037 0.029 0.000 0.635 198 A CB -0.569 18.434 19.000 0.007 0.000 0.810 198 A HN 0.382 nan 8.150 nan 0.000 0.446 199 L N -0.919 120.357 121.223 0.089 0.000 2.551 199 L HA -0.101 4.242 4.340 0.004 0.000 0.228 199 L C 2.707 179.634 176.870 0.096 0.000 1.153 199 L CA 0.578 55.483 54.840 0.109 0.000 0.851 199 L CB -0.385 41.790 42.059 0.193 0.000 0.959 199 L HN 0.473 nan 8.230 nan 0.000 0.451 200 A N -0.306 122.566 122.820 0.087 0.000 2.067 200 A HA 0.021 4.343 4.320 0.004 0.000 0.217 200 A C 2.103 179.708 177.584 0.035 0.000 1.156 200 A CA 0.774 52.855 52.037 0.073 0.000 0.683 200 A CB -0.048 18.994 19.000 0.068 0.000 0.808 200 A HN 0.389 nan 8.150 nan 0.000 0.455 201 L N -1.024 120.209 121.223 0.018 0.000 2.316 201 L HA 0.120 4.463 4.340 0.004 0.000 0.207 201 L C 0.042 176.900 176.870 -0.020 0.000 1.070 201 L CA 0.255 55.092 54.840 -0.005 0.000 0.820 201 L CB 0.286 42.335 42.059 -0.016 0.000 0.992 201 L HN 0.048 nan 8.230 nan 0.000 0.466 202 V N 1.925 121.822 119.914 -0.028 0.000 2.218 202 V HA 0.381 4.504 4.120 0.004 0.000 0.261 202 V C -0.445 175.634 176.094 -0.025 0.000 1.142 202 V CA -0.231 62.035 62.300 -0.056 0.000 0.965 202 V CB -0.160 31.592 31.823 -0.118 0.000 1.190 202 V HN 0.330 nan 8.190 nan 0.000 0.478 203 N N 1.885 120.581 118.700 -0.006 0.000 3.348 203 N HA 0.496 5.238 4.740 0.004 0.000 0.233 203 N C -0.024 175.511 175.510 0.041 0.000 1.440 203 N CA 0.567 53.632 53.050 0.026 0.000 0.887 203 N CB 2.217 40.737 38.487 0.056 0.000 1.410 203 N HN 0.759 nan 8.380 nan 0.000 0.502 204 G N -0.019 108.836 108.800 0.091 0.000 2.645 204 G HA2 -0.246 3.717 3.960 0.004 0.000 0.246 204 G HA3 -0.246 3.717 3.960 0.004 0.000 0.246 204 G C 0.207 175.154 174.900 0.078 0.000 1.322 204 G CA 0.526 45.683 45.100 0.095 0.000 0.898 204 G HN 1.195 nan 8.290 nan 0.000 0.573 205 T N -3.108 111.477 114.554 0.052 0.000 3.269 205 T HA 0.569 4.922 4.350 0.004 0.000 0.269 205 T C 1.801 176.509 174.700 0.012 0.000 0.993 205 T CA 0.934 63.057 62.100 0.038 0.000 0.909 205 T CB 0.421 69.309 68.868 0.033 0.000 1.115 205 T HN 0.843 nan 8.240 nan 0.000 0.543 206 S N 1.734 117.437 115.700 0.005 0.000 2.374 206 S HA -0.090 4.383 4.470 0.004 0.000 0.227 206 S C 2.465 177.058 174.600 -0.011 0.000 1.037 206 S CA 1.319 59.514 58.200 -0.009 0.000 1.024 206 S CB -0.592 62.600 63.200 -0.014 0.000 0.861 206 S HN 0.836 nan 8.310 nan 0.000 0.456 207 A N 2.593 125.411 122.820 -0.004 0.000 1.855 207 A HA -0.066 4.257 4.320 0.004 0.000 0.215 207 A C 2.281 179.868 177.584 0.006 0.000 1.191 207 A CA 1.708 53.743 52.037 -0.003 0.000 0.613 207 A CB -0.776 18.225 19.000 0.001 0.000 0.829 207 A HN 0.662 nan 8.150 nan 0.000 0.442 208 M N -1.565 118.042 119.600 0.013 0.000 2.213 208 M HA -0.077 4.406 4.480 0.004 0.000 0.263 208 M C 1.784 178.091 176.300 0.012 0.000 1.062 208 M CA 2.276 57.588 55.300 0.019 0.000 1.105 208 M CB -1.263 31.351 32.600 0.024 0.000 1.385 208 M HN 0.148 nan 8.290 nan 0.000 0.417 209 T N 1.153 115.706 114.554 -0.003 0.000 2.777 209 T HA 0.013 4.365 4.350 0.004 0.000 0.266 209 T C 1.964 176.661 174.700 -0.005 0.000 1.040 209 T CA 1.614 63.704 62.100 -0.018 0.000 1.141 209 T CB -0.704 68.146 68.868 -0.031 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.310 110.106 108.800 -0.006 0.000 2.421 210 G HA2 -0.119 3.844 3.960 0.004 0.000 0.216 210 G HA3 -0.119 3.844 3.960 0.004 0.000 0.216 210 G C 1.521 176.435 174.900 0.023 0.000 1.171 210 G CA 0.464 45.560 45.100 -0.006 0.000 0.775 210 G HN 0.482 nan 8.290 nan 0.000 0.543 211 I N 1.461 122.049 120.570 0.031 0.000 2.226 211 I HA -0.173 3.999 4.170 0.004 0.000 0.245 211 I C 3.269 179.439 176.117 0.089 0.000 1.100 211 I CA 1.051 62.384 61.300 0.056 0.000 1.374 211 I CB -0.187 37.843 38.000 0.050 0.000 1.057 211 I HN 0.235 nan 8.210 nan 0.000 0.413 212 A N 1.231 124.105 122.820 0.090 0.000 1.933 212 A HA -0.167 4.155 4.320 0.004 0.000 0.218 212 A C 2.241 179.931 177.584 0.177 0.000 1.175 212 A CA 1.772 53.901 52.037 0.153 0.000 0.628 212 A CB -0.810 18.248 19.000 0.096 0.000 0.814 212 A HN 0.514 nan 8.150 nan 0.000 0.444 213 L N -2.009 119.281 121.223 0.111 0.000 2.141 213 L HA 0.013 4.355 4.340 0.004 0.000 0.209 213 L C 1.954 178.935 176.870 0.185 0.000 1.094 213 L CA 1.558 56.473 54.840 0.125 0.000 0.763 213 L CB -1.099 41.002 42.059 0.070 0.000 0.908 213 L HN 0.003 nan 8.230 nan 0.000 0.437 214 V N 0.789 120.812 119.914 0.182 0.000 2.453 214 V HA -0.152 3.971 4.120 0.004 0.000 0.247 214 V C 2.450 178.664 176.094 0.200 0.000 1.048 214 V CA 1.639 64.085 62.300 0.243 0.000 1.049 214 V CB -0.939 30.994 31.823 0.185 0.000 0.672 214 V HN 0.496 nan 8.190 nan 0.000 0.457 215 N N 0.929 119.723 118.700 0.158 0.000 2.120 215 N HA -0.124 4.619 4.740 0.004 0.000 0.188 215 N C 1.923 177.485 175.510 0.087 0.000 1.024 215 N CA 1.698 54.818 53.050 0.116 0.000 0.852 215 N CB -0.561 37.981 38.487 0.092 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.286 123.184 122.820 0.130 0.000 1.908 216 A HA -0.218 4.105 4.320 0.004 0.000 0.218 216 A C 2.120 179.723 177.584 0.032 0.000 1.181 216 A CA 1.910 54.004 52.037 0.096 0.000 0.627 216 A CB -0.949 18.166 19.000 0.192 0.000 0.818 216 A HN 0.466 nan 8.150 nan 0.000 0.445 217 H N -0.299 118.736 119.070 -0.059 0.000 2.326 217 H HA 0.081 4.639 4.556 0.004 0.000 0.301 217 H C 2.207 177.450 175.328 -0.142 0.000 1.081 217 H CA 1.870 57.795 56.048 -0.206 0.000 1.334 217 H CB -0.225 29.257 29.762 -0.467 0.000 1.385 217 H HN 0.395 nan 8.280 nan 0.000 0.504 218 A N -0.368 122.475 122.820 0.037 0.000 1.902 218 A HA -0.177 4.146 4.320 0.004 0.000 0.217 218 A C 2.677 180.253 177.584 -0.013 0.000 1.181 218 A CA 1.477 53.544 52.037 0.051 0.000 0.623 218 A CB -1.197 17.867 19.000 0.106 0.000 0.818 218 A HN 0.646 nan 8.150 nan 0.000 0.443 219 C N -1.321 117.986 119.300 0.012 0.000 2.435 219 C HA -0.019 4.444 4.460 0.004 0.000 0.279 219 C C 2.771 177.741 174.990 -0.033 0.000 1.321 219 C CA 1.078 60.146 59.018 0.083 0.000 1.752 219 C CB -1.327 26.492 27.740 0.131 0.000 1.959 219 C HN 0.730 nan 8.230 nan 0.000 0.500 220 R N -0.025 120.356 120.500 -0.199 0.000 2.073 220 R HA -0.136 4.207 4.340 0.004 0.000 0.234 220 R C 2.246 178.345 176.300 -0.336 0.000 1.134 220 R CA 1.587 57.487 56.100 -0.333 0.000 0.952 220 R CB -0.416 29.584 30.300 -0.501 0.000 0.850 220 R HN 0.599 nan 8.270 nan 0.000 0.433 221 H N 0.523 119.460 119.070 -0.220 0.000 2.357 221 H HA -0.084 4.474 4.556 0.004 0.000 0.301 221 H C 2.185 177.497 175.328 -0.027 0.000 1.082 221 H CA 1.604 57.570 56.048 -0.136 0.000 1.342 221 H CB -0.205 29.480 29.762 -0.129 0.000 1.389 221 H HN 0.248 nan 8.280 nan 0.000 0.511 222 L N -0.192 121.001 121.223 -0.050 0.000 2.131 222 L HA -0.076 4.266 4.340 0.004 0.000 0.210 222 L C 2.739 179.453 176.870 -0.260 0.000 1.092 222 L CA 1.013 55.640 54.840 -0.355 0.000 0.759 222 L CB -0.746 40.711 42.059 -1.004 0.000 0.903 222 L HN 0.295 nan 8.230 nan 0.000 0.435 223 G N -0.076 108.707 108.800 -0.030 0.000 2.422 223 G HA2 -0.248 3.714 3.960 0.004 0.000 0.218 223 G HA3 -0.248 3.714 3.960 0.004 0.000 0.218 223 G C 1.402 176.382 174.900 0.134 0.000 1.146 223 G CA 0.499 45.749 45.100 0.250 0.000 0.769 223 G HN 0.310 nan 8.290 nan 0.000 0.547 224 N N 0.109 118.786 118.700 -0.039 0.000 2.188 224 N HA -0.086 4.657 4.740 0.004 0.000 0.184 224 N C 1.846 177.271 175.510 -0.142 0.000 1.018 224 N CA 0.848 53.822 53.050 -0.128 0.000 0.858 224 N CB -0.340 38.011 38.487 -0.226 0.000 0.989 224 N HN 0.579 nan 8.380 nan 0.000 0.426 225 W N 1.625 122.880 121.300 -0.075 0.000 2.388 225 W HA 0.050 4.713 4.660 0.005 0.000 0.294 225 W C 2.499 178.995 176.519 -0.038 0.000 1.212 225 W CA 1.147 58.444 57.345 -0.079 0.000 1.271 225 W CB -0.404 28.964 29.460 -0.154 0.000 1.126 225 W HN 0.031 nan 8.180 nan 0.000 0.535 226 A N -0.168 122.777 122.820 0.209 0.000 1.908 226 A HA -0.181 4.142 4.320 0.004 0.000 0.218 226 A C 1.992 179.667 177.584 0.152 0.000 1.181 226 A CA 2.160 54.335 52.037 0.230 0.000 0.627 226 A CB -1.089 18.145 19.000 0.389 0.000 0.818 226 A HN 0.103 nan 8.150 nan 0.000 0.445 227 V N -0.370 119.618 119.914 0.123 0.000 2.307 227 V HA -0.190 3.932 4.120 0.004 0.000 0.245 227 V C 3.067 179.148 176.094 -0.022 0.000 1.045 227 V CA 1.856 64.171 62.300 0.025 0.000 1.024 227 V CB -1.180 30.663 31.823 0.034 0.000 0.651 227 V HN 0.609 nan 8.190 nan 0.000 0.449 228 A N -0.281 122.518 122.820 -0.035 0.000 1.933 228 A HA -0.151 4.172 4.320 0.004 0.000 0.218 228 A C 2.180 179.786 177.584 0.036 0.000 1.175 228 A CA 1.770 53.776 52.037 -0.053 0.000 0.628 228 A CB -0.512 18.373 19.000 -0.193 0.000 0.814 228 A HN 0.518 nan 8.150 nan 0.000 0.444 229 L N -1.166 120.118 121.223 0.101 0.000 2.179 229 L HA -0.089 4.253 4.340 0.004 0.000 0.208 229 L C 2.645 179.580 176.870 0.107 0.000 1.096 229 L CA 1.445 56.361 54.840 0.127 0.000 0.779 229 L CB -0.816 41.341 42.059 0.163 0.000 0.922 229 L HN 0.309 nan 8.230 nan 0.000 0.443 230 T N 0.166 114.775 114.554 0.091 0.000 2.777 230 T HA -0.123 4.230 4.350 0.004 0.000 0.266 230 T C 2.063 176.873 174.700 0.183 0.000 1.040 230 T CA 1.315 63.480 62.100 0.110 0.000 1.141 230 T CB -0.107 68.775 68.868 0.023 0.000 0.868 230 T HN 0.425 nan 8.240 nan 0.000 0.444 231 A N 1.287 124.178 122.820 0.119 0.000 1.877 231 A HA -0.010 4.312 4.320 0.004 0.000 0.216 231 A C 2.204 179.907 177.584 0.198 0.000 1.186 231 A CA 1.208 53.377 52.037 0.219 0.000 0.620 231 A CB -0.812 18.249 19.000 0.103 0.000 0.822 231 A HN 0.395 nan 8.150 nan 0.000 0.443 232 L N -0.793 120.505 121.223 0.125 0.000 2.141 232 L HA -0.074 4.269 4.340 0.004 0.000 0.209 232 L C 2.198 179.126 176.870 0.097 0.000 1.094 232 L CA 1.715 56.613 54.840 0.098 0.000 0.763 232 L CB -0.657 41.449 42.059 0.079 0.000 0.908 232 L HN 0.381 nan 8.230 nan 0.000 0.437 233 L N -0.251 121.040 121.223 0.114 0.000 2.046 233 L HA -0.105 4.237 4.340 0.004 0.000 0.208 233 L C 2.481 179.412 176.870 0.101 0.000 1.077 233 L CA 2.034 56.933 54.840 0.098 0.000 0.747 233 L CB -0.961 41.166 42.059 0.113 0.000 0.896 233 L HN 0.256 nan 8.230 nan 0.000 0.432 234 A N -0.851 122.063 122.820 0.157 0.000 1.933 234 A HA -0.203 4.119 4.320 0.004 0.000 0.218 234 A C 2.124 179.735 177.584 0.045 0.000 1.175 234 A CA 1.738 53.832 52.037 0.094 0.000 0.628 234 A CB -0.594 18.477 19.000 0.119 0.000 0.814 234 A HN 0.631 nan 8.150 nan 0.000 0.444 235 E N -1.097 119.145 120.200 0.069 0.000 2.274 235 E HA -0.118 4.235 4.350 0.004 0.000 0.194 235 E C 1.575 178.192 176.600 0.029 0.000 0.996 235 E CA 0.921 57.348 56.400 0.044 0.000 0.840 235 E CB -0.239 29.494 29.700 0.054 0.000 0.772 235 E HN 0.681 nan 8.360 nan 0.000 0.491 236 C N -0.025 119.293 119.300 0.031 0.000 2.634 236 C HA 0.175 4.638 4.460 0.004 0.000 0.268 236 C C 1.678 176.673 174.990 0.008 0.000 1.322 236 C CA -0.031 58.997 59.018 0.017 0.000 1.737 236 C CB -0.162 27.587 27.740 0.015 0.000 1.976 236 C HN 0.312 nan 8.230 nan 0.000 0.547 237 L N 0.009 121.237 121.223 0.009 0.000 3.168 237 L HA 0.289 4.632 4.340 0.004 0.000 0.277 237 L C 0.284 177.146 176.870 -0.013 0.000 1.245 237 L CA -0.087 54.753 54.840 -0.001 0.000 1.035 237 L CB -0.265 41.797 42.059 0.005 0.000 1.399 237 L HN 0.223 nan 8.230 nan 0.000 0.580 238 R N 0.629 121.120 120.500 -0.014 0.000 3.333 238 R HA -0.154 4.189 4.340 0.004 0.000 0.256 238 R C 0.677 176.945 176.300 -0.053 0.000 1.010 238 R CA 0.462 