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 3hsi_1_B DATA FIRST_RESID 3 DATA SEQUENCE INKTKRAEQN LNNLPFLALQ AEQIEFLGSS AEFKTQIIEL IRNAKKRIYV DATA SEQUENCE TALYWQKDEA GQEILDEIYR VKQENPHLDV KVLIDWHRAQ RNLXXAEKSA DATA SEQUENCE TNADWYCEQR QTYQLPDDPN XFFGVPINTR EVFGVLHVKG FVFDDTVLYS DATA SEQUENCE GASINNVYLH QFEKYRYDRY QKITHAELAD SXVNFINDYL LDFSAVYPLD DATA SEQUENCE VTNRPRTKEI RGNIRAYRKD LAQNGEYSLK SAVKLPNVLS VSPLFGLGAS DATA SEQUENCE GNELNQVIED LFLQVQKKLV ICTPYFNFPR TLQHKIATLL ENGKRVEIIV DATA SEQUENCE GDKVANDFYI PPEQPFKXAG ALPYLYESNL RRFCEKFETQ IESGQLVVRL DATA SEQUENCE WRDGDNTYHL KGVWVDDRYI LLTGNNLNPR AWRLDAENGL LIYDPQQQLL DATA SEQUENCE AQVEKEQNQI RQHTKVLKHY TELEELNQYP EPVQKLLKKF ARIKADKLVK DATA SEQUENCE XIL 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.123 176.117 0.010 0.000 1.063 3 I CA 0.000 61.306 61.300 0.009 0.000 1.566 3 I CB 0.000 38.006 38.000 0.009 0.000 1.214 4 N N 2.147 120.854 118.700 0.011 0.000 2.415 4 N HA 0.468 5.208 4.740 0.000 0.000 0.248 4 N C 0.733 176.251 175.510 0.013 0.000 1.271 4 N CA 0.601 53.659 53.050 0.013 0.000 0.913 4 N CB 0.556 39.051 38.487 0.013 0.000 1.129 4 N HN 1.497 nan 8.380 nan 0.000 0.444 5 K N -0.037 120.372 120.400 0.015 0.000 2.362 5 K HA -0.133 4.187 4.320 0.000 0.000 0.202 5 K C 1.773 178.380 176.600 0.012 0.000 1.045 5 K CA 2.113 58.409 56.287 0.015 0.000 0.936 5 K CB -1.357 31.156 32.500 0.022 0.000 0.747 5 K HN 0.754 nan 8.250 nan 0.000 0.467 6 T N -0.097 114.464 114.554 0.011 0.000 2.939 6 T HA 0.021 4.371 4.350 0.000 0.000 0.254 6 T C 1.993 176.701 174.700 0.013 0.000 1.041 6 T CA 1.158 63.265 62.100 0.012 0.000 1.142 6 T CB -0.004 68.870 68.868 0.010 0.000 0.874 6 T HN 0.566 nan 8.240 nan 0.000 0.452 7 K N 1.096 121.503 120.400 0.012 0.000 2.057 7 K HA -0.049 4.271 4.320 0.000 0.000 0.207 7 K C 2.930 179.536 176.600 0.009 0.000 1.049 7 K CA 1.404 57.699 56.287 0.013 0.000 0.931 7 K CB -0.198 32.309 32.500 0.012 0.000 0.714 7 K HN 0.198 nan 8.250 nan 0.000 0.440 8 R N 0.969 121.473 120.500 0.007 0.000 2.103 8 R HA -0.110 4.230 4.340 0.000 0.000 0.242 8 R C 2.301 178.599 176.300 -0.003 0.000 1.142 8 R CA 1.998 58.099 56.100 0.002 0.000 0.960 8 R CB -1.711 28.591 30.300 0.002 0.000 0.858 8 R HN 0.395 nan 8.270 nan 0.000 0.439 9 A N 0.569 123.389 122.820 -0.001 0.000 1.883 9 A HA -0.213 4.107 4.320 0.000 0.000 0.217 9 A C 2.242 179.819 177.584 -0.011 0.000 1.186 9 A CA 1.807 53.839 52.037 -0.008 0.000 0.624 9 A CB -0.532 18.468 19.000 0.000 0.000 0.822 9 A HN 0.742 nan 8.150 nan 0.000 0.444 10 E N -0.435 119.769 120.200 0.006 0.000 2.085 10 E HA -0.282 4.069 4.350 0.000 0.000 0.194 10 E C 2.210 178.817 176.600 0.011 0.000 0.994 10 E CA 1.627 58.039 56.400 0.020 0.000 0.801 10 E CB -0.137 29.581 29.700 0.031 0.000 0.743 10 E HN 0.792 nan 8.360 nan 0.000 0.453 11 Q N -0.130 119.672 119.800 0.004 0.000 2.046 11 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 11 Q C 2.104 178.099 176.000 -0.010 0.000 0.975 11 Q CA 1.327 57.131 55.803 0.001 0.000 0.836 11 Q CB -0.099 28.639 28.738 0.000 0.000 0.896 11 Q HN 0.247 nan 8.270 nan 0.000 0.428 12 N N 0.988 119.675 118.700 -0.020 0.000 2.036 12 N HA -0.177 4.563 4.740 0.000 0.000 0.195 12 N C 1.875 177.356 175.510 -0.048 0.000 1.037 12 N CA 1.220 54.247 53.050 -0.038 0.000 0.855 12 N CB -0.489 37.970 38.487 -0.046 0.000 1.033 12 N HN 0.193 nan 8.380 nan 0.000 0.423 13 L N 0.749 121.942 121.223 -0.050 0.000 2.042 13 L HA -0.157 4.183 4.340 0.000 0.000 0.210 13 L C 1.682 178.555 176.870 0.004 0.000 1.076 13 L CA 1.042 55.849 54.840 -0.055 0.000 0.749 13 L CB -0.525 41.474 42.059 -0.100 0.000 0.893 13 L HN 0.144 nan 8.230 nan 0.000 0.432 14 N N -0.004 118.701 118.700 0.008 0.000 2.289 14 N HA -0.156 4.584 4.740 0.000 0.000 0.184 14 N C 1.465 176.992 175.510 0.029 0.000 1.016 14 N CA 0.903 53.966 53.050 0.020 0.000 0.872 14 N CB -0.486 38.011 38.487 0.018 0.000 0.973 14 N HN 0.289 nan 8.380 nan 0.000 0.433 15 N N 0.523 119.224 118.700 0.002 0.000 2.521 15 N HA 0.046 4.786 4.740 0.000 0.000 0.188 15 N C -0.064 175.422 175.510 -0.040 0.000 1.146 15 N CA 0.073 53.115 53.050 -0.012 0.000 0.893 15 N CB 0.055 38.527 38.487 -0.025 0.000 0.975 15 N HN 0.294 nan 8.380 nan 0.000 0.451 16 L N 2.474 123.663 121.223 -0.058 0.000 2.416 16 L HA 0.195 4.535 4.340 0.000 0.000 0.272 16 L C -1.921 174.804 176.870 -0.242 0.000 1.161 16 L CA -1.456 53.256 54.840 -0.213 0.000 0.845 16 L CB 0.486 42.318 42.059 -0.378 0.000 1.119 16 L HN -0.099 nan 8.230 nan 0.000 0.464 17 P HA 0.251 nan 4.420 nan 0.000 0.280 17 P C -1.179 175.892 177.300 -0.382 0.000 1.244 17 P CA -0.089 62.894 63.100 -0.196 0.000 0.784 17 P CB 0.752 32.370 31.700 -0.135 0.000 0.913 18 F N 2.121 122.059 119.950 -0.021 0.000 2.547 18 F HA 0.370 4.897 4.527 0.000 0.000 0.316 18 F C 0.009 175.797 175.800 -0.019 0.000 1.121 18 F CA -1.029 56.962 58.000 -0.016 0.000 0.911 18 F CB 1.951 40.965 39.000 0.024 0.000 1.179 18 F HN 0.108 nan 8.300 nan 0.000 0.443 19 L N 3.845 125.155 121.223 0.145 0.000 2.289 19 L HA 0.841 5.181 4.340 0.000 0.000 0.285 19 L C -0.141 176.748 176.870 0.031 0.000 1.049 19 L CA -0.336 54.532 54.840 0.048 0.000 0.804 19 L CB 0.873 42.896 42.059 -0.061 0.000 1.195 19 L HN 0.674 nan 8.230 nan 0.000 0.428 20 A N 4.837 127.680 122.820 0.038 0.000 2.445 20 A HA 0.523 4.844 4.320 0.000 0.000 0.242 20 A C -0.783 176.796 177.584 -0.009 0.000 1.075 20 A CA -0.137 51.919 52.037 0.031 0.000 0.777 20 A CB 0.234 19.267 19.000 0.056 0.000 1.013 20 A HN 0.793 nan 8.150 nan 0.000 0.493 21 L N 1.101 122.321 121.223 -0.006 0.000 2.455 21 L HA 0.368 4.709 4.340 0.000 0.000 0.264 21 L C -0.820 176.066 176.870 0.027 0.000 0.968 21 L CA -0.187 54.647 54.840 -0.010 0.000 0.827 21 L CB 2.179 44.199 42.059 -0.066 0.000 1.317 21 L HN 0.783 nan 8.230 nan 0.000 0.407 22 Q N 3.056 122.893 119.800 0.062 0.000 2.235 22 Q HA 0.437 4.777 4.340 0.000 0.000 0.250 22 Q C 0.825 176.846 176.000 0.034 0.000 0.909 22 Q CA 0.207 56.036 55.803 0.043 0.000 0.910 22 Q CB 1.742 30.512 28.738 0.053 0.000 1.223 22 Q HN 0.875 nan 8.270 nan 0.000 0.432 23 A N 2.942 125.779 122.820 0.028 0.000 1.903 23 A HA -0.274 4.046 4.320 0.000 0.000 0.219 23 A C 1.762 179.372 