56.547 56.100 -0.026 0.000 0.680 238 R CB -1.904 28.382 30.300 -0.022 0.000 1.102 238 R HN 0.508 nan 8.270 nan 0.000 0.440 239 G N 0.689 109.445 108.800 -0.074 0.000 2.491 239 G HA2 0.175 4.137 3.960 0.004 0.000 0.238 239 G HA3 0.175 4.137 3.960 0.004 0.000 0.238 239 G C 0.067 174.829 174.900 -0.229 0.000 1.277 239 G CA -0.558 44.454 45.100 -0.147 0.000 0.851 239 G HN 0.252 nan 8.290 nan 0.000 0.573 240 R N 0.838 121.172 120.500 -0.276 0.000 2.196 240 R HA 0.212 4.555 4.340 0.004 0.000 0.340 240 R C 1.625 177.630 176.300 -0.492 0.000 1.043 240 R CA 0.222 56.156 56.100 -0.276 0.000 0.883 240 R CB 0.812 31.008 30.300 -0.175 0.000 1.078 240 R HN 0.720 nan 8.270 nan 0.000 0.462 241 T N -1.027 113.279 114.554 -0.413 0.000 3.035 241 T HA -0.153 4.200 4.350 0.004 0.000 0.268 241 T C 1.426 175.972 174.700 -0.258 0.000 1.109 241 T CA 1.038 62.869 62.100 -0.449 0.000 1.119 241 T CB -0.045 68.712 68.868 -0.185 0.000 0.900 241 T HN 0.735 nan 8.240 nan 0.000 0.503 242 E N 1.771 121.865 120.200 -0.176 0.000 2.265 242 E HA -0.016 4.336 4.350 0.004 0.000 0.196 242 E C 2.212 178.781 176.600 -0.052 0.000 0.996 242 E CA 0.891 57.244 56.400 -0.077 0.000 0.832 242 E CB -0.557 29.113 29.700 -0.050 0.000 0.756 242 E HN 0.623 nan 8.360 nan 0.000 0.491 243 A N 0.835 123.572 122.820 -0.137 0.000 2.121 243 A HA -0.082 4.241 4.320 0.004 0.000 0.218 243 A C 0.955 178.673 177.584 0.222 0.000 1.154 243 A CA 0.624 52.650 52.037 -0.019 0.000 0.679 243 A CB -0.582 18.369 19.000 -0.082 0.000 0.795 243 A HN 0.487 nan 8.150 nan 0.000 0.458 244 W N -0.232 121.071 121.300 0.005 0.000 3.223 244 W HA 0.609 5.272 4.660 0.004 0.000 0.389 244 W C 0.777 177.300 176.519 0.006 0.000 1.118 244 W CA -1.121 56.227 57.345 0.006 0.000 1.902 244 W CB -1.397 28.070 29.460 0.011 0.000 1.094 244 W HN 0.344 nan 8.180 nan 0.000 0.666 245 A N 0.846 123.778 122.820 0.185 0.000 2.498 245 A HA 0.437 4.759 4.320 0.004 0.000 0.239 245 A C 1.670 179.308 177.584 0.090 0.000 1.068 245 A CA 0.695 52.797 52.037 0.108 0.000 0.766 245 A CB 0.600 19.637 19.000 0.060 0.000 1.003 245 A HN 0.258 nan 8.150 nan 0.000 0.497 246 A N 2.363 125.224 122.820 0.067 0.000 1.972 246 A HA 0.138 4.460 4.320 0.004 0.000 0.219 246 A C 2.342 179.947 177.584 0.036 0.000 1.169 246 A CA 2.170 54.236 52.037 0.049 0.000 0.635 246 A CB -0.927 18.095 19.000 0.037 0.000 0.810 246 A HN 1.741 nan 8.150 nan 0.000 0.446 247 A N -0.203 122.636 122.820 0.032 0.000 1.940 247 A HA -0.090 4.233 4.320 0.004 0.000 0.219 247 A C 2.131 179.727 177.584 0.021 0.000 1.176 247 A CA 1.553 53.603 52.037 0.021 0.000 0.631 247 A CB -0.542 18.469 19.000 0.018 0.000 0.814 247 A HN 0.496 nan 8.150 nan 0.000 0.446 248 L N -0.696 120.546 121.223 0.032 0.000 2.109 248 L HA -0.127 4.215 4.340 0.004 0.000 0.207 248 L C 2.825 179.711 176.870 0.027 0.000 1.086 248 L CA 1.283 56.141 54.840 0.031 0.000 0.760 248 L CB -0.379 41.708 42.059 0.048 0.000 0.910 248 L HN 0.330 nan 8.230 nan 0.000 0.437 249 S N -0.253 115.467 115.700 0.033 0.000 2.368 249 S HA -0.185 4.288 4.470 0.004 0.000 0.225 249 S C 1.508 176.113 174.600 0.008 0.000 1.030 249 S CA 1.364 59.580 58.200 0.027 0.000 0.999 249 S CB -0.289 62.931 63.200 0.033 0.000 0.844 249 S HN 0.446 nan 8.310 nan 0.000 0.459 250 D N 1.469 121.873 120.400 0.006 0.000 2.178 250 D HA -0.040 4.602 4.640 0.004 0.000 0.201 250 D C 1.771 178.060 176.300 -0.019 0.000 0.980 250 D CA 0.730 54.726 54.000 -0.006 0.000 0.842 250 D CB -0.304 40.495 40.800 -0.001 0.000 0.948 250 D HN 0.329 nan 8.370 nan 0.000 0.472 251 L N -0.519 120.696 121.223 -0.013 0.000 2.217 251 L HA -0.013 4.330 4.340 0.004 0.000 0.211 251 L C 1.613 178.459 176.870 -0.040 0.000 1.107 251 L CA 0.610 55.438 54.840 -0.021 0.000 0.783 251 L CB 0.108 42.161 42.059 -0.010 0.000 0.919 251 L HN -0.163 nan 8.230 nan 0.000 0.442 252 R N 0.710 121.182 120.500 -0.045 0.000 2.644 252 R HA 0.189 4.532 4.340 0.004 0.000 0.271 252 R C -2.214 174.010 176.300 -0.126 0.000 1.687 252 R CA -1.386 54.660 56.100 -0.090 0.000 1.655 252 R CB 0.873 31.160 30.300 -0.020 0.000 1.285 252 R HN -0.143 nan 8.270 nan 0.000 0.643 253 P HA -0.081 nan 4.420 nan 0.000 0.297 253 P C -0.689 176.534 177.300 -0.129 0.000 1.544 253 P CA 0.255 63.285 63.100 -0.118 0.000 0.798 253 P CB -0.351 31.294 31.700 -0.091 0.000 1.757 254 H N 0.857 119.927 119.070 -0.000 0.000 2.767 254 H HA 0.099 4.658 4.556 0.005 0.000 0.316 254 H C -1.331 174.008 175.328 0.019 0.000 1.059 254 H CA -1.558 54.492 56.048 0.004 0.000 1.461 254 H CB 0.569 30.328 29.762 -0.005 0.000 1.475 254 H HN 0.091 nan 8.280 nan 0.000 0.531 255 P HA -0.151 nan 4.420 nan 0.000 0.216 255 P C 1.656 179.029 177.300 0.123 0.000 1.153 255 P CA 1.632 64.794 63.100 0.104 0.000 0.858 255 P CB 0.120 31.874 31.700 0.091 0.000 0.789 256 G N -0.398 108.492 108.800 0.149 0.000 2.422 256 G HA2 -0.304 3.659 3.960 0.004 0.000 0.218 256 G HA3 -0.304 3.659 3.960 0.004 0.000 0.218 256 G C 1.677 176.670 174.900 0.155 0.000 1.146 256 G CA 0.705 45.922 45.100 0.196 0.000 0.769 256 G HN 0.323 nan 8.290 nan 0.000 0.547 257 Q N 0.081 119.939 119.800 0.097 0.000 2.083 257 Q HA -0.058 4.285 4.340 0.004 0.000 0.198 257 Q C 2.469 178.501 176.000 0.053 0.000 0.969 257 Q CA 1.503 57.334 55.803 0.047 0.000 0.838 257 Q CB -0.188 28.593 28.738 0.073 0.000 0.900 257 Q HN 0.513 nan 8.270 nan 0.000 0.436 258 K N 0.192 120.634 120.400 0.070 0.000 2.063 258 K HA -0.231 4.092 4.320 0.004 0.000 0.208 258 K C 1.656 178.287 176.600 0.052 0.000 1.048 258 K CA 1.890 58.208 56.287 0.052 0.000 0.928 258 K CB -0.163 32.364 32.500 0.046 0.000 0.713 258 K HN 0.189 nan 8.250 nan 0.000 0.442 259 D N -0.126 120.322 120.400 0.079 0.000 2.097 259 D HA -0.112 4.531 4.640 0.004 0.000 0.195 259 D C 1.723 178.083 176.300 0.100 0.000 0.989 259 D CA 1.568 55.617 54.000 0.082 0.000 0.827 259 D CB -0.085 40.775 40.800 0.101 0.000 0.966 259 D HN 0.328 nan 8.370 nan 0.000 0.456 260 A N 0.545 123.460 122.820 0.159 0.000 1.883 260 A HA -0.014 4.308 4.320 0.004 0.000 0.217 260 A C 2.391 179.932 177.584 -0.071 0.000 1.186 260 A CA 2.442 54.544 52.037 0.108 0.000 0.624 260 A CB -1.181 17.793 19.000 -0.042 0.000 0.822 260 A HN 0.332 nan 8.150 nan 0.000 0.444 261 A N -0.223 122.553 122.820 -0.073 0.000 1.902 261 A HA 0.156 4.478 4.320 0.004 0.000 0.217 261 A C 2.525 180.085 177.584 -0.040 0.000 1.181 261 A CA 2.186 54.166 52.037 -0.094 0.000 0.623 261 A CB -1.065 17.937 19.000 0.003 0.000 0.818 261 A HN 1.096 nan 8.150 nan 0.000 0.443 262 A N -0.235 122.583 122.820 -0.003 0.000 1.902 262 A HA -0.169 4.153 4.320 0.004 0.000 0.217 262 A C 2.236 179.814 177.584 -0.010 0.000 1.181 262 A CA 1.643 53.686 52.037 0.010 0.000 0.623 262 A CB -0.444 18.564 19.000 0.013 0.000 0.818 262 A HN 0.548 nan 8.150 nan 0.000 0.443 263 R N -0.676 119.807 120.500 -0.028 0.000 2.092 263 R HA 0.025 4.368 4.340 0.004 0.000 0.231 263 R C 2.006 178.258 176.300 -0.080 0.000 1.119 263 R CA 1.257 57.331 56.100 -0.045 0.000 0.970 263 R CB -0.426 29.856 30.300 -0.031 0.000 0.864 263 R HN 0.507 nan 8.270 nan 0.000 0.440 264 L N 0.094 121.216 121.223 -0.168 0.000 2.056 264 L HA -0.139 4.203 4.340 0.004 0.000 0.207 264 L C 2.520 179.379 176.870 -0.017 0.000 1.078 264 L CA 1.346 56.006 54.840 -0.301 0.000 0.749 264 L CB -0.317 41.184 42.059 -0.930 0.000 0.901 264 L HN 0.127 nan 8.230 nan 0.000 0.433 265 R N -0.050 120.497 120.500 0.078 0.000 2.091 265 R HA -0.161 4.181 4.340 0.004 0.000 0.238 265 R C 2.397 178.759 176.300 0.103 0.000 1.136 265 R CA 1.403 57.609 56.100 0.176 0.000 0.959 265 R CB -0.571 29.813 30.300 0.139 0.000 0.856 265 R HN 0.363 nan 8.270 nan 0.000 0.437 266 A N 1.324 124.171 122.820 0.046 0.000 1.933 266 A HA -0.146 4.177 4.320 0.004 0.000 0.218 266 A C 2.054 179.653 177.584 0.025 0.000 1.175 266 A CA 1.093 53.145 52.037 0.025 0.000 0.628 266 A CB -0.264 18.735 19.000 -0.001 0.000 0.814 266 A HN 0.106 nan 8.150 nan 0.000 0.444 267 R N -0.208 120.305 120.500 0.021 0.000 2.096 267 R HA -0.109 4.233 4.340 0.004 0.000 0.235 267 R C 1.905 178.241 176.300 0.061 0.000 1.127 267 R CA 1.734 57.847 56.100 0.020 0.000 0.968 267 R CB -1.280 29.022 30.300 0.002 0.000 0.861 267 R HN 0.671 nan 8.270 nan 0.000 0.440 268 V N -0.866 119.116 119.914 0.113 0.000 3.596 268 V HA 0.111 4.234 4.120 0.004 0.000 0.289 268 V C 0.225 176.366 176.094 0.078 0.000 1.336 268 V CA -0.596 61.776 62.300 0.119 0.000 1.137 268 V CB -0.488 31.452 31.823 0.195 0.000 0.966 268 V HN -0.096 nan 8.190 nan 0.000 0.428 269 D N 1.596 122.033 120.400 0.062 0.000 2.493 269 D HA 0.401 5.044 4.640 0.004 0.000 0.240 269 D C 1.454 177.771 176.300 0.029 0.000 1.142 269 D CA 1.925 55.949 54.000 0.040 0.000 0.872 269 D CB 0.557 41.375 40.800 0.030 0.000 1.173 269 D HN 0.585 nan 8.370 nan 0.000 0.467 270 G N 2.365 111.177 108.800 0.021 0.000 2.176 270 G HA2 -0.253 3.710 3.960 0.004 0.000 0.253 270 G HA3 -0.253 3.710 3.960 0.004 0.000 0.253 270 G C 0.454 175.365 174.900 0.018 0.000 0.979 270 G CA 0.368 45.478 45.100 0.016 0.000 0.641 270 G HN 0.787 nan 8.290 nan 0.000 0.530 271 S N 0.025 115.739 115.700 0.024 0.000 2.565 271 S HA 0.684 5.157 4.470 0.004 0.000 0.274 271 S C 1.197 175.807 174.600 0.016 0.000 1.309 271 S CA 0.792 59.007 58.200 0.024 0.000 1.043 271 S CB 1.354 64.575 63.200 0.035 0.000 0.939 271 S HN 1.593 nan 8.310 nan 0.000 0.504 272 A N 5.030 127.859 122.820 0.016 0.000 2.470 272 A HA 0.340 4.662 4.320 0.004 0.000 0.251 272 A C 1.696 179.290 177.584 0.016 0.000 1.245 272 A CA -0.340 51.706 52.037 0.015 0.000 0.932 272 A CB 0.091 19.100 19.000 0.015 0.000 1.037 272 A HN 0.715 nan 8.150 nan 0.000 0.522 273 R N -0.123 120.386 120.500 0.015 0.000 2.265 273 R HA 0.108 4.451 4.340 0.004 0.000 0.194 273 R C 0.744 177.047 176.300 0.004 0.000 0.931 273 R CA 0.906 57.014 56.100 0.012 0.000 1.032 273 R CB -0.341 29.968 30.300 0.016 0.000 0.980 273 R HN 0.491 nan 8.270 nan 0.000 0.497 274 V N -1.236 118.677 119.914 -0.001 0.000 2.997 274 V HA 0.444 4.566 4.120 0.004 0.000 0.311 274 V C 0.494 176.577 176.094 -0.018 0.000 1.066 274 V CA -0.950 61.332 62.300 -0.030 0.000 1.039 274 V CB 1.985 33.777 31.823 -0.052 0.000 1.081 274 V HN -0.263 nan 8.190 nan 0.000 0.467 275 V N 3.922 123.815 119.914 -0.035 0.000 2.364 275 V HA 0.440 4.563 4.120 0.004 0.000 0.272 275 V C 1.038 177.131 176.094 -0.003 0.000 1.036 275 V CA -0.244 62.073 62.300 0.029 0.000 0.880 275 V CB 0.640 32.472 31.823 0.015 0.000 0.991 275 V HN 0.930 nan 8.190 nan 0.000 0.460 276 R N 1.600 122.102 120.500 0.003 0.000 2.362 276 R HA 0.190 4.533 4.340 0.004 0.000 0.227 276 R C -0.148 176.068 176.300 -0.140 0.000 0.905 276 R CA -0.201 55.835 56.100 -0.107 0.000 1.067 276 R CB 0.188 30.392 30.300 -0.161 0.000 1.078 276 R HN 0.738 nan 8.270 nan 0.000 0.516 277 H N -0.032 119.011 119.070 -0.044 0.000 2.732 277 H HA 0.080 4.639 4.556 0.004 0.000 0.351 277 H C -0.163 175.143 175.328 -0.037 0.000 1.090 277 H CA -0.096 55.932 56.048 -0.034 0.000 1.431 277 H CB 0.860 30.605 29.762 -0.029 0.000 1.447 277 H HN -0.220 nan 8.280 nan 0.000 0.582 278 V N 5.695 125.650 119.914 0.069 0.000 2.389 278 V HA -0.021 4.101 4.120 0.004 0.000 0.264 278 V C 1.821 177.940 176.094 0.042 0.000 1.049 278 V CA -0.070 62.248 62.300 0.031 0.000 0.932 278 V CB -0.154 31.676 31.823 0.013 0.000 1.011 278 V HN 0.816 nan 8.190 nan 0.000 0.475 279 I N 3.226 123.811 120.570 0.026 0.000 2.335 279 I HA -0.143 4.030 4.170 0.004 0.000 0.251 279 I C 2.088 178.212 176.117 0.012 0.000 1.129 279 I CA 1.969 63.278 61.300 0.016 0.000 1.402 279 I CB -0.255 37.746 38.000 0.002 0.000 1.069 279 I HN 0.550 nan 8.210 nan 0.000 0.424 280 A N 1.072 123.899 122.820 0.011 0.000 2.172 280 A HA -0.104 4.218 4.320 0.004 0.000 0.216 280 A C 2.122 179.712 177.584 0.010 0.000 1.154 280 A CA 1.234 53.276 52.037 0.008 0.000 0.701 280 A CB -0.680 18.324 19.000 0.006 0.000 0.789 280 A HN 0.662 nan 8.150 nan 0.000 0.465 281 E N -0.348 119.861 120.200 0.016 0.000 2.285 281 E HA -0.073 4.279 4.350 0.004 0.000 0.194 281 E C 1.146 177.755 176.600 0.015 0.000 0.997 281 E CA -0.090 56.321 56.400 0.018 0.000 0.845 281 E CB -0.044 29.673 29.700 0.028 0.000 0.782 281 E HN 0.531 nan 8.360 nan 0.000 0.491 282 R N 2.020 122.527 120.500 0.012 0.000 2.401 282 R HA 0.090 4.433 4.340 0.004 0.000 0.299 282 R C -0.546 175.755 176.300 0.001 0.000 1.064 282 R CA -0.007 56.096 56.100 0.004 0.000 1.000 282 R CB 0.430 30.728 30.300 -0.004 0.000 0.973 282 R HN -0.089 nan 8.270 nan 0.000 0.438 283 R N 4.932 125.432 120.500 0.000 0.000 2.229 283 R HA 0.288 4.631 4.340 0.004 0.000 0.328 283 R C -0.438 175.860 176.300 -0.003 0.000 1.009 283 R CA -0.512 55.588 56.100 -0.001 0.000 0.864 283 R CB 1.125 31.425 30.300 0.000 0.000 1.085 283 R HN 0.470 nan 8.270 nan 0.000 0.453 284 L N 2.819 124.039 121.223 -0.004 0.000 2.379 284 L HA 0.356 4.698 4.340 0.004 0.000 0.269 284 L C 0.120 176.987 176.870 -0.005 0.000 1.084 284 L CA -0.514 54.322 54.840 -0.005 0.000 0.802 284 L CB 0.945 43.000 42.059 -0.005 0.000 1.175 284 L HN 0.689 nan 8.230 nan 0.000 0.448 285 D N 0.672 121.069 120.400 -0.006 0.000 2.566 285 D HA 0.432 5.074 4.640 0.004 0.000 0.254 285 D C 0.504 176.801 176.300 -0.005 0.000 1.090 285 D CA -0.364 53.633 54.000 -0.005 0.000 1.034 285 D CB 1.328 42.125 40.800 -0.005 0.000 1.434 285 D HN 0.418 nan 8.370 nan 0.000 0.509 286 A N -0.029 122.788 122.820 -0.004 0.000 1.948 286 A HA 0.012 4.334 4.320 0.004 0.000 0.220 286 A C 2.010 179.591 177.584 -0.005 0.000 1.177 286 A CA 2.178 54.213 52.037 -0.005 0.000 0.636 286 A CB -1.610 17.388 19.000 -0.004 0.000 0.815 286 A HN 0.709 nan 8.150 nan 0.000 0.449 287 G N -1.072 107.724 108.800 -0.006 0.000 2.559 287 G HA2 -0.092 3.871 3.960 0.004 0.000 0.216 287 G HA3 -0.092 3.871 3.960 0.004 0.000 0.216 287 G C 0.903 175.798 174.900 -0.008 0.000 1.126 287 G CA 0.970 46.065 45.100 -0.007 0.000 0.778 287 G HN 0.519 nan 8.290 nan 0.000 0.543 288 D N 0.273 120.668 120.400 -0.009 0.000 2.333 288 D HA 0.027 4.670 4.640 0.004 0.000 0.208 288 D C 0.912 177.206 176.300 -0.009 0.000 0.984 288 D CA -0.073 53.921 54.000 -0.010 0.000 0.873 288 D CB 0.474 41.268 40.800 -0.011 0.000 0.935 288 D HN 0.134 nan 8.370 nan 0.000 0.521 289 I N 1.733 122.298 120.570 -0.008 0.000 2.578 289 I HA 0.282 4.454 4.170 0.004 0.000 0.286 289 I C 1.316 177.429 176.117 -0.007 0.000 1.126 289 I CA 0.713 62.009 61.300 -0.007 0.000 1.380 289 I CB -0.083 37.913 38.000 -0.005 0.000 1.408 289 I HN -0.041 nan 8.210 nan 0.000 0.532 290 G N 5.460 114.256 108.800 -0.008 0.000 2.360 290 G HA2 0.214 4.177 3.960 0.004 0.000 0.276 290 G HA3 0.214 4.177 3.960 0.004 0.000 0.276 290 G C -1.195 173.699 174.900 -0.009 0.000 1.256 290 G CA -0.589 44.506 45.100 -0.008 0.000 0.890 290 G HN 0.338 nan 8.290 nan 0.000 0.486 291 T N 1.945 116.494 114.554 -0.009 0.000 2.758 291 T HA 0.565 4.918 4.350 0.004 0.000 0.285 291 T C -0.291 174.402 174.700 -0.012 0.000 0.981 291 T CA -0.294 61.800 62.100 -0.010 0.000 0.965 291 T CB 1.387 70.249 68.868 -0.010 0.000 0.927 291 T HN 0.426 nan 8.240 nan 0.000 0.448 292 E N 3.178 123.369 120.200 -0.014 0.000 2.283 292 E HA 0.207 4.560 4.350 0.004 0.000 0.267 292 E C -1.370 175.220 176.600 -0.017 0.000 1.045 292 E CA -2.016 54.374 56.400 -0.017 0.000 0.884 292 E CB 0.854 30.542 29.700 -0.019 0.000 1.106 292 E HN 0.328 nan 8.360 nan 0.000 0.408 293 P HA -0.129 nan 4.420 nan 0.000 0.215 293 P C -0.243 177.045 177.300 -0.019 0.000 1.153 293 P CA 1.436 64.525 63.100 -0.019 0.000 0.853 293 P CB 0.352 32.040 31.700 -0.020 0.000 0.788 294 E N -1.515 118.672 120.200 -0.021 0.000 2.336 294 E HA 0.556 4.909 4.350 0.004 0.000 0.267 294 E C -0.577 176.011 176.600 -0.019 0.000 0.906 294 E CA -0.973 55.415 56.400 -0.021 0.000 0.781 294 E CB 2.129 31.815 29.700 -0.024 0.000 1.261 294 E HN -0.083 nan 8.360 nan 0.000 0.436 295 A N 0.427 123.237 122.820 -0.016 0.000 2.346 295 A HA 0.456 4.779 4.320 0.004 0.000 0.252 295 A C 1.204 178.781 177.584 -0.013 0.000 1.089 295 A CA 0.440 52.470 52.037 -0.011 0.000 0.797 295 A CB 0.041 19.037 19.000 -0.007 0.000 1.047 295 A HN 0.663 nan 8.150 nan 0.000 0.494 296 G N -0.841 107.954 108.800 -0.009 0.000 2.848 296 G HA2 0.292 4.255 3.960 0.004 0.000 0.208 296 G HA3 0.292 4.255 3.960 0.004 0.000 0.208 296 G C 0.437 175.331 174.900 -0.010 0.000 1.152 296 G CA 0.336 45.430 45.100 -0.011 0.000 0.789 296 G HN 0.698 nan 8.290 nan 0.000 0.531 297 Q N 0.124 119.924 119.800 -0.000 0.000 2.389 297 Q HA 0.292 4.635 4.340 0.004 0.000 0.277 297 Q C -1.450 174.559 176.000 0.015 0.000 1.082 297 Q CA -1.021 54.786 55.803 0.007 0.000 0.810 297 Q CB 2.110 30.869 28.738 0.034 0.000 1.374 297 Q HN 0.034 nan 8.270 nan 0.000 0.422 298 D N 0.759 121.167 120.400 0.013 0.000 2.377 298 D HA 0.341 4.984 4.640 0.004 0.000 0.245 298 D C -0.142 176.211 176.300 0.087 0.000 1.196 298 D CA -0.046 53.971 54.000 0.027 0.000 0.962 298 D CB 0.824 41.628 40.800 0.008 0.000 1.127 298 D HN 0.623 nan 8.370 nan 0.000 0.471 299 A N 0.558 123.420 122.820 0.069 0.000 2.386 299 A HA 0.002 4.324 4.320 0.004 0.000 0.246 299 A C 0.658 178.378 177.584 0.227 0.000 1.089 299 A CA -0.108 51.972 52.037 0.072 0.000 0.790 299 A CB -0.080 18.926 19.000 0.009 0.000 1.042 299 A HN 0.539 nan 8.150 nan 0.000 0.497 300 Y N 0.945 121.262 120.300 0.029 0.000 2.256 300 Y HA -0.198 4.355 4.550 0.004 0.000 0.288 300 Y C 2.901 178.835 175.900 0.057 0.000 1.155 300 Y CA 1.554 59.678 58.100 0.040 0.000 1.203 300 Y CB -1.373 37.102 38.460 0.025 0.000 0.980 300 Y HN 0.751 nan 8.280 nan 0.000 0.530 301 S N -1.019 114.808 115.700 0.211 0.000 2.500 301 S HA -0.104 4.368 4.470 0.004 0.000 0.239 301 S C 1.784 176.490 174.600 0.176 0.000 0.989 301 S CA 1.081 59.373 58.200 0.153 0.000 0.951 301 S CB -0.552 62.713 63.200 0.108 0.000 0.759 301 S HN 0.460 nan 8.310 nan 0.000 0.523 302 L N -0.338 121.010 121.223 0.208 0.000 2.588 302 L HA 0.360 4.703 4.340 0.004 0.000 0.194 302 L C 2.739 179.831 176.870 0.370 0.000 1.070 302 L CA 0.214 55.229 54.840 0.292 0.000 0.852 302 L CB -0.233 41.936 42.059 0.183 0.000 1.199 302 L HN 0.162 nan 8.230 nan 0.000 0.486 303 R N -0.015 120.621 120.500 0.227 0.000 2.105 303 R HA -0.148 4.195 4.340 0.004 0.000 0.239 303 R C 1.515 177.924 176.300 0.182 0.000 1.135 303 R CA 1.853 58.063 56.100 0.183 0.000 0.967 303 R CB -0.213 30.161 30.300 0.122 0.000 0.861 303 R HN 0.397 nan 8.270 nan 0.000 0.442 304 C N 0.301 119.667 119.300 0.110 0.000 2.688 304 C HA 0.441 4.904 4.460 0.004 0.000 0.297 304 C C 2.075 177.077 174.990 0.020 0.000 1.308 304 C CA -0.403 58.615 59.018 0.001 0.000 1.726 304 C CB -0.455 27.189 27.740 -0.160 0.000 1.982 304 C HN 0.620 nan 8.230 nan 0.000 0.604 305 A N 2.658 125.533 122.820 0.092 0.000 1.908 305 A HA -0.092 4.231 4.320 0.004 0.000 0.218 305 A C 0.023 177.519 177.584 -0.148 0.000 1.181 305 A CA 1.758 53.780 52.037 -0.024 0.000 0.627 305 A CB -1.524 17.463 19.000 -0.023 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.445 306 P HA -0.148 nan 4.420 nan 0.000 0.216 306 P C 1.250 178.469 177.300 -0.135 0.000 1.150 306 P CA 1.465 64.466 63.100 -0.165 0.000 0.837 306 P CB -0.039 31.613 31.700 -0.081 0.000 0.786 307 Q N -1.024 118.719 119.800 -0.094 0.000 2.083 307 Q HA -0.067 4.275 4.340 0.004 0.000 0.198 307 Q C 2.122 178.033 176.000 -0.148 0.000 0.969 307 Q CA 1.175 56.919 55.803 -0.099 0.000 0.838 307 Q CB -1.292 27.398 28.738 -0.080 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.254 120.078 119.914 -0.151 0.000 2.283 308 V HA -0.190 3.933 4.120 0.004 0.000 0.243 308 V C 2.070 178.005 176.094 -0.265 0.000 1.039 308 V CA 1.399 63.598 62.300 -0.167 0.000 1.016 308 V CB -0.563 31.192 31.823 -0.114 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.597 121.613 121.223 -0.346 0.000 2.046 309 L HA -0.103 4.240 4.340 0.004 0.000 0.208 309 L C 2.661 178.976 176.870 -0.924 0.000 1.077 309 L CA 1.800 56.238 54.840 -0.670 0.000 0.747 309 L CB -1.204 40.448 42.059 -0.678 0.000 0.896 309 L HN 0.485 nan 8.230 nan 0.000 0.432 310 G N -0.402 108.084 108.800 -0.523 0.000 2.442 310 G HA2 -0.259 3.703 3.960 0.004 0.000 0.219 310 G HA3 -0.259 3.703 3.960 0.004 0.000 0.219 310 G C 1.761 176.548 174.900 -0.188 0.000 1.141 310 G CA 0.843 45.771 45.100 -0.287 0.000 0.763 310 G HN 0.478 nan 8.290 nan 0.000 0.554 311 A N 0.757 123.446 122.820 -0.218 0.000 1.930 311 A HA 0.203 4.526 4.320 0.004 0.000 0.217 311 A C 2.684 180.201 177.584 -0.112 0.000 1.175 311 A CA 1.981 53.913 52.037 -0.175 0.000 0.627 311 A CB -0.917 17.972 19.000 -0.185 0.000 0.815 311 A HN 0.499 nan 8.150 nan 0.000 0.443 312 G N -1.069 107.632 108.800 -0.166 0.000 2.402 312 G HA2 -0.098 3.864 3.960 0.004 0.000 0.216 312 G HA3 -0.098 3.864 3.960 0.004 0.000 0.216 312 G C 1.280 176.269 174.900 0.148 0.000 1.162 312 G CA 1.006 46.063 45.100 -0.072 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.742 121.694 119.950 0.004 0.000 2.186 313 F HA 0.039 4.568 4.527 0.004 0.000 0.299 313 F C 2.292 178.116 175.800 0.039 0.000 1.090 313 F CA 0.361 58.376 58.000 0.025 0.000 1.307 313 F CB -0.651 38.358 39.000 0.016 0.000 1.019 313 F HN 0.115 nan 8.300 nan 0.000 0.489 314 D N -0.552 119.972 120.400 0.207 0.000 2.178 314 D HA -0.101 4.542 4.640 0.004 0.000 0.202 314 D C 2.205 178.611 176.300 0.177 0.000 0.974 314 D CA 1.382 55.471 54.000 0.149 0.000 0.841 314 D CB -0.368 40.469 40.800 0.061 0.000 0.953 314 D HN 0.202 nan 8.370 nan 0.000 0.478 315 T N 1.198 115.849 114.554 0.161 0.000 2.777 315 T HA -0.118 4.235 4.350 0.004 0.000 0.266 315 T C 1.906 176.770 174.700 0.274 0.000 1.040 315 T CA 0.387 62.621 62.100 0.224 0.000 1.141 315 T CB -0.225 68.727 68.868 0.141 0.000 0.868 315 T HN 0.040 nan 8.240 nan 0.000 0.444 316 L N 1.521 122.865 121.223 0.201 0.000 2.083 316 L HA 0.091 4.433 4.340 0.004 0.000 0.209 316 L C 2.566 179.553 176.870 0.194 0.000 1.083 316 L CA 1.726 56.660 54.840 0.156 0.000 0.752 316 L CB -1.027 41.106 42.059 0.123 0.000 0.899 316 L HN 0.220 nan 8.230 nan 0.000 0.433 317 A N -1.241 121.697 122.820 0.195 0.000 1.902 317 A HA -0.277 4.046 4.320 0.004 0.000 0.217 317 A C 2.125 179.849 177.584 0.234 0.000 1.181 317 A CA 1.727 53.870 52.037 0.176 0.000 0.623 317 A CB -1.422 17.673 19.000 0.158 0.000 0.818 317 A HN 0.733 nan 8.150 nan 0.000 0.443 318 W N 0.379 121.737 121.300 0.097 0.000 2.379 318 W HA -0.186 4.477 4.660 0.004 0.000 0.307 318 W C 2.261 178.847 176.519 0.112 0.000 1.200 318 W CA 1.921 59.319 57.345 0.088 0.000 1.297 318 W CB -0.775 28.731 29.460 0.076 0.000 1.140 318 W HN 0.627 nan 8.180 nan 0.000 0.507 319 H N 0.155 119.173 119.070 -0.086 0.000 2.319 319 H HA -0.178 4.380 4.556 0.004 0.000 0.297 319 H C 1.364 176.582 175.328 -0.182 0.000 1.097 319 H CA 2.434 58.326 56.048 -0.260 0.000 1.285 319 H