177.584 0.043 0.000 1.191 23 A CA 1.982 54.043 52.037 0.039 0.000 0.638 23 A CB -0.391 18.632 19.000 0.039 0.000 0.823 23 A HN 0.890 nan 8.150 nan 0.000 0.451 24 E N -0.704 119.519 120.200 0.039 0.000 2.219 24 E HA -0.249 4.101 4.350 0.000 0.000 0.198 24 E C 1.990 178.613 176.600 0.038 0.000 0.998 24 E CA 1.425 57.847 56.400 0.038 0.000 0.818 24 E CB -0.134 29.586 29.700 0.033 0.000 0.741 24 E HN 0.772 nan 8.360 nan 0.000 0.477 25 Q N -0.291 119.535 119.800 0.043 0.000 2.403 25 Q HA 0.111 4.451 4.340 0.000 0.000 0.203 25 Q C 0.121 176.133 176.000 0.019 0.000 0.932 25 Q CA 0.237 56.071 55.803 0.050 0.000 0.945 25 Q CB 0.471 29.271 28.738 0.103 0.000 1.045 25 Q HN 0.269 nan 8.270 nan 0.000 0.511 26 I N 0.164 120.727 120.570 -0.012 0.000 2.465 26 I HA 0.375 4.546 4.170 0.000 0.000 0.291 26 I C -0.546 175.521 176.117 -0.084 0.000 1.014 26 I CA -0.818 60.424 61.300 -0.096 0.000 1.093 26 I CB 1.845 39.741 38.000 -0.173 0.000 1.267 26 I HN -0.083 nan 8.210 nan 0.000 0.431 27 E N 5.916 126.043 120.200 -0.121 0.000 2.218 27 E HA 0.428 4.778 4.350 0.000 0.000 0.263 27 E C -1.720 174.825 176.600 -0.092 0.000 0.879 27 E CA -0.625 55.759 56.400 -0.026 0.000 0.762 27 E CB 1.399 31.121 29.700 0.037 0.000 1.166 27 E HN 0.428 nan 8.360 nan 0.000 0.415 28 F N 4.860 124.863 119.950 0.088 0.000 2.413 28 F HA 0.246 4.773 4.527 0.000 0.000 0.359 28 F C 0.308 176.189 175.800 0.135 0.000 1.122 28 F CA -0.479 57.583 58.000 0.104 0.000 1.160 28 F CB 0.558 39.615 39.000 0.095 0.000 1.146 28 F HN 0.305 nan 8.300 nan 0.000 0.514 29 L N 2.975 124.387 121.223 0.315 0.000 2.417 29 L HA 0.245 4.585 4.340 0.000 0.000 0.268 29 L C 1.520 178.602 176.870 0.353 0.000 1.158 29 L CA -0.076 54.945 54.840 0.303 0.000 0.819 29 L CB 0.645 42.881 42.059 0.295 0.000 1.112 29 L HN 0.834 nan 8.230 nan 0.000 0.458 30 G N 0.842 109.803 108.800 0.268 0.000 2.494 30 G HA2 0.035 3.995 3.960 0.000 0.000 0.216 30 G HA3 0.035 3.995 3.960 0.000 0.000 0.216 30 G C 0.448 175.542 174.900 0.323 0.000 1.140 30 G CA 0.738 45.995 45.100 0.261 0.000 0.801 30 G HN 0.658 nan 8.290 nan 0.000 0.536 31 S N -1.796 114.082 115.700 0.297 0.000 2.615 31 S HA 0.410 4.880 4.470 0.000 0.000 0.269 31 S C 0.919 175.559 174.600 0.066 0.000 1.161 31 S CA 0.470 58.827 58.200 0.262 0.000 0.817 31 S CB 1.160 64.430 63.200 0.115 0.000 1.131 31 S HN 0.372 nan 8.310 nan 0.000 0.467 32 S N 0.621 116.386 115.700 0.108 0.000 2.423 32 S HA 0.022 4.493 4.470 0.000 0.000 0.231 32 S C 1.938 176.590 174.600 0.087 0.000 1.014 32 S CA 0.804 59.033 58.200 0.048 0.000 0.965 32 S CB -1.004 62.360 63.200 0.273 0.000 0.785 32 S HN 1.282 nan 8.310 nan 0.000 0.495 33 A N 1.741 124.626 122.820 0.108 0.000 1.898 33 A HA -0.026 4.294 4.320 0.000 0.000 0.216 33 A C 2.195 179.782 177.584 0.004 0.000 1.181 33 A CA 1.348 53.421 52.037 0.060 0.000 0.620 33 A CB -0.677 18.340 19.000 0.030 0.000 0.819 33 A HN 0.587 nan 8.150 nan 0.000 0.442 34 E N -1.303 118.900 120.200 0.005 0.000 2.106 34 E HA -0.178 4.172 4.350 0.000 0.000 0.192 34 E C 1.728 178.318 176.600 -0.016 0.000 0.984 34 E CA 1.064 57.464 56.400 -0.000 0.000 0.806 34 E CB -0.222 29.501 29.700 0.039 0.000 0.750 34 E HN 0.566 nan 8.360 nan 0.000 0.458 35 F N 2.297 122.052 119.950 -0.326 0.000 2.065 35 F HA -0.267 4.260 4.527 0.000 0.000 0.298 35 F C 2.275 177.971 175.800 -0.174 0.000 1.112 35 F CA 2.081 59.850 58.000 -0.385 0.000 1.212 35 F CB -0.411 38.081 39.000 -0.846 0.000 0.975 35 F HN -0.141 nan 8.300 nan 0.000 0.476 36 K N -0.582 119.696 120.400 -0.204 0.000 2.044 36 K HA -0.197 4.123 4.320 0.000 0.000 0.210 36 K C 1.965 178.436 176.600 -0.215 0.000 1.049 36 K CA 2.241 58.372 56.287 -0.260 0.000 0.927 36 K CB -0.553 31.876 32.500 -0.118 0.000 0.713 36 K HN 0.314 nan 8.250 nan 0.000 0.443 37 T N 1.330 115.804 114.554 -0.133 0.000 2.759 37 T HA -0.142 4.208 4.350 0.000 0.000 0.269 37 T C 1.824 176.447 174.700 -0.128 0.000 1.042 37 T CA 1.180 63.218 62.100 -0.105 0.000 1.140 37 T CB -0.099 68.732 68.868 -0.061 0.000 0.864 37 T HN 0.287 nan 8.240 nan 0.000 0.455 38 Q N 0.280 119.996 119.800 -0.140 0.000 2.096 38 Q HA 0.160 4.500 4.340 0.000 0.000 0.197 38 Q C 2.482 178.328 176.000 -0.257 0.000 0.964 38 Q CA 0.830 56.547 55.803 -0.144 0.000 0.838 38 Q CB -0.454 28.252 28.738 -0.053 0.000 0.906 38 Q HN 0.542 nan 8.270 nan 0.000 0.444 39 I N 0.470 120.851 120.570 -0.315 0.000 2.208 39 I HA -0.308 3.862 4.170 0.000 0.000 0.245 39 I C 2.215 178.131 176.117 -0.335 0.000 1.097 39 I CA 1.141 62.230 61.300 -0.351 0.000 1.363 39 I CB -0.276 37.499 38.000 -0.375 0.000 1.051 39 I HN 0.129 nan 8.210 nan 0.000 0.413 40 I N 0.377 120.804 120.570 -0.237 0.000 2.163 40 I HA -0.256 3.914 4.170 0.000 0.000 0.240 40 I C 2.483 178.504 176.117 -0.161 0.000 1.081 40 I CA 1.468 62.671 61.300 -0.160 0.000 1.353 40 I CB -0.403 37.531 38.000 -0.111 0.000 1.054 40 I HN 0.219 nan 8.210 nan 0.000 0.407 41 E N 0.825 120.927 120.200 -0.163 0.000 2.085 41 E HA -0.231 4.119 4.350 0.000 0.000 0.194 41 E C 2.303 178.782 176.600 -0.202 0.000 0.994 41 E CA 1.243 57.558 56.400 -0.141 0.000 0.801 41 E CB -0.191 29.442 29.700 -0.112 0.000 0.743 41 E HN 0.473 nan 8.360 nan 0.000 0.453 42 L N 0.571 121.574 121.223 -0.367 0.000 2.093 42 L HA -0.169 4.171 4.340 0.000 0.000 0.208 42 L C 2.445 179.033 176.870 -0.470 0.000 1.085 42 L CA 0.852 55.344 54.840 -0.580 0.000 0.755 42 L CB -0.299 41.041 42.059 -1.199 0.000 0.904 42 L HN 0.156 nan 8.230 nan 0.000 0.435 43 I N -0.589 119.755 120.570 -0.376 0.000 2.202 43 I HA -0.252 3.919 4.170 0.000 0.000 0.242 43 I C 2.704 178.810 176.117 -0.019 0.000 1.091 43 I CA 1.160 62.424 61.300 -0.059 0.000 1.368 43 I CB -0.263 37.741 38.000 0.007 0.000 1.058 43 I HN 0.160 nan 8.210 nan 0.000 0.410 44 R N 0.666 121.135 120.500 -0.052 0.000 2.152 44 R HA -0.111 4.229 4.340 0.000 0.000 0.232 44 R C 1.510 177.806 176.300 -0.007 0.000 1.117 44 R CA 1.080 57.170 56.100 -0.018 0.000 0.981 44 R CB -0.262 30.023 30.300 -0.025 0.000 0.870 44 R HN 0.435 nan 8.270 nan 0.000 0.451 45 N N 0.150 118.837 118.700 -0.022 0.000 2.280 45 N HA 0.066 4.806 4.740 0.000 0.000 0.192 45 N C -0.243 175.289 175.510 0.036 0.000 1.109 45 N CA 0.111 53.162 53.050 