CB -0.532 29.186 29.762 -0.075 0.000 1.368 319 H HN 0.066 nan 8.280 nan 0.000 0.495 320 D N 0.184 120.636 120.400 0.086 0.000 2.178 320 D HA -0.067 4.576 4.640 0.004 0.000 0.202 320 D C 2.597 178.868 176.300 -0.048 0.000 0.974 320 D CA 0.541 54.560 54.000 0.032 0.000 0.841 320 D CB -0.208 40.653 40.800 0.100 0.000 0.953 320 D HN 0.381 nan 8.370 nan 0.000 0.478 321 R N 0.257 120.738 120.500 -0.033 0.000 2.066 321 R HA -0.052 4.290 4.340 0.004 0.000 0.232 321 R C 2.306 178.550 176.300 -0.092 0.000 1.131 321 R CA 0.742 56.831 56.100 -0.018 0.000 0.955 321 R CB -0.411 29.925 30.300 0.060 0.000 0.851 321 R HN 0.098 nan 8.270 nan 0.000 0.432 322 V N 1.390 121.170 119.914 -0.223 0.000 2.358 322 V HA -0.218 3.905 4.120 0.004 0.000 0.246 322 V C 2.212 178.163 176.094 -0.239 0.000 1.047 322 V CA 1.378 63.525 62.300 -0.256 0.000 1.035 322 V CB -0.427 31.127 31.823 -0.449 0.000 0.658 322 V HN 0.235 nan 8.190 nan 0.000 0.452 323 L N 0.033 121.075 121.223 -0.302 0.000 2.083 323 L HA -0.134 4.209 4.340 0.004 0.000 0.209 323 L C 2.420 179.205 176.870 -0.141 0.000 1.083 323 L CA 2.322 57.009 54.840 -0.255 0.000 0.752 323 L CB -0.966 40.893 42.059 -0.334 0.000 0.899 323 L HN 0.332 nan 8.230 nan 0.000 0.433 324 T N -0.192 114.305 114.554 -0.095 0.000 2.788 324 T HA -0.139 4.214 4.350 0.004 0.000 0.268 324 T C 1.962 176.648 174.700 -0.025 0.000 1.044 324 T CA 1.930 64.008 62.100 -0.036 0.000 1.139 324 T CB -0.269 68.620 68.868 0.035 0.000 0.867 324 T HN 0.319 nan 8.240 nan 0.000 0.454 325 I N 0.641 121.184 120.570 -0.046 0.000 2.202 325 I HA -0.127 4.045 4.170 0.004 0.000 0.242 325 I C 2.716 178.781 176.117 -0.086 0.000 1.091 325 I CA 1.223 62.491 61.300 -0.052 0.000 1.368 325 I CB -0.277 37.670 38.000 -0.088 0.000 1.058 325 I HN 0.196 nan 8.210 nan 0.000 0.410 326 E N 1.313 121.441 120.200 -0.120 0.000 2.051 326 E HA -0.260 4.093 4.350 0.004 0.000 0.192 326 E C 2.036 178.585 176.600 -0.085 0.000 0.991 326 E CA 1.308 57.638 56.400 -0.116 0.000 0.799 326 E CB -0.286 29.340 29.700 -0.123 0.000 0.748 326 E HN 0.300 nan 8.360 nan 0.000 0.449 327 L N 0.993 122.164 121.223 -0.086 0.000 2.079 327 L HA -0.109 4.233 4.340 0.004 0.000 0.210 327 L C 1.222 178.045 176.870 -0.079 0.000 1.081 327 L CA 1.846 56.638 54.840 -0.081 0.000 0.752 327 L CB -0.447 41.557 42.059 -0.092 0.000 0.896 327 L HN 0.154 nan 8.230 nan 0.000 0.433 328 N N -0.112 118.543 118.700 -0.076 0.000 2.322 328 N HA 0.189 4.931 4.740 0.004 0.000 0.194 328 N C 0.330 175.824 175.510 -0.026 0.000 1.126 328 N CA 0.627 53.645 53.050 -0.053 0.000 0.845 328 N CB 0.222 38.699 38.487 -0.017 0.000 0.976 328 N HN 0.430 nan 8.380 nan 0.000 0.475 329 A N 0.244 123.038 122.820 -0.042 0.000 2.248 329 A HA 0.580 4.903 4.320 0.004 0.000 0.316 329 A C 0.002 177.563 177.584 -0.037 0.000 1.101 329 A CA -0.400 51.611 52.037 -0.043 0.000 0.875 329 A CB 1.029 19.988 19.000 -0.069 0.000 1.207 329 A HN -0.041 nan 8.150 nan 0.000 0.504 330 V N 1.313 121.205 119.914 -0.037 0.000 2.311 330 V HA 0.289 4.412 4.120 0.004 0.000 0.275 330 V C 0.871 176.942 176.094 -0.037 0.000 1.022 330 V CA 0.386 62.669 62.300 -0.028 0.000 0.830 330 V CB 0.583 32.391 31.823 -0.025 0.000 1.012 330 V HN 1.024 nan 8.190 nan 0.000 0.452 331 T N -0.687 113.855 114.554 -0.021 0.000 3.186 331 T HA 0.204 4.556 4.350 0.004 0.000 0.257 331 T C 0.146 174.867 174.700 0.035 0.000 1.029 331 T CA -0.529 61.565 62.100 -0.010 0.000 0.916 331 T CB -0.383 68.489 68.868 0.006 0.000 1.041 331 T HN 0.536 nan 8.240 nan 0.000 0.562 332 D N 2.468 122.879 120.400 0.018 0.000 2.344 332 D HA 0.510 5.153 4.640 0.004 0.000 0.244 332 D C -0.085 176.232 176.300 0.027 0.000 1.134 332 D CA 0.048 54.072 54.000 0.039 0.000 0.930 332 D CB 0.541 41.346 40.800 0.009 0.000 1.175 332 D HN 0.336 nan 8.370 nan 0.000 0.437 333 N N 0.224 118.968 118.700 0.073 0.000 2.537 333 N HA 0.281 5.023 4.740 0.004 0.000 0.281 333 N C -2.933 172.594 175.510 0.030 0.000 1.097 333 N CA -1.347 51.722 53.050 0.032 0.000 0.964 333 N CB 1.828 40.470 38.487 0.258 0.000 1.588 333 N HN 0.021 nan 8.380 nan 0.000 0.511 334 P HA 0.307 nan 4.420 nan 0.000 0.279 334 P C -0.885 176.085 177.300 -0.549 0.000 1.282 334 P CA -0.435 62.384 63.100 -0.468 0.000 0.788 334 P CB 0.919 32.152 31.700 -0.778 0.000 1.139 335 V N -3.666 115.842 119.914 -0.676 0.000 2.962 335 V HA 0.624 4.746 4.120 0.004 0.000 0.313 335 V C -1.027 174.602 176.094 -0.776 0.000 1.099 335 V CA -0.936 61.000 62.300 -0.607 0.000 0.971 335 V CB 1.653 33.318 31.823 -0.263 0.000 1.028 335 V HN 0.223 nan 8.190 nan 0.000 0.430 336 F N 2.171 122.106 119.950 -0.025 0.000 2.359 336 F HA 0.612 5.142 4.527 0.005 0.000 0.369 336 F C -2.395 173.400 175.800 -0.008 0.000 1.084 336 F CA -2.557 55.436 58.000 -0.012 0.000 1.096 336 F CB 1.235 40.235 39.000 -0.001 0.000 1.335 336 F HN 0.293 nan 8.300 nan 0.000 0.457 337 P HA -0.013 nan 4.420 nan 0.000 0.258 337 P C -1.966 175.378 177.300 0.073 0.000 1.172 337 P CA -0.582 62.552 63.100 0.057 0.000 0.762 337 P CB 0.462 32.182 31.700 0.034 0.000 0.764 338 P HA -0.191 nan 4.420 nan 0.000 0.218 338 P C 0.892 178.213 177.300 0.035 0.000 1.148 338 P CA 1.382 64.510 63.100 0.046 0.000 0.822 338 P CB -0.113 31.607 31.700 0.033 0.000 0.784 339 D N -1.459 118.959 120.400 0.029 0.000 2.310 339 D HA -0.014 4.629 4.640 0.004 0.000 0.212 339 D C 1.431 177.748 176.300 0.028 0.000 0.965 339 D CA 1.121 55.135 54.000 0.024 0.000 0.879 339 D CB -1.251 39.559 40.800 0.017 0.000 0.921 339 D HN 0.206 nan 8.370 nan 0.000 0.510 340 G N -0.112 108.711 108.800 0.039 0.000 2.143 340 G HA2 -0.354 3.609 3.960 0.004 0.000 0.248 340 G HA3 -0.354 3.609 3.960 0.004 0.000 0.248 340 G C 1.173 176.096 174.900 0.039 0.000 0.991 340 G CA 1.058 46.184 45.100 0.043 0.000 0.689 340 G HN 0.656 nan 8.290 nan 0.000 0.522 341 S N -1.488 114.232 115.700 0.034 0.000 2.370 341 S HA 0.211 4.683 4.470 0.004 0.000 0.226 341 S C 1.213 175.834 174.600 0.034 0.000 1.033 341 S CA 1.944 60.161 58.200 0.028 0.000 1.011 341 S CB -0.343 62.869 63.200 0.020 0.000 0.852 341 S HN 2.035 nan 8.310 nan 0.000 0.457 342 V N -3.482 116.459 119.914 0.044 0.000 3.078 342 V HA 0.564 4.687 4.120 0.004 0.000 0.311 342 V C -2.499 173.645 176.094 0.084 0.000 1.138 342 V CA -2.158 60.175 62.300 0.055 0.000 1.007 342 V CB 1.167 33.018 31.823 0.046 0.000 1.045 342 V HN -0.123 nan 8.190 nan 0.000 0.432 343 P HA 0.192 nan 4.420 nan 0.000 0.216 343 P C 0.293 177.733 177.300 0.233 0.000 1.150 343 P CA 2.230 65.422 63.100 0.154 0.000 0.837 343 P CB 0.160 31.946 31.700 0.143 0.000 0.786 344 A N -2.160 120.746 122.820 0.143 0.000 2.597 344 A HA 0.610 4.933 4.320 0.004 0.000 0.292 344 A C -1.934 175.624 177.584 -0.044 0.000 1.057 344 A CA -0.561 51.481 52.037 0.008 0.000 0.674 344 A CB 0.353 19.334 19.000 -0.031 0.000 1.278 344 A HN -0.054 nan 8.150 nan 0.000 0.416 345 L N 1.194 122.300 121.223 -0.194 0.000 2.365 345 L HA 0.603 4.945 4.340 0.004 0.000 0.273 345 L C -1.056 175.661 176.870 -0.255 0.000 1.000 345 L CA -0.693 54.077 54.840 -0.116 0.000 0.819 345 L CB 2.175 44.173 42.059 -0.102 0.000 1.284 345 L HN 0.856 nan 8.230 nan 0.000 0.418 346 H N 1.242 120.251 119.070 -0.102 0.000 2.539 346 H HA 0.734 5.293 4.556 0.004 0.000 0.332 346 H C 0.167 175.437 175.328 -0.096 0.000 1.031 346 H CA -0.155 55.834 56.048 -0.098 0.000 1.206 346 H CB 1.956 31.662 29.762 -0.094 0.000 1.446 346 H HN 0.740 nan 8.280 nan 0.000 0.496 347 G N 0.695 109.477 108.800 -0.030 0.000 2.793 347 G HA2 0.451 4.414 3.960 0.004 0.000 0.248 347 G HA3 0.451 4.414 3.960 0.004 0.000 0.248 347 G C -0.250 174.520 174.900 -0.218 0.000 1.198 347 G CA -0.313 44.729 45.100 -0.097 0.000 0.865 347 G HN 0.661 nan 8.290 nan 0.000 0.534 348 G N 0.026 108.573 108.800 -0.421 0.000 4.716 348 G HA2 0.283 4.246 3.960 0.004 0.000 0.282 348 G HA3 0.283 4.246 3.960 0.004 0.000 0.282 348 G C 0.237 174.533 174.900 -1.007 0.000 1.173 348 G CA -0.145 44.339 45.100 -1.026 0.000 0.913 348 G HN 0.261 nan 8.290 nan 0.000 0.566 349 N N 0.882 119.211 118.700 -0.618 0.000 2.609 349 N HA -0.041 4.702 4.740 0.004 0.000 0.190 349 N C 1.492 176.844 175.510 -0.263 0.000 1.157 349 N CA 0.326 53.168 53.050 -0.347 0.000 0.918 349 N CB -0.148 38.227 38.487 -0.186 0.000 0.978 349 N HN 0.630 nan 8.380 nan 0.000 0.448 350 F N -1.176 118.755 119.950 -0.032 0.000 2.789 350 F HA 0.325 4.855 4.527 0.004 0.000 0.300 350 F C 0.822 176.618 175.800 -0.006 0.000 1.132 350 F CA -0.775 57.213 58.000 -0.021 0.000 1.404 350 F CB -0.707 38.280 39.000 -0.022 0.000 1.114 350 F HN -0.166 nan 8.300 nan 0.000 0.584 351 M N 2.708 122.278 119.600 -0.050 0.000 2.350 351 M HA 0.361 4.844 4.480 0.004 0.000 0.338 351 M C 0.948 177.290 176.300 0.070 0.000 1.559 351 M CA -0.504 54.844 55.300 0.080 0.000 1.217 351 M CB 0.213 32.782 32.600 -0.051 0.000 1.808 351 M HN 0.232 nan 8.290 nan 0.000 0.458 352 G N 3.475 112.336 108.800 0.101 0.000 3.452 352 G HA2 0.041 4.003 3.960 0.004 0.000 0.258 352 G HA3 0.041 4.003 3.960 0.004 0.000 0.258 352 G C 0.665 175.602 174.900 0.062 0.000 1.305 352 G CA -0.201 44.944 45.100 0.075 0.000 1.514 352 G HN 0.816 nan 8.290 nan 0.000 0.593 353 Q N -0.051 119.784 119.800 0.057 0.000 2.167 353 Q HA -0.088 4.255 4.340 0.004 0.000 0.202 353 Q C 1.915 177.885 176.000 -0.050 0.000 0.970 353 Q CA 1.422 57.226 55.803 0.000 0.000 0.855 353 Q CB -0.104 28.613 28.738 -0.035 0.000 0.911 353 Q HN 0.717 nan 8.270 nan 0.000 0.438 354 H N -1.734 117.313 119.070 -0.039 0.000 2.321 354 H HA -0.061 4.498 4.556 0.005 0.000 0.300 354 H C 1.789 177.037 175.328 -0.134 0.000 1.087 354 H CA 1.777 57.776 56.048 -0.082 0.000 1.319 354 H CB -0.021 29.680 29.762 -0.102 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.509 120.429 119.914 0.009 0.000 2.515 355 V HA -0.205 3.918 4.120 0.004 0.000 0.250 355 V C 2.464 178.545 176.094 -0.023 0.000 1.058 355 V CA 1.347 63.613 62.300 -0.056 0.000 1.064 355 V CB -0.885 30.917 31.823 -0.036 0.000 0.675 355 V HN 0.562 nan 8.190 nan 0.000 0.461 356 A N 0.053 122.873 122.820 0.001 0.000 1.858 356 A HA -0.146 4.177 4.320 0.004 0.000 0.216 356 A C 2.194 179.791 177.584 0.021 0.000 1.190 356 A CA 1.745 53.793 52.037 0.019 0.000 0.617 356 A CB -0.500 18.513 19.000 0.023 0.000 0.827 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.103 121.122 121.223 0.003 0.000 2.093 357 L HA -0.138 4.204 4.340 0.004 0.000 0.208 357 L C 2.969 179.883 176.870 0.074 0.000 1.085 357 L CA 1.756 56.627 54.840 0.053 0.000 0.755 357 L CB -0.858 41.244 42.059 0.072 0.000 0.904 357 L HN 0.668 nan 8.230 nan 0.000 0.435 358 T N -4.656 109.841 114.554 -0.096 0.000 2.857 358 T HA -0.084 4.269 4.350 0.004 0.000 0.266 358 T C 2.025 176.801 174.700 0.126 0.000 1.048 358 T CA 1.200 63.193 62.100 -0.178 0.000 1.139 358 T CB -0.218 68.333 68.868 -0.529 0.000 0.874 358 T HN 0.118 nan 8.240 nan 0.000 0.455 359 S N 1.677 117.449 115.700 0.119 0.000 2.368 359 S HA -0.095 4.377 4.470 0.004 0.000 0.224 359 S C 1.845 176.507 174.600 0.104 0.000 1.029 359 S CA 1.213 59.505 58.200 0.153 0.000 0.988 359 S CB -0.531 62.736 63.200 0.111 0.000 0.838 359 S HN 0.514 nan 8.310 nan 0.000 0.462 360 D N 1.601 122.056 120.400 0.092 0.000 2.144 360 D HA 0.016 4.659 4.640 0.004 0.000 0.199 360 D C 2.107 178.461 176.300 0.091 0.000 0.984 360 D CA 1.158 55.205 54.000 0.079 0.000 0.834 360 D CB -0.387 40.455 40.800 0.070 0.000 0.955 360 D HN 0.375 nan 8.370 nan 0.000 0.465 361 A N 0.640 123.549 122.820 0.149 0.000 1.898 361 A HA -0.118 4.205 4.320 0.004 0.000 0.216 361 A C 2.137 179.794 177.584 0.122 0.000 1.181 361 A CA 0.870 53.015 52.037 0.180 0.000 0.620 361 A CB -0.645 18.589 19.000 0.390 0.000 0.819 361 A HN 0.242 nan 8.150 nan 0.000 0.442 362 L N -0.219 121.070 121.223 0.109 0.000 2.093 362 L HA -0.015 4.327 4.340 0.004 0.000 0.208 362 L C 2.624 179.481 176.870 -0.020 0.000 1.085 362 L CA 2.008 56.857 54.840 0.014 0.000 0.755 362 L CB -0.767 41.221 42.059 -0.118 0.000 0.904 362 L HN 0.339 nan 8.230 nan 0.000 0.435 363 A N -1.529 121.294 122.820 0.005 0.000 1.908 363 A HA -0.214 4.109 4.320 0.004 0.000 0.218 363 A C 2.271 179.832 177.584 -0.038 0.000 1.181 363 A CA 2.338 54.370 52.037 -0.008 0.000 0.627 363 A CB -1.199 17.813 19.000 0.020 0.000 0.818 363 A HN 0.499 nan 8.150 nan 0.000 0.445 364 T N 0.211 114.752 114.554 -0.021 0.000 2.746 364 T HA -0.007 4.346 4.350 0.004 0.000 0.267 364 T C 2.236 176.883 174.700 -0.089 0.000 1.039 364 T CA 1.573 63.648 62.100 -0.041 0.000 1.142 364 T CB -0.457 68.402 68.868 -0.016 0.000 0.866 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.947 123.715 122.820 -0.086 0.000 1.902 365 A HA -0.060 4.263 4.320 0.004 0.000 0.217 365 A C 2.576 179.995 177.584 -0.276 0.000 1.181 365 A CA 1.363 53.317 52.037 -0.138 0.000 0.623 365 A CB -1.030 17.924 19.000 -0.077 0.000 0.818 365 A HN 0.356 nan 8.150 nan 0.000 0.443 366 V N -0.274 119.465 119.914 -0.291 0.000 2.343 366 V HA -0.219 3.904 4.120 0.004 0.000 0.247 366 V C 2.731 178.509 176.094 -0.527 0.000 1.051 366 V CA 2.444 64.428 62.300 -0.527 0.000 1.036 366 V CB -1.161 30.515 31.823 -0.245 0.000 0.654 366 V HN 0.619 nan 8.190 nan 0.000 0.451 367 T N -0.241 114.148 114.554 -0.276 0.000 2.821 367 T HA -0.143 4.209 4.350 0.004 0.000 0.267 367 T C 1.947 176.515 174.700 -0.220 0.000 1.046 367 T CA 1.506 63.486 62.100 -0.202 0.000 1.139 367 T CB -0.156 68.649 68.868 -0.104 0.000 0.871 367 T HN 0.279 nan 8.240 nan 0.000 0.454 368 V N 1.216 120.998 119.914 -0.220 0.000 2.295 368 V HA -0.101 4.022 4.120 0.004 0.000 0.246 368 V C 2.387 178.340 176.094 -0.235 0.000 1.049 368 V CA 1.342 63.532 62.300 -0.184 0.000 1.024 368 V CB -0.546 31.183 31.823 -0.156 0.000 0.648 368 V HN 0.321 nan 8.190 nan 0.000 0.447 369 L N 0.290 121.277 121.223 -0.393 0.000 2.141 369 L HA -0.031 4.311 4.340 0.004 0.000 0.209 369 L C 2.544 179.193 176.870 -0.368 0.000 1.094 369 L CA 2.038 56.632 54.840 -0.410 0.000 0.763 369 L CB -1.178 40.501 42.059 -0.633 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.536 121.939 122.820 -0.575 0.000 1.969 370 A HA -0.057 4.265 4.320 0.004 0.000 0.218 370 A C 2.424 179.986 177.584 -0.038 0.000 1.169 370 A CA 1.479 53.382 52.037 -0.223 0.000 0.635 370 A CB -1.204 17.689 19.000 -0.178 0.000 0.810 370 A HN 0.420 nan 8.150 nan 0.000 0.445 371 G N -0.105 108.645 108.800 -0.084 0.000 2.422 371 G HA2 -0.120 3.842 3.960 0.004 0.000 0.218 371 G HA3 -0.120 3.842 3.960 0.004 0.000 0.218 371 G C 1.473 176.376 174.900 0.004 0.000 1.146 371 G CA 1.162 46.245 45.100 -0.028 0.000 0.769 371 G HN 0.507 nan 8.290 nan 0.000 0.547 372 L N 1.418 122.638 121.223 -0.004 0.000 2.017 372 L HA 0.147 4.490 4.340 0.004 0.000 0.208 372 L C 3.020 179.934 176.870 0.074 0.000 1.073 372 L CA 2.321 57.180 54.840 0.032 0.000 0.745 372 L CB -0.782 41.288 42.059 0.018 0.000 0.894 372 L HN 0.211 nan 8.230 nan 0.000 0.432 373 A N -0.881 122.009 122.820 0.117 0.000 1.902 373 A HA -0.231 4.092 4.320 0.004 0.000 0.217 373 A C 2.329 179.974 177.584 0.101 0.000 1.181 373 A CA 1.730 53.854 52.037 0.146 0.000 0.623 373 A CB -0.781 18.365 19.000 0.245 0.000 0.818 373 A HN 0.600 nan 8.150 nan 0.000 0.443 374 E N -0.066 120.186 120.200 0.088 0.000 2.110 374 E HA -0.189 4.163 4.350 0.004 0.000 0.193 374 E C 2.033 178.668 176.600 0.058 0.000 0.988 374 E CA 0.827 57.268 56.400 0.068 0.000 0.804 374 E CB -0.197 29.537 29.700 0.057 0.000 0.745 374 E HN 0.376 nan 8.360 nan 0.000 0.458 375 R N 0.312 120.844 120.500 0.053 0.000 2.148 375 R HA -0.020 4.323 4.340 0.004 0.000 0.223 375 R C 2.349 178.679 176.300 0.050 0.000 1.088 375 R CA 0.731 56.859 56.100 0.047 0.000 0.985 375 R CB -0.342 29.983 30.300 0.043 0.000 0.880 375 R HN 0.389 nan 8.270 nan 0.000 0.451 376 Q N 0.045 119.881 119.800 0.060 0.000 2.119 376 Q HA -0.034 4.308 4.340 0.004 0.000 0.201 376 Q C 2.165 178.191 176.000 0.042 0.000 0.972 376 Q CA 1.116 56.955 55.803 0.059 0.000 0.847 376 Q CB -0.069 28.714 28.738 0.075 0.000 0.903 376 Q HN 0.298 nan 8.270 nan 0.000 0.433 377 I N 0.593 121.188 120.570 0.043 0.000 2.202 377 I HA -0.258 3.915 4.170 0.004 0.000 0.242 377 I C 2.422 178.567 176.117 0.047 0.000 1.091 377 I CA 0.922 62.241 61.300 0.032 0.000 1.368 377 I CB -0.419 37.605 38.000 0.041 0.000 1.058 377 I HN 0.149 nan 8.210 nan 0.000 0.410 378 A N 0.779 123.632 122.820 0.056 0.000 1.940 378 A HA -0.257 4.066 4.320 0.004 0.000 0.219 378 A C 2.436 180.039 177.584 0.032 0.000 1.176 378 A CA 1.965 54.039 52.037 0.062 0.000 0.631 378 A CB -0.634 18.400 19.000 0.056 0.000 0.814 378 A HN 0.405 nan 8.150 nan 0.000 0.446 379 R N -0.986 119.526 120.500 0.020 0.000 2.062 379 R HA -0.012 4.330 4.340 0.004 0.000 0.226 379 R C 2.036 178.327 176.300 -0.015 0.000 1.125 379 R CA 1.340 57.441 56.100 0.002 0.000 0.966 379 R CB -0.419 29.888 30.300 0.013 0.000 0.861 379 R HN 0.385 nan 8.270 nan 0.000 0.433 380 L N 1.254 122.473 121.223 -0.007 0.000 2.127 380 L HA -0.120 4.223 4.340 0.004 0.000 0.211 380 L C 1.972 178.816 176.870 -0.043 0.000 1.089 380 L CA 2.453 57.279 54.840 -0.022 0.000 0.757 380 L CB -0.476 41.570 42.059 -0.022 0.000 0.899 380 L HN 0.460 nan 8.230 nan 0.000 0.434 381 T N -4.305 110.227 114.554 -0.036 0.000 3.107 381 T HA 0.031 4.384 4.350 0.004 0.000 0.249 381 T C 0.723 175.229 174.700 -0.323 0.000 1.096 381 T CA -0.102 61.954 62.100 -0.073 0.000 1.012 381 T CB -0.444 68.506 68.868 0.137 0.000 0.977 381 T HN 0.254 nan 8.240 nan 0.000 0.527 382 D N 2.608 122.876 120.400 -0.219 0.000 2.347 382 D HA 0.075 4.718 4.640 0.004 0.000 0.235 382 D C 1.316 177.493 176.300 -0.206 0.000 1.149 382 D CA -0.327 53.519 54.000 -0.258 0.000 0.850 382 D CB 1.294 42.026 40.800 -0.113 0.000 1.061 382 D HN 0.606 nan 8.370 nan 0.000 0.487 383 E N 3.347 123.397 120.200 -0.250 0.000 2.267 383 E HA -0.206 4.146 4.350 0.004 0.000 0.197 383 E C 1.035 177.584 176.600 -0.084 0.000 0.998 383 E CA 0.804 57.119 56.400 -0.141 0.000 0.830 383 E CB 0.076 29.705 29.700 -0.118 0.000 0.751 383 E HN 0.381 nan 8.360 nan 0.000 0.491 384 R N 0.037 120.489 120.500 -0.080 0.000 2.240 384 R HA 0.169 4.512 4.340 0.004 0.000 0.203 384 R C 1.804 178.077 176.300 -0.044 0.000 1.011 384 R CA 0.571 56.642 56.100 -0.049 0.000 1.007 384 R CB 0.172 30.449 30.300 -0.038 0.000 0.911 384 R HN 0.276 nan 8.270 nan 0.000 0.468 385 L N 0.223 121.415 121.223 -0.053 0.000 2.781 385 L HA 0.113 4.456 4.340 0.004 0.000 0.245 385 L C 0.637 177.485 176.870 -0.038 0.000 1.118 385 L CA -0.084 54.731 54.840 -0.040 0.000 0.918 385 L CB 0.150 42.188 42.059 -0.036 0.000 1.246 385 L HN 0.126 nan 8.230 nan 0.000 0.526 386 N N 0.943 119.614 118.700 -0.048 0.000 2.362 386 N HA -0.043 4.700 4.740 0.004 0.000 0.204 386 N C 0.021 175.512 175.510 -0.031 0.000 1.166 386 N CA -0.302 52.724 53.050 -0.040 0.000 0.831 386 N CB -0.182 38.273 38.487 -0.052 0.000 1.008 386 N HN 0.090 nan 8.380 nan 0.000 0.472 387 R N -0.523 119.960 120.500 -0.029 0.000 3.251 387 R HA -0.166 4.177 4.340 0.004 0.000 0.249 387 R C 0.776 177.063 176.300 -0.022 0.000 0.949 387 R CA 0.466 56.552 56.100 -0.024 0.000 0.645 387 R CB -2.243 28.045 30.300 -0.020 0.000 1.065 387 R HN 0.596 nan 8.270 nan 0.000 0.452 388 G N -1.021 107.765 108.800 -0.023 0.000 2.194 388 G HA2 -0.297 3.666 3.960 0.004 0.000 0.236 388 G HA3 -0.297 3.666 3.960 0.004 0.000 0.236 388 G C 0.246 175.134 174.900 -0.021 0.000 0.987 388 G CA 0.049 45.137 45.100 -0.019 0.000 0.635 388 G HN 0.257 nan 8.290 nan 0.000 0.520 389 L N 1.505 122.712 121.223 -0.027 0.000 2.418 389 L HA 0.442 4.784 4.340 0.004 0.000 0.265 389 L C -1.604 175.247 176.870 -0.031 0.000 1.143 389 L CA -2.074 52.749 54.840 -0.029 0.000 0.809 389 L CB 0.644 42.686 42.059 -0.028 0.000 1.124 389 L HN -0.093 nan 8.230 nan 0.000 0.456 390 P HA 0.046 nan 4.420 nan 0.000 0.268 390 P C -2.488 174.836 177.300 0.039 0.000 1.208 390 P CA -0.919 62.174 63.100 -0.012 0.000 0.777 390 P CB -0.213 31.370 31.700 -0.194 0.000 0.875 391 P HA -0.010 nan 4.420 nan 0.000 0.267 391 P C -0.243 177.107 177.300 0.084 0.000 1.209 391 P CA 0.342 63.389 63.100 -0.087 0.000 0.763 391 P CB -0.167 31.526 31.700 -0.011 0.000 0.816 392 F N 1.593 121.640 119.950 0.162 0.000 3.069 392 F HA -0.242 4.288 4.527 0.004 0.000 0.285 392 F C 1.284 177.253 175.800 0.283 0.000 0.827 392 F CA 0.343 58.462 58.000 0.198 0.000 1.108 392 F CB -2.635 36.472 39.000 0.180 0.000 1.252 392 F HN 0.272 nan 8.300 nan 0.000 0.483 393 L N -1.617 119.767 121.223 0.269 0.000 3.737 393 L HA -0.313 4.030 4.340 0.004 0.000 0.418 393 L C 1.307 178.334 176.870 0.263 0.000 1.216 393 L CA 1.035 56.011 54.840 0.225 0.000 0.915 393 L CB -1.945 40.252 42.059 0.230 0.000 1.834 393 L HN 0.694 nan 8.230 nan 0.000 0.943 394 H N 0.420 119.616 119.070 0.209 0.000 2.603 394 H HA 0.688 5.246 4.556 0.004 0.000 0.370 394 H C 0.244 175.630 175.328 0.098 0.000 1.225 394 H CA -0.488 55.643 56.048 0.139 0.000 1.410 394 H CB 0.931 30.764 29.762 0.118 0.000 1.495 394 H HN 0.300 nan 8.280 nan 0.000 0.602 395 R N -0.138 120.377 120.500 0.024 0.000 2.854 395 R HA 0.483 4.826 4.340 0.004 0.000 0.271 395 R C -0.398 175.999 176.300 0.161 0.000 0.994 395 R CA -0.254 55.834 56.100 -0.020 0.000 0.945 395 R CB 2.182 32.489 30.300 0.012 0.000 1.194 395 R HN 1.114 nan 8.270 nan 0.000 0.476 396 G N 1.496 110.366 108.800 0.117 0.000 2.757 396 G HA2 -0.174 3.788 3.960 0.004 0.000 0.638 396 G HA3 -0.174 3.788 3.960 0.004 0.000 0.638 396 G C -2.792 172.233 174.900 0.209 0.000 1.344 396 G CA -1.256 43.924 45.100 0.133 0.000 0.855 396 G HN 0.378 nan 8.290 nan 0.000 0.537 397 P HA 0.466 nan 4.420 nan 0.000 0.267 397 P C 0.413 177.738 177.300 0.042 0.000 1.205 397 P CA 0.766 63.929 63.100 0.104 0.000 0.765 397 P CB 0.792 32.520 31.700 0.047 0.000 0.828 398 A N 3.317 126.144 122.820 0.012 0.000 2.445 398 A HA 0.473 4.796 4.320 0.004 0.000 0.242 398 A C 1.575 179.054 177.584 -0.174 0.000 1.075 398 A CA 0.852 52.699 52.037 -0.318 0.000 0.777 398 A CB -1.004 17.913 19.000 -0.138 0.000 1.013 398 A HN 0.812 nan 8.150 nan 0.000 0.493 399 G N 0.432 109.110 108.800 -0.203 0.000 3.206 399 G HA2 -0.298 3.665 3.960 0.004 0.000 0.217 399 G HA3 -0.298 3.665 3.960 0.004 0.000 0.217 399 G C 1.071 175.921 174.900 -0.083 0.000 1.350 399 G CA 0.478 45.519 45.100 -0.098 0.000 0.836 399 G HN 0.868 nan 8.290 nan 0.000 0.548 400 L N 1.048 122.232 121.223 -0.067 0.000 2.201 400 L HA 0.146 4.489 4.340 0.004 0.000 0.212 400 L C 0.808 177.650 176.870 -0.047 0.000 1.105 400 L CA 0.907 55.722 54.840 -0.041 0.000 0.775 400 L CB -0.300 41.748 42.059 -0.018 0.000 0.913 400 L HN 0.319 nan 8.230 nan 0.000 0.440 401 N N -1.505 117.147 118.700 -0.079 0.000 2.238 401 N HA 0.228 4.971 4.740 0.004 0.000 0.302 401 N C -0.147 175.289 175.510 -0.123 0.000 1.072 401 N CA -0.153 52.862 53.050 -0.058 0.000 