0.001 0.000 0.855 45 N CB 0.648 39.125 38.487 -0.016 0.000 0.974 45 N HN 0.086 nan 8.380 nan 0.000 0.482 46 A N 1.029 123.888 122.820 0.064 0.000 2.488 46 A HA 0.152 4.472 4.320 0.000 0.000 0.249 46 A C 0.937 178.572 177.584 0.085 0.000 1.083 46 A CA 0.266 52.371 52.037 0.113 0.000 0.768 46 A CB 0.448 19.559 19.000 0.185 0.000 1.017 46 A HN 0.142 nan 8.150 nan 0.000 0.496 47 K N 0.803 121.255 120.400 0.086 0.000 2.412 47 K HA 0.136 4.456 4.320 0.000 0.000 0.202 47 K C 0.982 177.630 176.600 0.080 0.000 1.102 47 K CA 0.368 56.698 56.287 0.072 0.000 1.027 47 K CB 0.573 33.109 32.500 0.060 0.000 0.931 47 K HN 0.706 nan 8.250 nan 0.000 0.557 48 K N 0.302 120.758 120.400 0.093 0.000 2.485 48 K HA 0.160 4.480 4.320 0.000 0.000 0.200 48 K C 0.257 176.921 176.600 0.108 0.000 1.344 48 K CA 0.086 56.429 56.287 0.094 0.000 0.948 48 K CB 0.977 33.528 32.500 0.086 0.000 1.454 48 K HN -0.029 nan 8.250 nan 0.000 0.502 49 R N 0.667 121.247 120.500 0.133 0.000 2.707 49 R HA 0.538 4.878 4.340 0.000 0.000 0.272 49 R C -1.458 174.928 176.300 0.144 0.000 1.011 49 R CA -0.676 55.517 56.100 0.156 0.000 0.893 49 R CB 1.274 31.747 30.300 0.288 0.000 1.233 49 R HN -0.073 nan 8.270 nan 0.000 0.464 50 I N 2.461 123.056 120.570 0.042 0.000 2.497 50 I HA 0.327 4.497 4.170 0.000 0.000 0.284 50 I C -1.405 174.593 176.117 -0.199 0.000 1.060 50 I CA -0.715 60.549 61.300 -0.060 0.000 1.071 50 I CB 1.709 39.695 38.000 -0.023 0.000 1.216 50 I HN 0.567 nan 8.210 nan 0.000 0.442 51 Y N 5.323 125.496 120.300 -0.211 0.000 2.335 51 Y HA 0.607 5.157 4.550 0.000 0.000 0.338 51 Y C -0.165 175.640 175.900 -0.159 0.000 0.977 51 Y CA -0.897 57.122 58.100 -0.136 0.000 1.114 51 Y CB 2.043 40.469 38.460 -0.055 0.000 1.182 51 Y HN 0.154 nan 8.280 nan 0.000 0.463 52 V N 3.320 123.234 119.914 -0.001 0.000 2.483 52 V HA 0.387 4.507 4.120 0.000 0.000 0.297 52 V C -0.464 175.746 176.094 0.194 0.000 1.027 52 V CA -0.870 61.448 62.300 0.030 0.000 0.855 52 V CB 2.014 33.718 31.823 -0.198 0.000 0.995 52 V HN 0.848 nan 8.190 nan 0.000 0.424 53 T N 2.153 116.907 114.554 0.332 0.000 2.829 53 T HA 0.927 5.277 4.350 0.000 0.000 0.282 53 T C -0.244 174.682 174.700 0.376 0.000 0.990 53 T CA -0.421 61.868 62.100 0.316 0.000 1.028 53 T CB 2.040 71.083 68.868 0.292 0.000 0.951 53 T HN 1.188 nan 8.240 nan 0.000 0.460 54 A N 2.078 125.089 122.820 0.317 0.000 2.610 54 A HA 0.655 4.976 4.320 0.000 0.000 0.291 54 A C 0.537 178.266 177.584 0.241 0.000 1.086 54 A CA -0.790 51.411 52.037 0.274 0.000 0.677 54 A CB 0.855 20.028 19.000 0.288 0.000 1.278 54 A HN 0.775 nan 8.150 nan 0.000 0.414 55 L N 0.273 121.606 121.223 0.183 0.000 1.989 55 L HA 0.095 4.435 4.340 0.000 0.000 0.211 55 L C 0.498 177.605 176.870 0.394 0.000 1.071 55 L CA 2.887 57.876 54.840 0.247 0.000 0.749 55 L CB -0.702 41.529 42.059 0.286 0.000 0.890 55 L HN 0.989 nan 8.230 nan 0.000 0.431 56 Y N -5.009 115.463 120.300 0.287 0.000 2.656 56 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 56 Y C -1.499 174.671 175.900 0.449 0.000 1.179 56 Y CA -2.038 56.273 58.100 0.352 0.000 1.050 56 Y CB 0.267 38.896 38.460 0.282 0.000 1.308 56 Y HN 0.004 nan 8.280 nan 0.000 0.456 57 W N 3.808 125.400 121.300 0.486 0.000 2.543 57 W HA 0.504 5.164 4.660 0.000 0.000 0.318 57 W C -1.539 175.278 176.519 0.497 0.000 1.002 57 W CA -1.223 56.381 57.345 0.431 0.000 1.302 57 W CB 2.074 31.815 29.460 0.469 0.000 1.299 57 W HN 0.851 nan 8.180 nan 0.000 0.424 58 Q N 3.900 124.115 119.800 0.691 0.000 2.288 58 Q HA 0.160 4.500 4.340 0.000 0.000 0.254 58 Q C 0.360 176.368 176.000 0.014 0.000 0.932 58 Q CA 0.121 56.151 55.803 0.378 0.000 0.902 58 Q CB 0.974 29.897 28.738 0.309 0.000 1.203 58 Q HN 0.385 nan 8.270 nan 0.000 0.415 59 K N 2.106 122.264 120.400 -0.403 0.000 2.081 59 K HA 0.176 4.496 4.320 0.000 0.000 0.230 59 K C -0.923 175.318 176.600 -0.599 0.000 1.199 59 K CA -0.190 55.389 56.287 -1.179 0.000 1.130 59 K CB -0.277 31.529 32.500 -1.157 0.000 1.386 59 K HN 0.502 nan 8.250 nan 0.000 0.280 60 D N 0.545 120.716 120.400 -0.383 0.000 2.837 60 D HA 0.120 4.760 4.640 0.000 0.000 0.294 60 D C 0.268 176.524 176.300 -0.073 0.000 1.158 60 D CA -0.849 53.060 54.000 -0.151 0.000 1.073 60 D CB 0.335 41.127 40.800 -0.014 0.000 1.419 60 D HN 0.078 nan 8.370 nan 0.000 0.584 61 E N -0.145 120.084 120.200 0.048 0.000 2.077 61 E HA -0.018 4.332 4.350 0.000 0.000 0.193 61 E C 1.938 178.549 176.600 0.019 0.000 0.989 61 E CA 2.138 58.581 56.400 0.072 0.000 0.800 61 E CB -0.518 29.293 29.700 0.186 0.000 0.746 61 E HN 0.501 nan 8.360 nan 0.000 0.452 62 A N 0.646 123.456 122.820 -0.018 0.000 1.858 62 A HA -0.074 4.246 4.320 0.000 0.000 0.216 62 A C 2.488 180.099 177.584 0.045 0.000 1.190 62 A CA 1.804 53.824 52.037 -0.029 0.000 0.617 62 A CB -1.388 17.585 19.000 -0.043 0.000 0.827 62 A HN 0.355 nan 8.150 nan 0.000 0.443 63 G N -0.839 108.014 108.800 0.089 0.000 2.476 63 G HA2 -0.346 3.614 3.960 0.000 0.000 0.218 63 G HA3 -0.346 3.614 3.960 0.000 0.000 0.218 63 G C 1.626 176.901 174.900 0.624 0.000 1.164 63 G CA 1.526 46.835 45.100 0.349 0.000 0.768 63 G HN 0.544 nan 8.290 nan 0.000 0.560 64 Q N 0.418 120.419 119.800 0.335 0.000 2.084 64 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 64 Q C 2.326 178.536 176.000 0.349 0.000 0.978 64 Q CA 2.140 58.218 55.803 0.459 0.000 0.844 64 Q CB -0.401 28.490 28.738 0.256 0.000 0.898 64 Q HN 0.698 nan 8.270 nan 0.000 0.426 65 E N -0.928 119.407 120.200 0.225 0.000 2.046 65 E HA -0.139 4.211 4.350 0.000 0.000 0.190 65 E C 1.648 178.349 176.600 0.169 0.000 0.982 65 E CA 1.042 57.533 56.400 0.151 0.000 0.800 65 E CB -0.013 29.723 29.700 0.061 0.000 0.756 65 E HN 0.358 nan 8.360 nan 0.000 0.449 66 I N 1.293 121.977 120.570 0.190 0.000 2.226 66 I HA -0.224 3.946 4.170 0.000 0.000 0.245 66 I C 2.516 178.877 176.117 0.407 0.000 1.100 66 I CA 0.753 62.172 61.300 0.200 0.000 1.374 66 I CB -1.291 36.692 38.000 -0.028 0.000 1.057 66 I HN 0.281 nan 8.210 nan 0.000 0.413 67 L N 1.262 122.844 121.223 0.597 0.000 2.046 67 L HA -0.199 4.141 4.340 0.000 0.000 0.208 67 L C 2.041 178.980 176.870 0.114 0.000 1.077 67 L CA 1.911 56.941 54.840 0.318 0.000 0.747 67 L CB -0.902 41.306 42.059 0.248 0.000 0.896 67 L HN 0.159 nan 8.230 nan 0.000 0.432 68 D N -0.339 120.180 120.400 0.199 0.000 2.104 68 D HA -0.188 4.452 4.640 0.000 0.000 0.194 68 D C 2.075 178.486 176.300 0.185 0.000 0.994 68 D CA 1.301 55.423 54.000 0.203 0.000 0.830 68 D CB -0.071 40.843 40.800 0.191 0.000 0.959 68 D HN 0.416 nan 8.370 nan 0.000 0.452 69 E N 0.246 120.528 120.200 0.137 0.000 2.085 69 E HA -0.144 4.206 4.350 0.000 0.000 0.194 69 E C 2.455 179.103 176.600 0.079 0.000 0.994 69 E CA 0.352 56.811 56.400 0.098 0.000 0.801 69 E CB -0.296 29.442 29.700 0.063 0.000 0.743 69 E HN 0.356 nan 8.360 nan 0.000 0.453 70 I N 0.355 120.948 120.570 0.038 0.000 2.179 70 I HA -0.293 3.877 4.170 0.000 0.000 0.242 70 I C 2.186 178.268 176.117 -0.058 0.000 1.088 70 I CA 1.133 62.395 61.300 -0.063 0.000 1.357 70 I CB -0.278 37.605 38.000 -0.196 0.000 1.051 70 I HN 0.044 nan 8.210 nan 0.000 0.409 71 Y N 0.206 120.542 120.300 0.060 0.000 2.242 71 Y HA -0.212 4.338 4.550 0.000 0.000 0.291 71 Y C 2.688 178.651 175.900 0.105 0.000 1.137 71 Y CA 1.321 59.481 58.100 0.100 0.000 1.181 71 Y CB -0.714 37.870 38.460 0.207 0.000 0.989 71 Y HN 0.103 nan 8.280 nan 0.000 0.527 72 R N 0.001 120.654 120.500 0.254 0.000 2.070 72 R HA -0.128 4.213 4.340 0.000 0.000 0.233 72 R C 1.971 178.333 176.300 0.103 0.000 1.137 72 R CA 1.933 58.128 56.100 0.159 0.000 0.945 72 R CB -0.594 29.783 30.300 0.127 0.000 0.845 72 R HN 0.148 nan 8.270 nan 0.000 0.430 73 V N 1.600 121.564 119.914 0.083 0.000 2.515 73 V HA -0.187 3.933 4.120 0.000 0.000 0.250 73 V C 2.256 178.378 176.094 0.048 0.000 1.058 73 V CA 1.527 63.860 62.300 0.055 0.000 1.064 73 V CB -0.472 31.379 31.823 0.047 0.000 0.675 73 V HN 0.267 nan 8.190 nan 0.000 0.461 74 K N 0.113 120.550 120.400 0.062 0.000 2.209 74 K HA -0.160 4.160 4.320 0.000 0.000 0.204 74 K C 2.143 178.767 176.600 0.040 0.000 1.048 74 K CA 1.362 57.680 56.287 0.052 0.000 0.940 74 K CB -0.230 32.330 32.500 0.100 0.000 0.729 74 K HN 0.577 nan 8.250 nan 0.000 0.451 75 Q N -0.192 119.643 119.800 0.059 0.000 2.212 75 Q HA -0.030 4.310 4.340 0.000 0.000 0.199 75 Q C 1.614 177.615 176.000 0.001 0.000 0.950 75 Q CA 0.637 56.456 55.803 0.027 0.000 0.863 75 Q CB 0.267 29.029 28.738 0.040 0.000 0.944 75 Q HN 0.364 nan 8.270 nan 0.000 0.465 76 E N 0.559 120.767 120.200 0.012 0.000 2.216 76 E HA -0.002 4.348 4.350 0.000 0.000 0.192 76 E C 0.076 176.667 176.600 -0.014 0.000 0.988 76 E CA 0.416 56.817 56.400 0.002 0.000 0.834 76 E CB 0.294 30.003 29.700 0.015 0.000 0.772 76 E HN 0.291 nan 8.360 nan 0.000 0.479 77 N N 1.454 120.144 118.700 -0.017 0.000 2.746 77 N HA 0.116 4.856 4.740 0.000 0.000 0.250 77 N C -2.298 173.164 175.510 -0.080 0.000 1.146 77 N CA -0.984 52.047 53.050 -0.031 0.000 0.828 77 N CB 1.614 40.108 38.487 0.013 0.000 1.158 77 N HN 0.006 nan 8.380 nan 0.000 0.519 78 P HA -0.102 nan 4.420 nan 0.000 0.223 78 P C 0.570 177.703 177.300 -0.278 0.000 1.151 78 P CA 1.221 64.159 63.100 -0.270 0.000 0.787 78 P CB 0.238 31.705 31.700 -0.389 0.000 0.788 79 H N -1.170 117.908 119.070 0.013 0.000 2.539 79 H HA 0.166 4.722 4.556 0.000 0.000 0.269 79 H C 0.804 176.139 175.328 0.012 0.000 0.980 79 H CA -0.771 55.284 56.048 0.011 0.000 1.152 79 H CB -0.459 29.310 29.762 0.012 0.000 1.407 79 H HN 0.105 nan 8.280 nan 0.000 0.564 80 L N 3.091 124.361 121.223 0.078 0.000 2.628 80 L HA -0.070 4.270 4.340 0.000 0.000 0.274 80 L C 0.314 177.199 176.870 0.025 0.000 1.209 80 L CA 0.182 55.053 54.840 0.053 0.000 0.930 80 L CB 0.179 42.254 42.059 0.028 0.000 1.183 80 L HN 0.017 nan 8.230 nan 0.000 0.492 81 D N 4.393 124.808 120.400 0.025 0.000 2.352 81 D HA 0.203 4.843 4.640 0.000 0.000 0.245 81 D C -0.920 175.289 176.300 -0.151 0.000 1.224 81 D CA -0.028 53.953 54.000 -0.032 0.000 0.879 81 D CB 0.466 41.286 40.800 0.034 0.000 1.057 81 D HN 0.224 nan 8.370 nan 0.000 0.491 82 V N 5.488 125.283 119.914 -0.198 0.000 2.384 82 V HA 0.391 4.512 4.120 0.000 0.000 0.287 82 V C 0.174 176.055 176.094 -0.355 0.000 1.020 82 V CA -0.724 61.402 62.300 -0.290 0.000 0.850 82 V CB 1.528 33.207 31.823 -0.240 0.000 0.987 82 V HN 0.359 nan 8.190 nan 0.000 0.436 83 K N 4.034 124.120 120.400 -0.523 0.000 2.507 83 K HA 0.651 4.972 4.320 0.000 0.000 0.252 83 K C -1.520 174.926 176.600 -0.257 0.000 0.943 83 K CA -0.702 55.381 56.287 -0.339 0.000 0.808 83 K CB 2.802 35.005 32.500 -0.495 0.000 1.142 83 K HN 0.404 nan 8.250 nan 0.000 0.426 84 V N 4.514 124.308 119.914 -0.199 0.000 2.347 84 V HA 0.307 4.427 4.120 0.000 0.000 0.280 84 V C -0.641 175.504 176.094 0.084 0.000 1.021 84 V CA -0.915 61.286 62.300 -0.165 0.000 0.847 84 V CB 1.032 32.509 31.823 -0.576 0.000 0.990 84 V HN 0.529 nan 8.190 nan 0.000 0.444 85 L N 7.248 128.572 121.223 0.167 0.000 2.287 85 L HA 0.611 4.951 4.340 0.000 0.000 0.287 85 L C -0.054 176.982 176.870 0.277 0.000 1.022 85 L CA 0.058 55.043 54.840 0.241 0.000 0.814 85 L CB 1.381 43.559 42.059 0.198 0.000 1.217 85 L HN 0.566 nan 8.230 nan 0.000 0.420 86 I N -1.285 119.475 120.570 0.316 0.000 3.108 86 I HA 0.524 4.694 4.170 0.000 0.000 0.312 86 I C -0.447 175.878 176.117 0.347 0.000 1.095 86 I CA -0.907 60.602 61.300 0.348 0.000 1.000 86 I CB 1.782 40.035 38.000 0.422 0.000 1.229 86 I HN 0.441 nan 8.210 nan 0.000 0.454 87 D N 2.791 123.394 120.400 0.339 0.000 2.434 87 D HA -0.030 4.610 4.640 0.000 0.000 0.252 87 D C 1.061 177.575 176.300 0.357 0.000 1.185 87 D CA 0.133 54.336 54.000 0.337 0.000 0.886 87 D CB 0.677 41.653 40.800 0.294 0.000 1.148 87 D HN 0.579 nan 8.370 nan 0.000 0.483 88 W N 5.255 126.636 121.300 0.136 0.000 2.302 88 W HA -0.304 4.356 4.660 0.000 0.000 0.320 88 W C 1.026 177.540 176.519 -0.008 0.000 1.241 88 W CA 1.385 58.745 57.345 0.026 0.000 1.264 88 W CB -0.160 29.227 29.460 -0.121 0.000 1.154 88 W HN 0.691 nan 8.180 nan 0.000 0.483 89 H N -0.226 118.965 119.070 0.202 0.000 2.343 89 H HA -0.091 4.465 4.556 0.000 0.000 0.303 89 H C 2.143 177.475 175.328 0.006 0.000 1.068 89 H CA 1.891 57.962 56.048 0.039 0.000 1.359 89 H CB -0.516 29.345 29.762 0.166 0.000 1.402 89 H HN 0.058 nan 8.280 nan 0.000 0.515 90 R N 1.754 122.385 120.500 0.218 0.000 2.127 90 R HA -0.040 4.300 4.340 0.000 0.000 0.238 90 R C 2.178 178.530 176.300 0.086 