0.792 401 N CB 2.177 40.692 38.487 0.047 0.000 1.425 401 N HN -0.241 nan 8.380 nan 0.000 0.478 402 S N -0.089 115.580 115.700 -0.053 0.000 2.666 402 S HA 0.268 4.741 4.470 0.004 0.000 0.239 402 S C 1.207 175.853 174.600 0.076 0.000 1.031 402 S CA 0.046 58.228 58.200 -0.030 0.000 1.015 402 S CB 0.601 63.733 63.200 -0.112 0.000 0.981 402 S HN 0.938 nan 8.310 nan 0.000 0.547 403 G N 2.518 111.361 108.800 0.072 0.000 2.629 403 G HA2 -0.348 3.615 3.960 0.004 0.000 0.313 403 G HA3 -0.348 3.615 3.960 0.004 0.000 0.313 403 G C 0.231 175.043 174.900 -0.147 0.000 1.217 403 G CA 0.821 45.934 45.100 0.021 0.000 0.994 403 G HN 0.463 nan 8.290 nan 0.000 0.549 404 F N 1.374 121.409 119.950 0.142 0.000 2.664 404 F HA 0.469 4.999 4.527 0.004 0.000 0.301 404 F C 2.394 178.221 175.800 0.044 0.000 1.126 404 F CA 0.899 58.956 58.000 0.095 0.000 1.373 404 F CB 0.138 39.211 39.000 0.121 0.000 1.042 404 F HN 0.326 nan 8.300 nan 0.000 0.535 405 M N 0.030 119.628 119.600 -0.003 0.000 2.108 405 M HA -0.138 4.344 4.480 0.004 0.000 0.261 405 M C 2.404 178.567 176.300 -0.229 0.000 1.066 405 M CA 2.248 57.272 55.300 -0.461 0.000 1.107 405 M CB -0.464 31.608 32.600 -0.879 0.000 1.356 405 M HN 0.323 nan 8.290 nan 0.000 0.406 406 G N -0.846 107.878 108.800 -0.126 0.000 2.394 406 G HA2 -0.103 3.860 3.960 0.004 0.000 0.215 406 G HA3 -0.103 3.860 3.960 0.004 0.000 0.215 406 G C 1.482 176.381 174.900 -0.002 0.000 1.165 406 G CA 0.737 45.794 45.100 -0.072 0.000 0.784 406 G HN 0.615 nan 8.290 nan 0.000 0.535 407 A N -0.014 122.841 122.820 0.058 0.000 1.978 407 A HA -0.103 4.219 4.320 0.004 0.000 0.220 407 A C 2.266 179.916 177.584 0.109 0.000 1.170 407 A CA 2.034 54.139 52.037 0.113 0.000 0.636 407 A CB -0.401 18.746 19.000 0.244 0.000 0.810 407 A HN 0.393 nan 8.150 nan 0.000 0.448 408 Q N 0.051 119.927 119.800 0.127 0.000 2.079 408 Q HA -0.115 4.228 4.340 0.004 0.000 0.200 408 Q C 2.085 178.132 176.000 0.078 0.000 0.974 408 Q CA 2.007 57.884 55.803 0.125 0.000 0.840 408 Q CB -0.265 28.595 28.738 0.203 0.000 0.898 408 Q HN 0.435 nan 8.270 nan 0.000 0.430 409 V N 0.557 120.496 119.914 0.042 0.000 2.427 409 V HA -0.201 3.921 4.120 0.004 0.000 0.248 409 V C 2.361 178.471 176.094 0.027 0.000 1.051 409 V CA 2.004 64.319 62.300 0.025 0.000 1.048 409 V CB -0.832 30.986 31.823 -0.008 0.000 0.666 409 V HN 0.375 nan 8.190 nan 0.000 0.456 410 T N 0.487 115.058 114.554 0.028 0.000 2.720 410 T HA -0.185 4.167 4.350 0.004 0.000 0.268 410 T C 2.072 176.794 174.700 0.036 0.000 1.037 410 T CA 1.661 63.778 62.100 0.028 0.000 1.144 410 T CB -0.388 68.496 68.868 0.028 0.000 0.864 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.176 124.024 122.820 0.046 0.000 1.902 411 A HA -0.135 4.188 4.320 0.004 0.000 0.217 411 A C 2.554 180.167 177.584 0.048 0.000 1.181 411 A CA 2.124 54.191 52.037 0.050 0.000 0.623 411 A CB -1.209 17.826 19.000 0.057 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.443 412 T N 0.293 114.874 114.554 0.045 0.000 2.746 412 T HA -0.010 4.343 4.350 0.004 0.000 0.267 412 T C 2.226 176.945 174.700 0.031 0.000 1.039 412 T CA 1.543 63.666 62.100 0.039 0.000 1.142 412 T CB -0.456 68.435 68.868 0.039 0.000 0.866 412 T HN 0.603 nan 8.240 nan 0.000 0.444 413 A N 1.277 124.114 122.820 0.028 0.000 1.902 413 A HA -0.000 4.323 4.320 0.004 0.000 0.217 413 A C 2.301 179.900 177.584 0.025 0.000 1.181 413 A CA 1.212 53.262 52.037 0.023 0.000 0.623 413 A CB -0.842 18.169 19.000 0.018 0.000 0.818 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 L N -1.199 120.043 121.223 0.032 0.000 2.056 414 L HA -0.154 4.189 4.340 0.004 0.000 0.207 414 L C 2.560 179.453 176.870 0.038 0.000 1.078 414 L CA 1.152 56.014 54.840 0.037 0.000 0.749 414 L CB -0.544 41.542 42.059 0.046 0.000 0.901 414 L HN 0.472 nan 8.230 nan 0.000 0.433 415 L N 0.294 121.539 121.223 0.038 0.000 2.027 415 L HA -0.115 4.228 4.340 0.004 0.000 0.206 415 L C 2.651 179.531 176.870 0.018 0.000 1.074 415 L CA 1.966 56.822 54.840 0.028 0.000 0.745 415 L CB -0.699 41.376 42.059 0.027 0.000 0.898 415 L HN 0.130 nan 8.230 nan 0.000 0.433 416 A N -0.801 122.030 122.820 0.019 0.000 1.940 416 A HA -0.290 4.033 4.320 0.004 0.000 0.219 416 A C 2.332 179.924 177.584 0.014 0.000 1.176 416 A CA 1.920 53.966 52.037 0.014 0.000 0.631 416 A CB -0.760 18.249 19.000 0.015 0.000 0.814 416 A HN 0.646 nan 8.150 nan 0.000 0.446 417 E N -0.635 119.576 120.200 0.017 0.000 2.072 417 E HA -0.181 4.172 4.350 0.004 0.000 0.191 417 E C 2.042 178.653 176.600 0.018 0.000 0.985 417 E CA 1.295 57.706 56.400 0.018 0.000 0.801 417 E CB -0.208 29.504 29.700 0.021 0.000 0.750 417 E HN 0.674 nan 8.360 nan 0.000 0.452 418 M N 0.037 119.649 119.600 0.019 0.000 2.108 418 M HA -0.178 4.304 4.480 0.004 0.000 0.261 418 M C 2.311 178.616 176.300 0.008 0.000 1.066 418 M CA 1.570 56.880 55.300 0.016 0.000 1.107 418 M CB -0.214 32.393 32.600 0.011 0.000 1.356 418 M HN 0.022 nan 8.290 nan 0.000 0.406 419 R N 0.101 120.603 120.500 0.004 0.000 2.189 419 R HA -0.025 4.317 4.340 0.004 0.000 0.223 419 R C 2.185 178.490 176.300 0.009 0.000 1.092 419 R CA 1.084 57.185 56.100 0.002 0.000 0.989 419 R CB -0.433 29.867 30.300 -0.000 0.000 0.876 419 R HN 0.376 nan 8.270 nan 0.000 0.457 420 A N 0.568 123.395 122.820 0.012 0.000 2.066 420 A HA -0.023 4.299 4.320 0.004 0.000 0.218 420 A C 0.777 178.372 177.584 0.019 0.000 1.157 420 A CA 0.867 52.912 52.037 0.014 0.000 0.670 420 A CB 0.112 19.120 19.000 0.012 0.000 0.804 420 A HN 0.097 nan 8.150 nan 0.000 0.453 421 T N 0.146 114.713 114.554 0.021 0.000 2.771 421 T HA 0.550 4.903 4.350 0.004 0.000 0.281 421 T C 0.462 175.184 174.700 0.037 0.000 0.982 421 T CA 0.053 62.170 62.100 0.029 0.000 0.978 421 T CB 1.531 70.415 68.868 0.027 0.000 0.930 421 T HN 0.364 nan 8.240 nan 0.000 0.447 422 G N 3.022 111.856 108.800 0.058 0.000 2.828 422 G HA2 0.669 4.632 3.960 0.004 0.000 0.244 422 G HA3 0.669 4.632 3.960 0.004 0.000 0.244 422 G C -2.644 172.303 174.900 0.078 0.000 1.365 422 G CA -1.588 43.549 45.100 0.062 0.000 1.041 422 G HN 0.436 nan 8.290 nan 0.000 0.560 423 P HA 0.270 nan 4.420 nan 0.000 0.266 423 P C 0.319 177.681 177.300 0.104 0.000 1.195 423 P CA 0.331 63.466 63.100 0.058 0.000 0.768 423 P CB 1.366 33.077 31.700 0.017 0.000 0.838 424 A N 1.987 124.871 122.820 0.107 0.000 1.984 424 A HA -0.041 4.281 4.320 0.004 0.000 0.214 424 A C 2.060 179.715 177.584 0.119 0.000 1.173 424 A CA 1.021 53.160 52.037 0.170 0.000 0.673 424 A CB -1.025 18.044 19.000 0.114 0.000 0.830 424 A HN 0.474 nan 8.150 nan 0.000 0.453 425 S N 0.605 116.330 115.700 0.042 0.000 2.420 425 S HA -0.187 4.286 4.470 0.004 0.000 0.237 425 S C 1.680 176.248 174.600 -0.053 0.000 1.023 425 S CA 1.591 59.795 58.200 0.007 0.000 0.991 425 S CB -0.695 62.508 63.200 0.006 0.000 0.792 425 S HN 0.796 nan 8.310 nan 0.000 0.488 426 I N -1.378 119.088 120.570 -0.174 0.000 3.444 426 I HA 0.062 4.235 4.170 0.004 0.000 0.287 426 I C 0.667 176.567 176.117 -0.361 0.000 1.302 426 I CA 0.933 62.065 61.300 -0.280 0.000 1.368 426 I CB -0.338 37.448 38.000 -0.356 0.000 1.048 426 I HN 0.158 nan 8.210 nan 0.000 0.487 427 H N 1.254 120.335 119.070 0.018 0.000 2.550 427 H HA 0.318 4.877 4.556 0.005 0.000 0.304 427 H C 0.592 175.932 175.328 0.020 0.000 1.086 427 H CA -0.234 55.824 56.048 0.018 0.000 1.089 427 H CB 0.104 29.877 29.762 0.018 0.000 1.528 427 H HN 0.296 nan 8.280 nan 0.000 0.539 428 S N 1.223 116.969 115.700 0.077 0.000 2.549 428 S HA 0.218 4.690 4.470 0.004 0.000 0.286 428 S C 0.278 174.916 174.600 0.064 0.000 1.314 428 S CA -0.228 58.010 58.200 0.064 0.000 1.062 428 S CB 0.025 63.248 63.200 0.039 0.000 0.865 428 S HN 0.301 nan 8.310 nan 0.000 0.498 429 I N 3.301 123.907 120.570 0.060 0.000 2.533 429 I HA 0.218 4.391 4.170 0.004 0.000 0.290 429 I C 0.049 176.192 176.117 0.043 0.000 1.056 429 I CA -0.645 60.685 61.300 0.050 0.000 1.057 429 I CB 2.141 40.171 38.000 0.050 0.000 1.240 429 I HN 0.572 nan 8.210 nan 0.000 0.423 430 S N 3.943 119.666 115.700 0.038 0.000 2.525 430 S HA 0.264 4.737 4.470 0.004 0.000 0.285 430 S C -0.206 174.414 174.600 0.035 0.000 1.283 430 S CA 0.434 58.656 58.200 0.036 0.000 1.072 430 S CB 0.265 63.483 63.200 0.031 0.000 0.867 430 S HN 0.772 nan 8.310 nan 0.000 0.492 431 T N 3.099 117.675 114.554 0.037 0.000 2.681 431 T HA 0.419 4.771 4.350 0.004 0.000 0.296 431 T C -0.366 174.356 174.700 0.036 0.000 1.157 431 T CA -0.116 62.005 62.100 0.035 0.000 1.025 431 T CB 0.808 69.697 68.868 0.036 0.000 1.441 431 T HN 0.910 nan 8.240 nan 0.000 0.504 432 N N 0.583 119.305 118.700 0.036 0.000 2.756 432 N HA -0.214 4.528 4.740 0.004 0.000 0.248 432 N C 0.273 175.805 175.510 0.036 0.000 1.062 432 N CA 0.778 53.851 53.050 0.039 0.000 0.696 432 N CB -1.183 37.331 38.487 0.045 0.000 0.946 432 N HN 1.560 nan 8.380 nan 0.000 0.548 433 A N -0.729 122.109 122.820 0.030 0.000 2.822 433 A HA 0.010 4.333 4.320 0.004 0.000 0.287 433 A C 1.322 178.923 177.584 0.028 0.000 1.479 433 A CA 2.055 54.108 52.037 0.027 0.000 0.779 433 A CB -2.293 16.722 19.000 0.025 0.000 1.022 433 A HN 2.243 nan 8.150 nan 0.000 0.532 434 A N -2.441 120.397 122.820 0.030 0.000 3.396 434 A HA -0.361 3.962 4.320 0.004 0.000 0.267 434 A C 1.397 179.002 177.584 0.035 0.000 1.139 434 A CA 2.023 54.078 52.037 0.030 0.000 1.115 434 A CB -2.534 16.481 19.000 0.026 0.000 1.133 434 A HN 2.206 nan 8.150 nan 0.000 0.920 435 N N 0.046 118.769 118.700 0.040 0.000 2.142 435 N HA -0.097 4.646 4.740 0.004 0.000 0.186 435 N C 0.990 176.531 175.510 0.052 0.000 1.023 435 N CA 1.876 54.954 53.050 0.046 0.000 0.852 435 N CB -0.168 38.350 38.487 0.053 0.000 0.998 435 N HN 0.752 nan 8.380 nan 0.000 0.424 436 Q N 0.583 120.414 119.800 0.051 0.000 3.091 436 Q HA 0.060 4.403 4.340 0.004 0.000 0.301 436 Q C -0.402 175.630 176.000 0.053 0.000 1.337 436 Q CA -0.267 55.572 55.803 0.059 0.000 1.083 436 Q CB 0.518 29.287 28.738 0.052 0.000 1.477 436 Q HN 0.517 nan 8.270 nan 0.000 0.537 437 D N -0.463 119.966 120.400 0.049 0.000 2.348 437 D HA -0.079 4.563 4.640 0.004 0.000 0.216 437 D C 0.672 176.997 176.300 0.041 0.000 0.970 437 D CA 0.416 54.441 54.000 0.040 0.000 0.889 437 D CB 0.096 40.916 40.800 0.033 0.000 0.912 437 D HN 0.206 nan 8.370 nan 0.000 0.524 438 V N -1.642 118.301 119.914 0.049 0.000 2.760 438 V HA 0.752 4.875 4.120 0.004 0.000 0.309 438 V C -0.374 175.758 176.094 0.062 0.000 1.077 438 V CA -1.215 61.113 62.300 0.047 0.000 0.910 438 V CB 1.849 33.694 31.823 0.037 0.000 1.008 438 V HN 0.101 nan 8.190 nan 0.000 0.424 439 V N 1.046 120.996 119.914 0.059 0.000 2.962 439 V HA 0.775 4.898 4.120 0.004 0.000 0.313 439 V C 1.043 177.175 176.094 0.062 0.000 1.099 439 V CA 0.269 62.611 62.300 0.071 0.000 0.971 439 V CB 1.472 33.335 31.823 0.065 0.000 1.028 439 V HN 1.277 nan 8.190 nan 0.000 0.430 440 S N 2.373 118.114 115.700 0.069 0.000 2.425 440 S HA 0.096 4.569 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 1.079 59.312 58.200 0.055 0.000 0.951 440 S CB -0.854 62.382 63.200 0.060 0.000 0.796 440 S HN 1.386 nan 8.310 nan 0.000 0.498 441 L N 0.396 121.655 121.223 0.059 0.000 4.040 441 L HA -0.197 4.146 4.340 0.004 0.000 0.410 441 L C 1.501 178.404 176.870 0.054 0.000 1.187 441 L CA 0.028 54.904 54.840 0.059 0.000 0.956 441 L CB -2.269 39.834 42.059 0.073 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.390 108.440 108.800 0.050 0.000 2.432 442 G HA2 -0.195 3.767 3.960 0.004 0.000 0.219 442 G HA3 -0.195 3.767 3.960 0.004 0.000 0.219 442 G C 1.282 176.208 174.900 0.043 0.000 1.135 442 G CA 1.365 46.492 45.100 0.044 0.000 0.767 442 G HN 0.482 nan 8.290 nan 0.000 0.550 443 T N 1.256 115.835 114.554 0.041 0.000 2.777 443 T HA -0.006 4.347 4.350 0.004 0.000 0.266 443 T C 2.375 177.098 174.700 0.039 0.000 1.040 443 T CA 0.879 63.001 62.100 0.036 0.000 1.141 443 T CB -0.108 68.777 68.868 0.030 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.674 122.270 120.570 0.042 0.000 2.226 444 I HA -0.149 4.023 4.170 0.004 0.000 0.245 444 I C 3.038 179.186 176.117 0.052 0.000 1.100 444 I CA 1.072 62.398 61.300 0.044 0.000 1.374 444 I CB -0.559 37.470 38.000 0.048 0.000 1.057 444 I HN 0.211 nan 8.210 nan 0.000 0.413 445 A N 0.858 123.712 122.820 0.057 0.000 1.883 445 A HA -0.226 4.097 4.320 0.004 0.000 0.217 445 A C 2.537 180.159 177.584 0.063 0.000 1.186 445 A CA 2.134 54.208 52.037 0.062 0.000 0.624 445 A CB -0.928 18.108 19.000 0.059 0.000 0.822 445 A HN 0.444 nan 8.150 nan 0.000 0.444 446 A N -0.560 122.298 122.820 0.063 0.000 1.930 446 A HA -0.127 4.195 4.320 0.004 0.000 0.217 446 A C 2.244 179.868 177.584 0.066 0.000 1.175 446 A CA 1.465 53.547 52.037 0.074 0.000 0.627 446 A CB -0.418 18.624 19.000 0.070 0.000 0.815 446 A HN 0.556 nan 8.150 nan 0.000 0.443 447 R N -0.551 119.982 120.500 0.054 0.000 2.092 447 R HA 0.033 4.376 4.340 0.004 0.000 0.231 447 R C 1.968 178.298 176.300 0.050 0.000 1.119 447 R CA 1.265 57.394 56.100 0.049 0.000 0.970 447 R CB -0.429 29.894 30.300 0.038 0.000 0.864 447 R HN 0.494 nan 8.270 nan 0.000 0.440 448 L N -0.258 120.994 121.223 0.049 0.000 2.093 448 L HA -0.206 4.137 4.340 0.004 0.000 0.208 448 L C 2.737 179.637 176.870 0.050 0.000 1.085 448 L CA 0.723 55.592 54.840 0.047 0.000 0.755 448 L CB -0.494 41.594 42.059 0.048 0.000 0.904 448 L HN 0.373 nan 8.230 nan 0.000 0.435 449 C N 0.368 119.701 119.300 0.055 0.000 2.446 449 C HA -0.151 4.312 4.460 0.004 0.000 0.277 449 C C 3.096 178.125 174.990 0.066 0.000 1.275 449 C CA 0.854 59.904 59.018 0.053 0.000 1.727 449 C CB -0.535 27.237 27.740 0.053 0.000 2.010 449 C HN 0.496 nan 8.230 nan 0.000 0.486 450 R N 1.278 121.820 120.500 0.070 0.000 2.081 450 R HA -0.078 4.265 4.340 0.004 0.000 0.235 450 R C 2.094 178.442 176.300 0.080 0.000 1.131 450 R CA 1.969 58.117 56.100 0.080 0.000 0.960 450 R CB -0.807 29.538 30.300 0.076 0.000 0.856 450 R HN 0.542 nan 8.270 nan 0.000 0.436 451 E N 0.702 120.942 120.200 0.066 0.000 2.077 451 E HA -0.171 4.182 4.350 0.004 0.000 0.193 451 E C 1.841 178.486 176.600 0.074 0.000 0.989 451 E CA 1.336 57.773 56.400 0.062 0.000 0.800 451 E CB -0.104 29.625 29.700 0.048 0.000 0.746 451 E HN 0.429 nan 8.360 nan 0.000 0.452 452 K N 0.349 120.793 120.400 0.073 0.000 2.097 452 K HA -0.027 4.296 4.320 0.004 0.000 0.205 452 K C 2.298 178.987 176.600 0.149 0.000 1.050 452 K CA 0.768 57.103 56.287 0.081 0.000 0.938 452 K CB -0.118 32.407 32.500 0.042 0.000 0.718 452 K HN 0.087 nan 8.250 nan 0.000 0.442 453 I N 1.466 122.137 120.570 0.167 0.000 2.226 453 I HA -0.287 3.886 4.170 0.004 0.000 0.245 453 I C 1.583 177.821 176.117 0.202 0.000 1.100 453 I CA 1.179 62.633 61.300 0.257 0.000 1.374 453 I CB -0.245 37.872 38.000 0.196 0.000 1.057 453 I HN 0.156 nan 8.210 nan 0.000 0.413 454 D N 0.540 121.017 120.400 0.129 0.000 2.144 454 D HA -0.124 4.518 4.640 0.004 0.000 0.200 454 D C 2.331 178.686 176.300 0.091 0.000 0.978 454 D CA 0.898 54.949 54.000 0.086 0.000 0.833 454 D CB -0.202 40.638 40.800 0.066 0.000 0.961 454 D HN 0.186 nan 8.370 nan 0.000 0.470 455 R N -0.048 120.522 120.500 0.117 0.000 2.092 455 R HA -0.113 4.229 4.340 0.004 0.000 0.231 455 R C 2.124 178.533 176.300 0.181 0.000 1.119 455 R CA 0.447 56.615 56.100 0.114 0.000 0.970 455 R CB -1.038 29.320 30.300 0.098 0.000 0.864 455 R HN 0.342 nan 8.270 nan 0.000 0.440 456 W N 1.912 123.214 121.300 0.003 0.000 2.358 456 W HA -0.096 4.566 4.660 0.004 0.000 0.303 456 W C 2.093 178.604 176.519 -0.013 0.000 1.208 456 W CA 1.404 58.751 57.345 0.003 0.000 1.274 456 W CB -0.609 28.860 29.460 0.015 0.000 1.138 456 W HN 0.138 nan 8.180 nan 0.000 0.515 457 A N 0.115 122.931 122.820 -0.006 0.000 1.933 457 A HA -0.221 4.101 4.320 0.004 0.000 0.218 457 A C 1.865 179.364 177.584 -0.142 0.000 1.175 457 A CA 1.958 53.881 52.037 -0.190 0.000 0.628 457 A CB -0.756 18.158 19.000 -0.143 0.000 0.814 457 A HN 0.447 nan 8.150 nan 0.000 0.444 458 E N -0.358 119.816 120.200 -0.044 0.000 2.106 458 E HA -0.097 4.256 4.350 0.004 0.000 0.192 458 E C 1.831 178.415 176.600 -0.026 0.000 0.984 458 E CA 1.114 57.491 56.400 -0.039 0.000 0.806 458 E CB -0.241 29.460 29.700 0.001 0.000 0.750 458 E HN 0.698 nan 8.360 nan 0.000 0.458 459 I N 0.786 121.376 120.570 0.033 0.000 2.252 459 I HA -0.271 3.902 4.170 0.004 0.000 0.245 459 I C 2.208 178.335 176.117 0.018 0.000 1.102 459 I CA 0.966 62.303 61.300 0.062 0.000 1.385 459 I CB -0.136 37.956 38.000 0.154 0.000 1.064 459 I HN 0.115 nan 8.210 nan 0.000 0.414 460 L N 0.393 121.597 121.223 -0.032 0.000 2.083 460 L HA -0.192 4.151 4.340 0.004 0.000 0.209 460 L C 2.819 179.581 176.870 -0.179 0.000 1.083 460 L CA 1.207 55.984 54.840 -0.105 0.000 0.752 460 L CB -0.649 41.256 42.059 -0.257 0.000 0.899 460 L HN 0.243 nan 8.230 nan 0.000 0.433 461 A N 0.320 123.005 122.820 -0.225 0.000 1.902 461 A HA -0.187 4.135 4.320 0.004 0.000 0.217 461 A C 2.203 179.668 177.584 -0.198 0.000 1.181 461 A CA 1.538 53.409 52.037 -0.277 0.000 0.623 461 A CB -0.628 18.219 19.000 -0.255 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 I N -0.872 119.630 120.570 -0.113 0.000 2.226 462 I HA -0.222 3.951 4.170 0.004 0.000 0.245 462 I C 2.414 178.467 176.117 -0.107 0.000 1.100 462 I CA 1.169 62.430 61.300 -0.066 0.000 1.374 462 I CB -0.265 37.733 38.000 -0.003 0.000 1.057 462 I HN 0.392 nan 8.210 nan 0.000 0.413 463 L N 1.204 122.379 121.223 -0.080 0.000 2.083 463 L HA -0.143 4.200 4.340 0.004 0.000 0.209 463 L C 2.520 179.334 176.870 -0.093 0.000 1.083 463 L CA 2.095 56.893 54.840 -0.070 0.000 0.752 463 L CB -0.790 41.268 42.059 -0.002 0.000 0.899 463 L HN 0.182 nan 8.230 nan 0.000 0.433 464 A N -0.558 122.202 122.820 -0.099 0.000 1.902 464 A HA -0.145 4.178 4.320 0.004 0.000 0.217 464 A C 2.253 179.766 177.584 -0.118 0.000 1.181 464 A CA 1.900 53.893 52.037 -0.073 0.000 0.623 464 A CB -0.856 18.066 19.000 -0.131 0.000 0.818 464 A HN 0.494 nan 8.150 nan 0.000 0.443 465 L N -0.911 120.203 121.223 -0.181 0.000 2.093 465 L HA -0.230 4.112 4.340 0.004 0.000 0.208 465 L C 2.701 179.364 176.870 -0.344 0.000 1.085 465 L CA 1.106 55.855 54.840 -0.152 0.000 0.755 465 L CB -0.674 41.364 42.059 -0.036 0.000 0.904 465 L HN 0.484 nan 8.230 nan 0.000 0.435 466 C N -0.206 118.755 119.300 -0.565 0.000 2.429 466 C HA -0.132 4.331 4.460 0.004 0.000 0.277 466 C C 2.743 177.516 174.990 -0.361 0.000 1.262 466 C CA 0.481 59.017 59.018 -0.805 0.000 1.733 466 C CB -0.711 26.695 27.740 -0.557 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.891 122.002 121.223 -0.187 0.000 2.093 467 L HA -0.123 4.219 4.340 0.004 0.000 0.208 467 L C 2.846 179.696 176.870 -0.033 0.000 1.085 467 L CA 1.412 56.208 54.840 -0.073 0.000 0.755 467 L CB -0.672 41.379 42.059 -0.013 0.000 0.904 467 L HN 0.336 nan 8.230 nan 0.000 0.435 468 A N -0.292 122.514 122.820 -0.025 0.000 1.902 468 A HA -0.298 4.025 4.320 0.004 0.000 0.217 468 A C 2.216 179.822 177.584 0.037 0.000 1.181 468 A CA 2.009 54.064 52.037 0.029 0.000 0.623 468 A CB -0.515 18.520 19.000 0.058 0.000 0.818 468 A HN 0.428 nan 8.150 nan 0.000 0.443 469 Q N -0.413 119.403 119.800 0.027 0.000 2.046 469 Q HA 0.002 4.345 4.340 0.004 0.000 0.200 469 Q C 2.082 178.105 176.000 0.038 0.000 0.975 469 Q CA 2.019 57.870 55.803 0.081 0.000 0.836 469 Q CB -0.498 28.361 28.738 0.201 0.000 0.896 469 Q HN 0.545 nan 8.270 nan 0.000 0.428 470 A N 0.446 123.258 122.820 -0.012 0.000 1.933 470 A HA -0.105 4.217 4.320 0.004 0.000 0.218 470 A C 2.297 179.884 177.584 0.005 0.000 1.175 470 A CA 1.799 53.830 52.037 -0.010 0.000 0.628 470 A CB -1.199 17.780 19.000 -0.033 0.000 0.814 470 A HN 0.553 nan 8.150 nan 0.000 0.444 471 A N -0.146 122.681 122.820 0.012 0.000 1.902 471 A HA -0.179 4.144 4.320 0.004 0.000 0.217 471 A C 1.917 179.515 177.584 0.023 0.000 1.181 471 A CA 1.677 53.726 52.037 0.021 0.000 0.623 471 A CB -0.488 18.530 19.000 0.029 0.000 0.818 471 A HN 0.655 nan 8.150 nan 0.000 0.443 472 E N -0.304 119.914 120.200 0.029 0.000 2.152 472 E HA -0.044 4.309 4.350 0.004 0.000 0.192 472 E C 1.902 178.514 176.600 0.021 0.000 0.983 472 E CA 0.776 57.194 56.400 0.030 0.000 0.818 472 E CB -0.218 29.506 29.700 0.041 0.000 0.758 472 E HN 0.607 nan 8.360 nan 0.000 0.467 473 L N 0.471 121.705 121.223 0.017 0.000 2.093 473 L HA -0.138 4.205 4.340 0.004 0.000 0.208 473 L C 2.632 179.502 176.870 0.000 0.000 1.085 473 L CA 0.910 55.753 54.840 0.004 0.000 0.755 473 L CB -0.142 41.915 42.059 -0.003 0.000 0.904 473 L HN 0.013 nan 8.230 nan 0.000 0.435 474 R N -0.301 120.201 120.500 0.003 0.000 2.075 474 R HA -0.046 4.297 4.340 0.004 0.000 0.226 474 R C 1.802 178.106 176.300 0.006 0.000 1.114 474 R CA 1.620 57.722 56.100 0.002 0.000 0.972 474 R CB -0.372 29.930 30.300 0.003 0.000 0.869 474 R HN 0.351 nan 8.270 nan 0.000 0.437 475 C N -0.007 119.299 119.300 0.010 0.000 3.183 475 C HA 0.654 5.117 4.460 0.004 0.000 0.285 475 C C 0.622 175.620 174.990 0.013 0.000 1.313 475 C CA -0.305 58.721 59.018 0.012 0.000 1.711 475 C CB -0.695 27.055 27.740 0.016 0.000 2.135 475 C HN 0.731 nan 8.230 nan 0.000 0.651 476 G N 1.678 110.486 108.800 0.013 0.000 2.730 476 G HA2 -0.135 3.827 3.960 0.004 0.000 0.686 476 G HA3 -0.135 3.827 3.960 0.004 0.000 0.686 476 G C 0.699 175.611 174.900 0.019 0.000 1.343 476 G CA 0.078 45.187 45.100 0.014 0.000 0.826 476 G HN 0.766 nan 8.290 nan 0.000 0.582 477 S N -0.605 115.107 115.700 0.020 0.000 2.419 477 S HA 0.020 4.493 4.470 0.004 0.000 0.235 477 S C 2.394 177.008 174.600 0.023 0.000 1.019 477 S CA 1.973 60.188 58.200 0.024 0.000 0.982 477 S CB -0.243 62.971 63.200 0.023 0.000 0.789 477 S HN 2.198 nan 8.310 nan 0.000 0.490 478 G N 0.807 109.619 108.800 0.020 0.000 2.920 478 G HA2 0.354 4.316 3.960 0.004 0.000 0.208 478 G HA3 0.354 4.316 3.960 0.004 0.000 0.208 478 G C 0.530 175.442 174.900 0.020 0.000 1.159 478 G CA -0.083 45.028 45.100 0.019 0.000 0.784 478 G HN 0.612 nan 8.290 nan 0.000 0.535 479 L N 0.958 122.194 121.223 0.021 0.000 3.677 479 L HA -0.146 4.197 4.340 0.004 0.000 0.464 479 L C -0.866 176.016 176.870 0.019 0.000 1.278 479 L CA -0.094 54.759 54.840 0.022 0.000 0.806 479 L CB -1.675 40.400 42.059 0.026 0.000 1.610 479 L HN 0.225 nan 8.230 nan 0.000 0.867 480 D N 1.436 121.846 120.400 0.017 0.000 2.450 480 D HA 0.290 4.933 4.640 0.004 0.000 0.247 480 D C 1.355 177.664 176.300 0.015 0.000 1.162 480 D CA 1.338 55.346 54.000 0.015 0.000 0.879 480 D CB 1.352 42.159 40.800 0.012 0.000 1.163 480 D HN 0.555 nan 8.370 nan 0.000 0.472 481 G N 1.512 110.321 108.800 0.015 0.000 2.217 481 G HA2 -0.278 3.685 3.960 0.004 0.000 0.246 481 G HA3 -0.278 3.685 3.960 0.004 0.000 0.246 481 G C 0.457 175.368 174.900 0.019 0.000 0.990 481 G CA 0.017 45.127 45.100 0.016 0.000 0.627 481 G HN 0.515 nan 8.290 nan 0.000 0.522 482 V N 2.673 122.600 119.914 0.021 0.000 2.715 482 V