0.000 1.134 90 R CA 1.371 57.556 56.100 0.142 0.000 0.975 90 R CB -0.641 29.774 30.300 0.192 0.000 0.865 90 R HN 0.243 nan 8.270 nan 0.000 0.447 91 A N -0.282 122.599 122.820 0.102 0.000 2.168 91 A HA -0.041 4.279 4.320 0.000 0.000 0.215 91 A C 1.228 178.773 177.584 -0.066 0.000 1.152 91 A CA 0.986 53.070 52.037 0.079 0.000 0.716 91 A CB -0.108 19.010 19.000 0.196 0.000 0.794 91 A HN 0.520 nan 8.150 nan 0.000 0.465 92 Q N -0.634 119.093 119.800 -0.121 0.000 2.157 92 Q HA 0.183 4.523 4.340 0.000 0.000 0.229 92 Q C -0.191 175.748 176.000 -0.103 0.000 0.827 92 Q CA -0.239 55.461 55.803 -0.172 0.000 1.055 92 Q CB 0.463 29.004 28.738 -0.327 0.000 1.157 92 Q HN 0.795 nan 8.270 nan 0.000 0.482 93 R N -1.400 119.061 120.500 -0.065 0.000 2.817 93 R HA 0.479 4.819 4.340 0.000 0.000 0.268 93 R C -0.899 175.368 176.300 -0.054 0.000 1.027 93 R CA -0.901 55.171 56.100 -0.046 0.000 0.928 93 R CB 0.907 31.197 30.300 -0.017 0.000 1.228 93 R HN -0.181 nan 8.270 nan 0.000 0.469 94 N N 0.453 119.124 118.700 -0.048 0.000 2.476 94 N HA 0.257 4.997 4.740 0.000 0.000 0.275 94 N C -0.078 175.402 175.510 -0.050 0.000 1.190 94 N CA -0.571 52.446 53.050 -0.055 0.000 0.977 94 N CB 0.779 39.238 38.487 -0.047 0.000 1.200 94 N HN 0.289 nan 8.380 nan 0.000 0.515 99 E N 0.054 120.239 120.200 -0.025 0.000 2.383 99 E HA 0.543 4.894 4.350 0.000 0.000 0.264 99 E C 0.260 176.843 176.600 -0.028 0.000 1.050 99 E CA 0.140 56.525 56.400 -0.025 0.000 0.896 99 E CB 0.111 29.796 29.700 -0.024 0.000 0.982 99 E HN 2.055 nan 8.360 nan 0.000 0.424 100 K N 1.856 122.240 120.400 -0.025 0.000 2.220 100 K HA 0.486 4.806 4.320 0.000 0.000 0.283 100 K C 0.497 177.079 176.600 -0.030 0.000 1.098 100 K CA 0.147 56.418 56.287 -0.027 0.000 0.928 100 K CB -0.492 31.994 32.500 -0.023 0.000 1.214 100 K HN 1.027 nan 8.250 nan 0.000 0.442 101 S N 0.175 115.853 115.700 -0.037 0.000 2.721 101 S HA 0.822 5.292 4.470 0.000 0.000 0.296 101 S C 0.655 175.229 174.600 -0.044 0.000 1.093 101 S CA -0.118 58.059 58.200 -0.038 0.000 0.959 101 S CB 0.939 64.114 63.200 -0.043 0.000 1.301 101 S HN 1.350 nan 8.310 nan 0.000 0.550 102 A N 1.897 124.691 122.820 -0.043 0.000 2.520 102 A HA 0.492 4.812 4.320 0.000 0.000 0.245 102 A C 0.981 178.523 177.584 -0.069 0.000 1.072 102 A CA 0.112 52.121 52.037 -0.046 0.000 0.761 102 A CB -1.047 17.939 19.000 -0.022 0.000 1.004 102 A HN 1.096 nan 8.150 nan 0.000 0.499 103 T N 1.012 115.516 114.554 -0.084 0.000 2.726 103 T HA 0.116 4.466 4.350 0.000 0.000 0.294 103 T C 1.090 175.695 174.700 -0.158 0.000 1.013 103 T CA -0.084 61.950 62.100 -0.111 0.000 0.996 103 T CB 0.283 69.080 68.868 -0.118 0.000 1.016 103 T HN 0.560 nan 8.240 nan 0.000 0.529 104 N N 0.747 119.328 118.700 -0.199 0.000 2.104 104 N HA -0.095 4.646 4.740 0.000 0.000 0.190 104 N C 2.201 177.175 175.510 -0.893 0.000 1.024 104 N CA 1.580 54.398 53.050 -0.386 0.000 0.853 104 N CB -1.119 37.244 38.487 -0.207 0.000 1.008 104 N HN 0.819 nan 8.380 nan 0.000 0.424 105 A N 1.273 123.772 122.820 -0.535 0.000 1.933 105 A HA -0.146 4.174 4.320 0.000 0.000 0.218 105 A C 1.763 179.183 177.584 -0.273 0.000 1.175 105 A CA 1.565 53.383 52.037 -0.365 0.000 0.628 105 A CB -0.384 18.528 19.000 -0.147 0.000 0.814 105 A HN 0.137 nan 8.150 nan 0.000 0.444 106 D N -1.309 118.973 120.400 -0.197 0.000 2.123 106 D HA -0.192 4.448 4.640 0.000 0.000 0.196 106 D C 1.562 177.812 176.300 -0.083 0.000 0.992 106 D CA 1.427 55.362 54.000 -0.108 0.000 0.833 106 D CB -0.485 40.276 40.800 -0.065 0.000 0.954 106 D HN 0.774 nan 8.370 nan 0.000 0.455 107 W N 1.199 122.299 121.300 -0.333 0.000 2.358 107 W HA -0.237 4.423 4.660 0.000 0.000 0.303 107 W C 1.846 178.205 176.519 -0.268 0.000 1.208 107 W CA 1.226 58.395 57.345 -0.293 0.000 1.274 107 W CB -0.619 28.648 29.460 -0.322 0.000 1.138 107 W HN -0.056 nan 8.180 nan 0.000 0.515 108 Y N -0.033 119.958 120.300 -0.516 0.000 2.181 108 Y HA -0.225 4.325 4.550 0.000 0.000 0.288 108 Y C 2.822 178.455 175.900 -0.444 0.000 1.146 108 Y CA 1.256 58.874 58.100 -0.803 0.000 1.164 108 Y CB -1.746 36.184 38.460 -0.884 0.000 0.982 108 Y HN -0.064 nan 8.280 nan 0.000 0.515 109 C N 0.040 119.261 119.300 -0.131 0.000 2.413 109 C HA -0.225 4.235 4.460 0.000 0.000 0.276 109 C C 2.707 177.637 174.990 -0.100 0.000 1.236 109 C CA 1.402 60.369 59.018 -0.086 0.000 1.735 109 C CB -1.057 26.647 27.740 -0.060 0.000 2.031 109 C HN 0.619 nan 8.230 nan 0.000 0.474 110 E N 0.227 120.356 120.200 -0.117 0.000 2.085 110 E HA -0.248 4.102 4.350 0.000 0.000 0.194 110 E C 2.235 178.771 176.600 -0.107 0.000 0.994 110 E CA 1.237 57.590 56.400 -0.078 0.000 0.801 110 E CB -0.109 29.577 29.700 -0.024 0.000 0.743 110 E HN 0.588 nan 8.360 nan 0.000 0.453 111 Q N 0.097 119.749 119.800 -0.247 0.000 2.119 111 Q HA -0.156 4.184 4.340 0.000 0.000 0.201 111 Q C 2.223 178.153 176.000 -0.117 0.000 0.972 111 Q CA 1.160 56.810 55.803 -0.255 0.000 0.847 111 Q CB -0.345 28.083 28.738 -0.517 0.000 0.903 111 Q HN 0.308 nan 8.270 nan 0.000 0.433 112 R N 0.852 121.309 120.500 -0.073 0.000 2.092 112 R HA -0.107 4.233 4.340 0.000 0.000 0.231 112 R C 1.955 178.236 176.300 -0.031 0.000 1.119 112 R CA 1.125 57.221 56.100 -0.006 0.000 0.970 112 R CB 0.091 30.395 30.300 0.006 0.000 0.864 112 R HN 0.273 nan 8.270 nan 0.000 0.440 113 Q N -0.721 119.058 119.800 -0.035 0.000 2.224 113 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 113 Q C 1.382 177.369 176.000 -0.022 0.000 0.970 113 Q CA 1.928 57.715 55.803 -0.027 0.000 0.865 113 Q CB 0.310 29.034 28.738 -0.023 0.000 0.922 113 Q HN 0.365 nan 8.270 nan 0.000 0.445 114 T N -1.325 113.236 114.554 0.011 0.000 3.044 114 T HA 0.019 4.369 4.350 0.000 0.000 0.255 114 T C 0.664 175.373 174.700 0.016 0.000 1.073 114 T CA 0.609 62.745 62.100 0.061 0.000 1.125 114 T CB 0.114 69.095 68.868 0.187 0.000 0.908 114 T HN 0.298 nan 8.240 nan 0.000 0.480 115 Y N 0.407 120.506 120.300 -0.335 0.000 2.557 115 Y HA 0.478 5.028 4.550 0.000 0.000 0.247 115 Y C 0.768 176.412 175.900 -0.428 0.000 1.164 115 Y CA -0.654 57.124 58.100 -0.536 0.000 1.218 115 Y CB 0.910 38.645 38.460 -1.209 0.000 1.210 115 Y HN 0.076 nan 8.280 nan 0.000 0.529 116 Q N 0.085 119.805 119.800 -0.134 0.000 2.575 116 Q HA 0.689 5.029 4.340 0.000 0.000 0.290 116 Q C -1.408 174.561 176.000 -0.051 0.000 0.963 116 Q CA -0.585 55.175 55.803 -0.071 0.000 0.783 116 Q CB 1.955 30.685 28.738 -0.013 0.000 1.467 116 Q HN 0.092 nan 8.270 nan 0.000 0.402 117 L N 1.124 122.326 121.223 -0.036 0.000 2.379 117 L HA 0.610 4.950 4.340 0.000 0.000 0.269 117 L C -1.982 174.875 176.870 -0.023 0.000 1.084 117 L CA -1.309 53.512 54.840 -0.031 0.000 0.802 117 L CB -0.416 41.626 42.059 -0.029 0.000 1.175 117 L HN 0.713 nan 8.230 nan 0.000 0.448 118 P HA 0.038 nan 4.420 nan 0.000 0.220 118 P C 1.035 178.324 177.300 -0.018 0.000 1.148 118 P CA 1.694 64.782 63.100 -0.020 0.000 0.803 118 P CB -0.003 31.686 31.700 -0.018 0.000 0.782 119 D N -1.260 119.130 120.400 -0.017 0.000 2.328 119 D HA 0.014 4.654 4.640 0.000 0.000 0.226 119 D C 0.344 176.636 176.300 -0.014 0.000 1.066 119 D CA -0.027 53.963 54.000 -0.016 0.000 0.861 119 D CB -0.585 40.207 40.800 -0.014 0.000 0.912 119 D HN 0.158 nan 8.370 nan 0.000 0.521 120 D N 0.897 121.289 120.400 -0.013 0.000 2.358 120 D HA 0.318 4.958 4.640 0.000 0.000 0.244 120 D C -1.887 174.406 176.300 -0.012 0.000 1.163 120 D CA -1.642 52.353 54.000 -0.008 0.000 0.945 120 D CB 1.033 41.832 40.800 -0.002 0.000 1.152 120 D HN 0.168 nan 8.370 nan 0.000 0.451 121 P HA 0.029 nan 4.420 nan 0.000 0.269 121 P C -0.130 177.152 177.300 -0.030 0.000 1.209 121 P CA -0.288 62.808 63.100 -0.006 0.000 0.776 121 P CB 0.745 32.450 31.700 0.007 0.000 0.876 125 F N 1.392 121.385 119.950 0.072 0.000 2.520 125 F HA 0.746 5.274 4.527 0.000 0.000 0.322 125 F C 0.572 176.506 175.800 0.224 0.000 1.103 125 F CA -1.215 56.875 58.000 0.151 0.000 0.926 125 F CB 2.322 41.384 39.000 0.103 0.000 1.154 125 F HN 0.516 nan 8.300 nan 0.000 0.453 126 G N 1.894 110.993 108.800 0.497 0.000 2.335 126 G HA2 0.549 4.509 3.960 0.000 0.000 0.316 126 G HA3 0.549 4.509 3.960 0.000 0.000 0.316 126 G C -1.481 173.677 174.900 0.430 0.000 1.129 126 G CA -0.580 44.862 45.100 0.570 0.000 0.899 126 G HN 0.462 nan 8.290 nan 0.000 0.448 127 V N 5.234 125.355 119.914 0.344 0.000 2.328 127 V HA 0.347 4.467 4.120 0.000 0.000 0.278 127 V C -2.031 174.218 176.094 0.259 0.000 1.021 127 V CA -1.593 60.831 62.300 0.207 0.000 0.838 127 V CB 1.805 33.768 31.823 0.234 0.000 0.999 127 V HN 0.654 nan 8.190 nan 0.000 0.447 128 P HA 0.344 nan 4.420 nan 0.000 0.291 128 P C 0.522 178.012 177.300 0.316 0.000 1.378 128 P CA -0.288 62.903 63.100 0.151 0.000 0.853 128 P CB 1.227 32.790 31.700 -0.227 0.000 1.002 129 I N 1.207 121.990 120.570 0.354 0.000 2.928 129 I HA 0.070 4.240 4.170 0.000 0.000 0.266 129 I C 0.871 177.147 176.117 0.266 0.000 1.234 129 I CA 1.120 62.599 61.300 0.299 0.000 1.483 129 I CB -0.843 37.311 38.000 0.258 0.000 1.097 129 I HN 0.411 nan 8.210 nan 0.000 0.455 130 N N -0.893 118.002 118.700 0.326 0.000 3.020 130 N HA 0.101 4.841 4.740 0.000 0.000 0.248 130 N C 0.766 176.509 175.510 0.388 0.000 1.480 130 N CA 0.442 53.666 53.050 0.289 0.000 0.874 130 N CB 1.372 40.014 38.487 0.258 0.000 1.433 130 N HN -0.090 nan 8.380 nan 0.000 0.530 131 T N -1.854 112.873 114.554 0.289 0.000 3.067 131 T HA 0.263 4.613 4.350 0.000 0.000 0.261 131 T C 0.438 175.310 174.700 0.286 0.000 1.110 131 T CA 0.752 63.039 62.100 0.312 0.000 1.113 131 T CB 0.252 69.233 68.868 0.188 0.000 0.917 131 T HN 0.194 nan 8.240 nan 0.000 0.499 132 R N 0.644 121.223 120.500 0.132 0.000 2.673 132 R HA 0.390 4.730 4.340 0.000 0.000 0.281 132 R C 0.597 176.752 176.300 -0.241 0.000 0.991 132 R CA -0.543 55.490 56.100 -0.112 0.000 0.896 132 R CB 1.837 32.234 30.300 0.161 0.000 1.201 132 R HN 0.227 nan 8.270 nan 0.000 0.457 133 E N 1.342 121.233 120.200 -0.515 0.000 2.110 133 E HA -0.130 4.220 4.350 0.000 0.000 0.193 133 E C 1.257 177.804 176.600 -0.090 0.000 0.988 133 E CA 1.154 57.413 56.400 -0.234 0.000 0.804 133 E CB 0.319 29.942 29.700 -0.129 0.000 0.745 133 E HN 0.349 nan 8.360 nan 0.000 0.458 134 V N 0.225 120.036 119.914 -0.171 0.000 2.453 134 V HA -0.248 3.872 4.120 0.000 0.000 0.252 134 V C 1.441 177.314 176.094 -0.368 0.000 1.068 134 V CA 1.704 63.813 62.300 -0.319 0.000 1.070 134 V CB -0.411 31.100 31.823 -0.520 0.000 0.664 134 V HN 0.314 nan 8.190 nan 0.000 0.461 135 F N -0.406 119.557 119.950 0.021 0.000 2.641 135 F HA 0.550 5.077 4.527 0.000 0.000 0.302 135 F C 0.910 176.753 175.800 0.073 0.000 1.098 135 F CA 0.582 58.610 58.000 0.046 0.000 1.318 135 F CB 0.730 39.754 39.000 0.040 0.000 1.035 135 F HN 0.193 nan 8.300 nan 0.000 0.551 136 G N 0.612 109.530 108.800 0.196 0.000 2.146 136 G HA2 0.397 4.357 3.960 0.000 0.000 0.261 136 G HA3 0.397 4.357 3.960 0.000 0.000 0.261 136 G C -1.668 173.351 174.900 0.198 0.000 1.745 136 G CA -0.602 44.614 45.100 0.193 0.000 0.905 136 G HN 0.191 nan 8.290 nan 0.000 0.746 137 V N 0.258 120.268 119.914 0.160 0.000 3.074 137 V HA 0.892 5.012 4.120 0.000 0.000 0.314 137 V C 0.011 176.156 176.094 0.084 0.000 1.117 137 V CA -1.498 60.876 62.300 0.124 0.000 1.014 137 V CB 1.927 33.755 31.823 0.007 0.000 1.057 137 V HN 1.288 nan 8.190 nan 0.000 0.438 138 L N 2.042 123.332 121.223 0.112 0.000 2.433 138 L HA 0.426 4.766 4.340 0.000 0.000 0.284 138 L C 0.401 177.310 176.870 0.064 0.000 1.120 138 L CA 0.908 55.842 54.840 0.156 0.000 0.879 138 L CB -0.822 41.372 42.059 0.225 0.000 1.232 138 L HN 0.821 nan 8.230 nan 0.000 0.454 139 H N 2.337 121.534 119.070 0.212 0.000 2.528 139 H HA 0.275 4.831 4.556 0.000 0.000 0.282 139 H C 0.008 175.428 175.328 0.152 0.000 1.097 139 H CA -0.584 55.565 56.048 0.168 0.000 1.121 139 H CB 0.554 30.398 29.762 0.136 0.000 1.590 139 H HN 0.396 nan 8.280 nan 0.000 0.553 140 V N 2.356 122.455 119.914 0.308 0.000 2.637 140 V HA 0.029 4.149 4.120 0.000 0.000 0.296 140 V C 0.325 176.541 176.094 0.203 0.000 1.046 140 V CA 0.170 62.649 62.300 0.299 0.000 1.066 140 V CB 0.853 32.909 31.823 0.388 0.000 0.968 140 V HN 0.249 nan 8.190 nan 0.000 0.483 141 K N 2.405 122.871 120.400 0.110 0.000 2.350 141 K HA 0.871 5.191 4.320 0.000 0.000 0.241 141 K C -0.002 176.541 176.600 -0.094 0.000 0.994 141 K CA -0.254 55.950 56.287 -0.138 0.000 0.839 141 K CB 2.073 34.208 32.500 -0.609 0.000 1.244 141 K HN 1.073 nan 8.250 nan 0.000 