HA 0.492 4.614 4.120 0.004 0.000 0.299 482 V C 1.507 177.616 176.094 0.025 0.000 1.054 482 V CA 0.182 62.497 62.300 0.026 0.000 1.077 482 V CB 1.377 33.217 31.823 0.028 0.000 0.972 482 V HN 1.093 nan 8.190 nan 0.000 0.484 483 S N 5.030 120.747 115.700 0.030 0.000 2.569 483 S HA 0.109 4.582 4.470 0.004 0.000 0.274 483 S C -1.699 172.914 174.600 0.022 0.000 1.353 483 S CA -0.572 57.645 58.200 0.027 0.000 1.023 483 S CB 0.440 63.662 63.200 0.036 0.000 0.876 483 S HN 0.583 nan 8.310 nan 0.000 0.540 484 P HA -0.045 nan 4.420 nan 0.000 0.215 484 P C 1.627 178.932 177.300 0.009 0.000 1.153 484 P CA 1.928 65.035 63.100 0.012 0.000 0.853 484 P CB -0.239 31.466 31.700 0.009 0.000 0.788 485 A N -0.294 122.530 122.820 0.005 0.000 1.898 485 A HA -0.059 4.264 4.320 0.004 0.000 0.216 485 A C 2.472 180.056 177.584 -0.001 0.000 1.181 485 A CA 2.011 54.044 52.037 -0.007 0.000 0.620 485 A CB -1.851 17.140 19.000 -0.016 0.000 0.819 485 A HN 0.272 nan 8.150 nan 0.000 0.442 486 G N -0.346 108.464 108.800 0.016 0.000 2.418 486 G HA2 -0.213 3.750 3.960 0.004 0.000 0.217 486 G HA3 -0.213 3.750 3.960 0.004 0.000 0.217 486 G C 1.683 176.602 174.900 0.032 0.000 1.158 486 G CA 1.073 46.190 45.100 0.028 0.000 0.771 486 G HN 0.560 nan 8.290 nan 0.000 0.545 487 K N 0.174 120.591 120.400 0.028 0.000 2.057 487 K HA -0.057 4.266 4.320 0.004 0.000 0.207 487 K C 2.444 179.063 176.600 0.032 0.000 1.049 487 K CA 1.306 57.611 56.287 0.030 0.000 0.931 487 K CB -0.134 32.380 32.500 0.024 0.000 0.714 487 K HN 0.243 nan 8.250 nan 0.000 0.440 488 K N 1.341 121.755 120.400 0.024 0.000 2.097 488 K HA -0.125 4.198 4.320 0.004 0.000 0.206 488 K C 2.145 178.769 176.600 0.039 0.000 1.049 488 K CA 0.907 57.208 56.287 0.024 0.000 0.933 488 K CB -0.059 32.446 32.500 0.008 0.000 0.717 488 K HN 0.099 nan 8.250 nan 0.000 0.442 489 L N 0.553 121.797 121.223 0.035 0.000 2.027 489 L HA -0.166 4.176 4.340 0.004 0.000 0.206 489 L C 2.044 178.983 176.870 0.114 0.000 1.074 489 L CA 1.115 55.996 54.840 0.068 0.000 0.745 489 L CB -0.148 41.936 42.059 0.041 0.000 0.898 489 L HN 0.011 nan 8.230 nan 0.000 0.433 490 V N -0.026 119.942 119.914 0.090 0.000 2.343 490 V HA -0.303 3.820 4.120 0.004 0.000 0.247 490 V C 2.473 178.621 176.094 0.091 0.000 1.051 490 V CA 1.998 64.354 62.300 0.093 0.000 1.036 490 V CB -0.686 31.180 31.823 0.070 0.000 0.654 490 V HN 0.553 nan 8.190 nan 0.000 0.451 491 Q N 0.021 119.863 119.800 0.071 0.000 2.084 491 Q HA -0.174 4.169 4.340 0.004 0.000 0.202 491 Q C 2.427 178.468 176.000 0.069 0.000 0.978 491 Q CA 1.780 57.619 55.803 0.060 0.000 0.844 491 Q CB -0.435 28.329 28.738 0.044 0.000 0.898 491 Q HN 0.675 nan 8.270 nan 0.000 0.426 492 A N 0.904 123.774 122.820 0.083 0.000 1.898 492 A HA -0.136 4.187 4.320 0.004 0.000 0.216 492 A C 2.076 179.731 177.584 0.119 0.000 1.181 492 A CA 0.978 53.070 52.037 0.091 0.000 0.620 492 A CB -0.602 18.467 19.000 0.115 0.000 0.819 492 A HN 0.273 nan 8.150 nan 0.000 0.442 493 L N -1.030 120.295 121.223 0.170 0.000 2.046 493 L HA -0.145 4.197 4.340 0.004 0.000 0.208 493 L C 2.639 179.657 176.870 0.247 0.000 1.077 493 L CA 0.955 55.946 54.840 0.252 0.000 0.747 493 L CB -0.395 41.791 42.059 0.212 0.000 0.896 493 L HN 0.264 nan 8.230 nan 0.000 0.432 494 R N 0.260 120.851 120.500 0.151 0.000 2.285 494 R HA -0.122 4.221 4.340 0.004 0.000 0.213 494 R C 1.814 178.140 176.300 0.044 0.000 1.068 494 R CA 0.684 56.850 56.100 0.109 0.000 1.004 494 R CB -0.330 30.020 30.300 0.083 0.000 0.873 494 R HN 0.532 nan 8.270 nan 0.000 0.467 495 E N -0.044 120.169 120.200 0.022 0.000 2.208 495 E HA -0.129 4.224 4.350 0.004 0.000 0.193 495 E C 1.397 177.929 176.600 -0.113 0.000 0.988 495 E CA 0.758 57.139 56.400 -0.032 0.000 0.828 495 E CB 0.308 29.993 29.700 -0.025 0.000 0.763 495 E HN 0.205 nan 8.360 nan 0.000 0.478 496 Q N -1.276 118.406 119.800 -0.197 0.000 2.342 496 Q HA 0.138 4.481 4.340 0.004 0.000 0.261 496 Q C -0.384 175.185 176.000 -0.718 0.000 0.841 496 Q CA 0.311 55.811 55.803 -0.506 0.000 0.969 496 Q CB 0.874 29.156 28.738 -0.760 0.000 1.136 496 Q HN 0.103 nan 8.270 nan 0.000 0.528 497 F N 2.179 122.123 119.950 -0.010 0.000 2.382 497 F HA 0.435 4.965 4.527 0.004 0.000 0.361 497 F C -2.116 173.699 175.800 0.025 0.000 1.109 497 F CA -2.585 55.420 58.000 0.008 0.000 1.031 497 F CB 1.329 40.338 39.000 0.015 0.000 1.234 497 F HN -0.197 nan 8.300 nan 0.000 0.445 498 P HA 0.187 nan 4.420 nan 0.000 0.272 498 P C -2.485 174.889 177.300 0.124 0.000 1.230 498 P CA -1.023 62.135 63.100 0.096 0.000 0.788 498 P CB 0.160 31.891 31.700 0.052 0.000 0.949 499 P HA 0.091 nan 4.420 nan 0.000 0.272 499 P C -0.686 176.667 177.300 0.088 0.000 1.230 499 P CA -0.119 63.046 63.100 0.109 0.000 0.788 499 P CB 0.287 32.035 31.700 0.080 0.000 0.949 500 L N 2.457 123.739 121.223 0.099 0.000 2.358 500 L HA 0.139 4.482 4.340 0.004 0.000 0.274 500 L C 0.990 177.874 176.870 0.023 0.000 1.136 500 L CA 0.594 55.444 54.840 0.015 0.000 0.970 500 L CB -0.830 41.166 42.059 -0.105 0.000 1.314 500 L HN 0.329 nan 8.230 nan 0.000 0.427 501 E N 0.848 121.061 120.200 0.021 0.000 2.216 501 E HA 0.010 4.363 4.350 0.004 0.000 0.192 501 E C 0.262 176.876 176.600 0.023 0.000 0.988 501 E CA 0.556 56.971 56.400 0.025 0.000 0.834 501 E CB 0.346 30.059 29.700 0.023 0.000 0.772 501 E HN 0.571 nan 8.360 nan 0.000 0.479 502 T N 0.102 114.659 114.554 0.005 0.000 2.889 502 T HA 0.114 4.466 4.350 0.004 0.000 0.315 502 T C -1.790 172.891 174.700 -0.031 0.000 1.291 502 T CA -1.002 61.099 62.100 0.003 0.000 1.028 502 T CB 1.348 70.218 68.868 0.004 0.000 1.235 502 T HN -0.223 nan 8.240 nan 0.000 0.491 503 D N 2.704 123.081 120.400 -0.038 0.000 2.525 503 D HA 0.348 4.990 4.640 0.004 0.000 0.235 503 D C 0.587 176.847 176.300 -0.068 0.000 1.137 503 D CA 0.664 54.619 54.000 -0.075 0.000 0.868 503 D CB 0.379 41.140 40.800 -0.065 0.000 1.180 503 D HN 0.684 nan 8.370 nan 0.000 0.465 504 R N 0.274 120.721 120.500 -0.089 0.000 2.692 504 R HA 0.601 4.943 4.340 0.004 0.000 0.269 504 R C -3.142 173.119 176.300 -0.065 0.000 1.030 504 R CA -1.691 54.372 56.100 -0.061 0.000 0.882 504 R CB 0.263 30.537 30.300 -0.043 0.000 1.250 504 R HN 0.007 nan 8.270 nan 0.000 0.465 505 P HA 0.115 nan 4.420 nan 0.000 0.267 505 P C -0.265 177.023 177.300 -0.019 0.000 1.209 505 P CA -0.178 62.904 63.100 -0.030 0.000 0.763 505 P CB 0.573 32.264 31.700 -0.016 0.000 0.816 506 L N 1.770 122.981 121.223 -0.019 0.000 2.638 506 L HA 0.161 4.504 4.340 0.004 0.000 0.232 506 L C 2.342 179.226 176.870 0.024 0.000 1.099 506 L CA 0.440 55.283 54.840 0.006 0.000 0.883 506 L CB -0.390 41.668 42.059 -0.001 0.000 1.136 506 L HN 0.531 nan 8.230 nan 0.000 0.492 507 G N 0.262 109.070 108.800 0.014 0.000 2.529 507 G HA2 -0.312 3.651 3.960 0.004 0.000 0.219 507 G HA3 -0.312 3.651 3.960 0.004 0.000 0.219 507 G C 1.413 176.329 174.900 0.026 0.000 1.177 507 G CA 0.763 45.873 45.100 0.017 0.000 0.773 507 G HN 0.384 nan 8.290 nan 0.000 0.573 508 Q N -0.143 119.677 119.800 0.034 0.000 2.119 508 Q HA -0.070 4.273 4.340 0.004 0.000 0.201 508 Q C 2.508 178.560 176.000 0.086 0.000 0.972 508 Q CA 1.227 57.059 55.803 0.048 0.000 0.847 508 Q CB -0.097 28.665 28.738 0.041 0.000 0.903 508 Q HN 0.632 nan 8.270 nan 0.000 0.433 509 E N 0.611 120.879 120.200 0.113 0.000 2.072 509 E HA -0.138 4.215 4.350 0.004 0.000 0.191 509 E C 1.969 178.596 176.600 0.045 0.000 0.985 509 E CA 0.704 57.230 56.400 0.211 0.000 0.801 509 E CB -0.005 29.842 29.700 0.246 0.000 0.750 509 E HN 0.324 nan 8.360 nan 0.000 0.452 510 I N 1.113 121.677 120.570 -0.010 0.000 2.179 510 I HA -0.294 3.878 4.170 0.004 0.000 0.242 510 I C 2.540 178.626 176.117 -0.052 0.000 1.088 510 I CA 1.063 62.323 61.300 -0.067 0.000 1.357 510 I CB -0.315 37.670 38.000 -0.025 0.000 1.051 510 I HN 0.097 nan 8.210 nan 0.000 0.409 511 A N 0.677 123.496 122.820 -0.002 0.000 1.902 511 A HA -0.164 4.159 4.320 0.004 0.000 0.217 511 A C 2.539 180.138 177.584 0.025 0.000 1.181 511 A CA 1.891 53.933 52.037 0.008 0.000 0.623 511 A CB -0.854 18.158 19.000 0.021 0.000 0.818 511 A HN 0.439 nan 8.150 nan 0.000 0.443 512 A N -0.588 122.277 122.820 0.075 0.000 1.877 512 A HA -0.028 4.294 4.320 0.004 0.000 0.216 512 A C 2.128 179.800 177.584 0.146 0.000 1.186 512 A CA 1.756 53.874 52.037 0.135 0.000 0.620 512 A CB -0.622 18.515 19.000 0.228 0.000 0.822 512 A HN 0.664 nan 8.150 nan 0.000 0.443 513 L N -0.199 121.060 121.223 0.060 0.000 2.056 513 L HA -0.018 4.325 4.340 0.004 0.000 0.207 513 L C 2.661 179.451 176.870 -0.134 0.000 1.078 513 L CA 2.065 56.842 54.840 -0.105 0.000 0.749 513 L CB -0.928 40.799 42.059 -0.553 0.000 0.901 513 L HN 0.352 nan 8.230 nan 0.000 0.433 514 A N -1.517 121.221 122.820 -0.138 0.000 1.908 514 A HA -0.241 4.082 4.320 0.004 0.000 0.218 514 A C 2.264 179.789 177.584 -0.099 0.000 1.181 514 A CA 2.398 54.346 52.037 -0.149 0.000 0.627 514 A CB -1.249 17.694 19.000 -0.095 0.000 0.818 514 A HN 0.511 nan 8.150 nan 0.000 0.445 515 T N -1.472 113.068 114.554 -0.023 0.000 2.788 515 T HA -0.167 4.185 4.350 0.004 0.000 0.268 515 T C 1.849 176.557 174.700 0.012 0.000 1.044 515 T CA 1.909 64.015 62.100 0.009 0.000 1.139 515 T CB -0.384 68.509 68.868 0.042 0.000 0.867 515 T HN 0.813 nan 8.240 nan 0.000 0.454 516 H N 1.098 120.127 119.070 -0.068 0.000 2.357 516 H HA 0.130 4.688 4.556 0.004 0.000 0.301 516 H C 2.003 177.255 175.328 -0.126 0.000 1.082 516 H CA 1.154 57.166 56.048 -0.060 0.000 1.342 516 H CB -0.483 29.268 29.762 -0.017 0.000 1.389 516 H HN 0.234 nan 8.280 nan 0.000 0.511 517 L N -0.001 121.021 121.223 -0.335 0.000 2.127 517 L HA -0.176 4.167 4.340 0.004 0.000 0.211 517 L C 2.284 178.986 176.870 -0.279 0.000 1.089 517 L CA 1.020 55.520 54.840 -0.568 0.000 0.757 517 L CB -0.504 41.048 42.059 -0.845 0.000 0.899 517 L HN 0.338 nan 8.230 nan 0.000 0.434 518 L N -0.819 120.287 121.223 -0.195 0.000 2.291 518 L HA -0.155 4.188 4.340 0.004 0.000 0.214 518 L C 2.240 179.078 176.870 -0.052 0.000 1.120 518 L CA 0.980 55.774 54.840 -0.076 0.000 0.799 518 L CB -0.198 41.848 42.059 -0.021 0.000 0.925 518 L HN 0.377 nan 8.230 nan 0.000 0.446 519 Q N -1.521 118.161 119.800 -0.198 0.000 2.316 519 Q HA 0.191 4.534 4.340 0.004 0.000 0.235 519 Q C 0.018 175.602 176.000 -0.694 0.000 0.863 519 Q CA 0.085 55.736 55.803 -0.252 0.000 0.939 519 Q CB 1.061 29.755 28.738 -0.074 0.000 1.108 519 Q HN 0.441 nan 8.270 nan 0.000 0.522 520 Q N -0.247 119.107 119.800 -0.744 0.000 2.416 520 Q HA 0.471 4.814 4.340 0.004 0.000 0.281 520 Q C -1.293 174.581 176.000 -0.209 0.000 1.067 520 Q CA -0.424 55.009 55.803 -0.617 0.000 0.809 520 Q CB 2.731 31.231 28.738 -0.398 0.000 1.418 520 Q HN -0.066 nan 8.270 nan 0.000 0.411 521 S N 1.839 117.485 115.700 -0.090 0.000 2.638 521 S HA 0.585 5.058 4.470 0.004 0.000 0.298 521 S C -2.452 171.943 174.600 -0.341 0.000 1.111 521 S CA -1.166 56.936 58.200 -0.164 0.000 1.027 521 S CB 1.059 64.219 63.200 -0.067 0.000 1.064 521 S HN 0.415 nan 8.310 nan 0.000 0.525 522 P HA 0.371 nan 4.420 nan 0.000 0.279 522 P C -1.071 176.035 177.300 -0.324 0.000 1.318 522 P CA -0.037 62.673 63.100 -0.650 0.000 0.819 522 P CB 0.347 31.374 31.700 -1.121 0.000 0.927 523 V N 0.000 119.817 119.914 -0.162 0.000 2.409 523 V HA 0.000 4.123 4.120 0.004 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.780 31.823 -0.072 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556