0.443 142 G N 1.000 109.675 108.800 -0.207 0.000 2.634 142 G HA2 0.197 4.158 3.960 0.000 0.000 0.568 142 G HA3 0.197 4.158 3.960 0.000 0.000 0.568 142 G C -1.730 173.312 174.900 0.237 0.000 1.495 142 G CA -1.010 44.077 45.100 -0.022 0.000 0.903 142 G HN 0.122 nan 8.290 nan 0.000 0.646 143 F N 0.805 120.781 119.950 0.043 0.000 2.495 143 F HA 0.746 5.274 4.527 0.000 0.000 0.327 143 F C 0.395 176.071 175.800 -0.207 0.000 1.103 143 F CA -1.879 56.049 58.000 -0.119 0.000 0.949 143 F CB 2.259 41.203 39.000 -0.094 0.000 1.142 143 F HN 0.354 nan 8.300 nan 0.000 0.457 144 V N 4.058 123.874 119.914 -0.164 0.000 2.444 144 V HA 0.460 4.580 4.120 0.000 0.000 0.294 144 V C -0.983 174.906 176.094 -0.342 0.000 1.022 144 V CA -0.814 61.420 62.300 -0.109 0.000 0.850 144 V CB 1.497 33.339 31.823 0.031 0.000 0.992 144 V HN 0.477 nan 8.190 nan 0.000 0.426 145 F N 3.125 123.179 119.950 0.173 0.000 2.434 145 F HA 0.529 5.056 4.527 0.000 0.000 0.355 145 F C 0.754 176.618 175.800 0.107 0.000 1.115 145 F CA -0.592 57.486 58.000 0.130 0.000 1.010 145 F CB 1.145 40.207 39.000 0.103 0.000 1.234 145 F HN 0.559 nan 8.300 nan 0.000 0.439 146 D N 0.652 121.191 120.400 0.231 0.000 4.049 146 D HA -0.308 4.332 4.640 0.000 0.000 0.154 146 D C 0.591 176.969 176.300 0.129 0.000 0.764 146 D CA 1.965 56.060 54.000 0.158 0.000 1.058 146 D CB -0.442 40.442 40.800 0.140 0.000 0.472 146 D HN 0.507 nan 8.370 nan 0.000 0.449 147 D N 0.246 120.715 120.400 0.115 0.000 2.368 147 D HA 0.187 4.827 4.640 0.000 0.000 0.218 147 D C -0.332 176.037 176.300 0.115 0.000 1.112 147 D CA 0.421 54.474 54.000 0.089 0.000 0.834 147 D CB 0.272 41.100 40.800 0.047 0.000 0.953 147 D HN 0.075 nan 8.370 nan 0.000 0.505 148 T N 0.402 115.060 114.554 0.172 0.000 2.792 148 T HA 0.386 4.736 4.350 0.000 0.000 0.280 148 T C 0.047 174.905 174.700 0.263 0.000 0.990 148 T CA -0.509 61.712 62.100 0.202 0.000 0.960 148 T CB 2.537 71.530 68.868 0.209 0.000 0.939 148 T HN -0.298 nan 8.240 nan 0.000 0.439 149 V N 4.558 124.595 119.914 0.205 0.000 2.407 149 V HA 0.441 4.561 4.120 0.000 0.000 0.278 149 V C -0.390 175.848 176.094 0.240 0.000 1.037 149 V CA -0.779 61.644 62.300 0.205 0.000 0.900 149 V CB 1.313 33.212 31.823 0.126 0.000 0.983 149 V HN 0.615 nan 8.190 nan 0.000 0.459 150 L N 6.563 127.974 121.223 0.314 0.000 2.294 150 L HA 0.522 4.862 4.340 0.000 0.000 0.283 150 L C -1.148 175.775 176.870 0.089 0.000 1.015 150 L CA -0.396 54.611 54.840 0.279 0.000 0.831 150 L CB 0.946 43.294 42.059 0.481 0.000 1.217 150 L HN 0.623 nan 8.230 nan 0.000 0.420 151 Y N 4.134 124.397 120.300 -0.062 0.000 2.335 151 Y HA 0.722 5.272 4.550 0.000 0.000 0.338 151 Y C -0.278 175.490 175.900 -0.220 0.000 0.977 151 Y CA 0.047 58.042 58.100 -0.174 0.000 1.114 151 Y CB 1.642 40.011 38.460 -0.152 0.000 1.182 151 Y HN 0.711 nan 8.280 nan 0.000 0.463 152 S N 2.342 117.600 115.700 -0.738 0.000 2.552 152 S HA 0.404 4.874 4.470 0.000 0.000 0.272 152 S C 0.385 174.599 174.600 -0.643 0.000 1.150 152 S CA -0.133 57.709 58.200 -0.596 0.000 0.849 152 S CB 0.856 63.699 63.200 -0.595 0.000 1.113 152 S HN 1.001 nan 8.310 nan 0.000 0.458 153 G N 1.102 109.613 108.800 -0.482 0.000 2.744 153 G HA2 0.403 4.363 3.960 0.000 0.000 0.211 153 G HA3 0.403 4.363 3.960 0.000 0.000 0.211 153 G C 0.595 175.295 174.900 -0.332 0.000 1.143 153 G CA 0.519 45.420 45.100 -0.333 0.000 0.788 153 G HN 1.092 nan 8.290 nan 0.000 0.534 154 A N 0.187 122.708 122.820 -0.498 0.000 2.388 154 A HA 0.665 4.985 4.320 0.000 0.000 0.257 154 A C 0.604 177.774 177.584 -0.690 0.000 1.095 154 A CA -0.117 51.392 52.037 -0.880 0.000 0.791 154 A CB 0.651 19.360 19.000 -0.485 0.000 1.029 154 A HN 0.220 nan 8.150 nan 0.000 0.489 155 S N 0.205 115.227 115.700 -1.129 0.000 2.719 155 S HA 0.551 5.021 4.470 0.000 0.000 0.285 155 S C -0.013 174.451 174.600 -0.227 0.000 1.137 155 S CA -0.448 57.426 58.200 -0.544 0.000 1.012 155 S CB 0.465 63.099 63.200 -0.945 0.000 1.134 155 S HN 0.521 nan 8.310 nan 0.000 0.544 156 I N 3.832 124.271 120.570 -0.218 0.000 2.306 156 I HA 0.406 4.576 4.170 0.000 0.000 0.288 156 I C -0.107 175.997 176.117 -0.023 0.000 1.036 156 I CA -0.223 60.941 61.300 -0.227 0.000 1.221 156 I CB -0.729 36.797 38.000 -0.790 0.000 1.385 156 I HN 0.680 nan 8.210 nan 0.000 0.472 157 N N 4.477 123.251 118.700 0.124 0.000 3.308 157 N HA 0.213 4.953 4.740 0.000 0.000 0.276 157 N C 0.142 175.736 175.510 0.139 0.000 1.533 157 N CA -0.644 52.510 53.050 0.174 0.000 0.878 157 N CB 0.212 38.886 38.487 0.313 0.000 1.566 157 N HN 0.028 nan 8.380 nan 0.000 0.546 158 N N -0.487 118.282 118.700 0.115 0.000 2.036 158 N HA -0.139 4.601 4.740 0.000 0.000 0.195 158 N C 1.664 177.242 175.510 0.114 0.000 1.037 158 N CA 2.448 55.553 53.050 0.091 0.000 0.855 158 N CB -0.683 37.902 38.487 0.164 0.000 1.033 158 N HN 0.552 nan 8.380 nan 0.000 0.423 159 V N -1.529 118.436 119.914 0.086 0.000 2.358 159 V HA -0.160 3.960 4.120 0.000 0.000 0.246 159 V C 1.790 177.929 176.094 0.075 0.000 1.047 159 V CA 1.282 63.602 62.300 0.033 0.000 1.035 159 V CB -1.386 30.383 31.823 -0.091 0.000 0.658 159 V HN 0.198 nan 8.190 nan 0.000 0.452 160 Y N 0.011 120.401 120.300 0.149 0.000 2.333 160 Y HA -0.013 4.537 4.550 0.000 0.000 0.290 160 Y C 2.118 178.179 175.900 0.269 0.000 1.144 160 Y CA 1.201 59.421 58.100 0.200 0.000 1.228 160 Y CB 0.059 38.623 38.460 0.172 0.000 0.985 160 Y HN 0.276 nan 8.280 nan 0.000 0.542 161 L N -1.484 119.940 121.223 0.335 0.000 2.693 161 L HA 0.097 4.438 4.340 0.000 0.000 0.235 161 L C 0.292 177.298 176.870 0.227 0.000 1.127 161 L CA 0.537 55.518 54.840 0.236 0.000 0.914 161 L CB -1.010 41.096 42.059 0.079 0.000 1.193 161 L HN 0.258 nan 8.230 nan 0.000 0.502 162 H N -0.872 118.279 119.070 0.135 0.000 2.770 162 H HA -0.308 4.248 4.556 0.000 0.000 0.309 162 H C 1.758 177.081 175.328 -0.009 0.000 1.206 162 H CA 0.325 56.441 56.048 0.115 0.000 1.147 162 H CB -0.134 29.694 29.762 0.109 0.000 1.422 162 H HN 0.390 nan 8.280 nan 0.000 0.420 163 Q N 0.160 119.974 119.800 0.024 0.000 2.030 163 Q HA -0.077 4.263 4.340 0.000 0.000 0.204 163 Q C 0.557 176.236 176.000 -0.535 0.000 0.986 163 Q CA 2.493 58.078 55.803 -0.362 0.000 0.843 163 Q CB 0.057 28.447 28.738 -0.580 0.000 0.904 163 Q HN 0.609 nan 8.270 nan 0.000 0.420 164 F N -2.036 117.999 119.950 0.140 0.000 2.935 164 F HA 0.419 4.946 4.527 0.000 0.000 0.167 164 F C 2.339 178.249 175.800 0.184 0.000 1.379 164 F CA 0.055 58.122 58.000 0.112 0.000 0.910 164 F CB -0.630 38.420 39.000 0.084 0.000 2.105 164 F HN 0.055 nan 8.300 nan 0.000 0.514 165 E N 0.618 121.069 120.200 0.418 0.000 2.230 165 E HA 0.042 4.392 4.350 0.000 0.000 0.192 165 E C 0.619 177.456 176.600 0.395 0.000 0.987 165 E CA 0.494 57.101 56.400 0.345 0.000 0.841 165 E CB -0.312 29.516 29.700 0.214 0.000 0.783 165 E HN 0.293 nan 8.360 nan 0.000 0.481 166 K N 0.014 120.599 120.400 0.307 0.000 2.156 166 K HA 0.498 4.819 4.320 0.000 0.000 0.271 166 K C -0.857 175.779 176.600 0.060 0.000 0.995 166 K CA -0.812 55.552 56.287 0.128 0.000 0.890 166 K CB 0.836 33.383 32.500 0.078 0.000 1.073 166 K HN 0.411 nan 8.250 nan 0.000 0.454 167 Y N 0.388 120.561 120.300 -0.213 0.000 2.598 167 Y HA 0.563 5.113 4.550 0.000 0.000 0.340 167 Y C -1.059 174.795 175.900 -0.076 0.000 1.038 167 Y CA -1.396 56.566 58.100 -0.230 0.000 1.100 167 Y CB 1.139 39.306 38.460 -0.489 0.000 1.281 167 Y HN 0.474 nan 8.280 nan 0.000 0.488 168 R N 2.534 123.080 120.500 0.077 0.000 2.360 168 R HA 0.315 4.655 4.340 0.000 0.000 0.318 168 R C -1.921 174.551 176.300 0.286 0.000 0.950 168 R CA -0.771 55.307 56.100 -0.036 0.000 0.837 168 R CB 0.685 30.722 30.300 -0.438 0.000 1.165 168 R HN 0.827 nan 8.270 nan 0.000 0.458 169 Y N 3.553 123.879 120.300 0.043 0.000 2.377 169 Y HA 0.243 4.793 4.550 0.000 0.000 0.330 169 Y C -0.279 175.533 175.900 -0.147 0.000 1.108 169 Y CA 0.121 58.233 58.100 0.021 0.000 1.308 169 Y CB 0.603 38.880 38.460 -0.304 0.000 1.216 169 Y HN 0.714 nan 8.280 nan 0.000 0.518 170 D N 3.514 123.735 120.400 -0.298 0.000 2.752 170 D HA 0.444 5.084 4.640 0.000 0.000 0.313 170 D C -1.151 174.418 176.300 -1.219 0.000 1.225 170 D CA -0.683 52.935 54.000 -0.637 0.000 0.976 170 D CB 1.814 42.413 40.800 -0.336 0.000 1.443 170 D HN 0.550 nan 8.370 nan 0.000 0.515 171 R N -0.029 119.746 120.500 -1.208 0.000 2.778 171 R HA 0.633 4.973 4.340 0.000 0.000 0.277 171 R C -1.151 174.415 176.300 -1.222 0.000 0.977 171 R CA -0.736 54.711 56.100 -1.087 0.000 0.950 171 R CB 1.769 31.782 30.300 -0.478 0.000 1.165 171 R HN 0.342 nan 8.270 nan 0.000 0.474 172 Y N 0.057 120.279 120.300 -0.129 0.000 2.362 172 Y HA 0.309 4.859 4.550 0.000 0.000 0.326 172 Y C -0.952 174.937 175.900 -0.018 0.000 1.083 172 Y CA -1.166 56.847 58.100 -0.145 0.000 1.073 172 Y CB 1.962 40.313 38.460 -0.182 0.000 1.211 172 Y HN 0.333 nan 8.280 nan 0.000 0.433 173 Q N 2.341 122.186 119.800 0.076 0.000 2.321 173 Q HA 0.422 4.762 4.340 0.000 0.000 0.270 173 Q C -1.038 174.968 176.000 0.010 0.000 1.032 173 Q CA -0.852 54.908 55.803 -0.072 0.000 0.784 173 Q CB 2.716 31.299 28.738 -0.257 0.000 1.264 173 Q HN 0.431 nan 8.270 nan 0.000 0.448 174 K N 3.335 123.735 120.400 0.000 0.000 2.263 174 K HA 0.474 4.794 4.320 0.000 0.000 0.272 174 K C -1.033 175.568 176.600 0.000 0.000 1.033 174 K CA -0.377 55.941 56.287 0.052 0.000 0.884 174 K CB 0.560 33.104 32.500 0.073 0.000 1.107 174 K HN 0.657 nan 8.250 nan 0.000 0.460 175 I N 3.386 123.974 120.570 0.031 0.000 2.382 175 I HA 0.125 4.296 4.170 0.000 0.000 0.285 175 I C -0.144 176.023 176.117 0.083 0.000 1.007 175 I CA -0.561 60.752 61.300 0.022 0.000 1.142 175 I CB 1.999 39.990 38.000 -0.015 0.000 1.289 175 I HN 0.396 nan 8.210 nan 0.000 0.453 176 T N 4.998 119.602 114.554 0.084 0.000 2.997 176 T HA 0.218 4.568 4.350 0.000 0.000 0.311 176 T C -0.417 174.356 174.700 0.121 0.000 1.079 176 T CA -0.035 62.120 62.100 0.091 0.000 0.982 176 T CB -0.589 68.315 68.868 0.060 0.000 1.032 176 T HN 0.371 nan 8.240 nan 0.000 0.581 177 H N 1.604 120.690 119.070 0.027 0.000 3.181 177 H HA 0.419 4.975 4.556 0.000 0.000 0.331 177 H C 0.589 175.931 175.328 0.023 0.000 0.988 177 H CA -0.467 55.592 56.048 0.018 0.000 1.449 177 H CB 1.454 31.219 29.762 0.005 0.000 1.749 177 H HN 0.509 nan 8.280 nan 0.000 0.501 178 A N 3.574 126.308 122.820 -0.143 0.000 1.933 178 A HA -0.176 4.144 4.320 0.000 0.000 0.218 178 A C 2.074 179.687 177.584 0.049 0.000 1.175 178 A CA 1.891 53.907 52.037 -0.034 0.000 0.628 178 A CB -0.208 18.748 19.000 -0.073 0.000 0.814 178 A HN 0.797 nan 8.150 nan 0.000 0.444 179 E N -0.811 119.456 120.200 0.113 0.000 2.072 179 E HA -0.156 4.194 4.350 0.000 0.000 0.191 179 E C 1.892 178.602 176.600 0.184 0.000 0.985 179 E CA 1.083 57.594 56.400 0.185 0.000 0.801 179 E CB -0.176 29.675 29.700 0.251 0.000 0.750 179 E HN 0.454 nan 8.360 nan 0.000 0.452 180 L N 0.719 122.103 121.223 0.269 0.000 2.017 180 L HA -0.119 4.221 4.340 0.000 0.000 0.208 180 L C 2.209 179.122 176.870 0.072 0.000 1.073 180 L CA 2.199 57.087 54.840 0.081 0.000 0.745 180 L CB -0.731 41.327 42.059 -0.001 0.000 0.894 180 L HN 0.165 nan 8.230 nan 0.000 0.432 181 A N -0.747 122.133 122.820 0.099 0.000 1.908 181 A HA -0.250 4.070 4.320 0.000 0.000 0.218 181 A C 1.998 179.601 177.584 0.032 0.000 1.181 181 A CA 2.032 54.110 52.037 0.068 0.000 0.627 181 A CB -0.931 18.115 19.000 0.076 0.000 0.818 181 A HN 0.541 nan 8.150 nan 0.000 0.445 182 D N -0.047 120.374 120.400 0.035 0.000 2.117 182 D HA -0.031 4.609 4.640 0.000 0.000 0.197 182 D C 1.562 177.880 176.300 0.029 0.000 0.987 182 D CA 1.099 55.105 54.000 0.009 0.000 0.829 182 D CB -0.560 40.252 40.800 0.021 0.000 0.961 182 D HN 0.363 nan 8.370 nan 0.000 0.460 186 N N 0.852 119.494 118.700 -0.097 0.000 2.104 186 N HA -0.121 4.619 4.740 0.000 0.000 0.190 186 N C 1.538 177.007 175.510 -0.068 0.000 1.024 186 N CA 2.146 55.152 53.050 -0.074 0.000 0.853 186 N CB -0.371 38.108 38.487 -0.013 0.000 1.008 186 N HN 0.559 nan 8.380 nan 0.000 0.424 187 F N 1.954 121.826 119.950 -0.130 0.000 2.126 187 F HA -0.140 4.388 4.527 0.000 0.000 0.299 187 F C 1.991 177.680 175.800 -0.185 0.000 1.096 187 F CA 1.063 58.935 58.000 -0.213 0.000 1.255 187 F CB -0.142 38.489 39.000 -0.616 0.000 0.997 187 F HN -0.091 nan 8.300 nan 0.000 0.479 188 I N 0.635 121.115 120.570 -0.150 0.000 2.127 188 I HA -0.354 3.817 4.170 0.000 0.000 0.241 188 I C 2.244 178.194 176.117 -0.278 0.000 1.075 188 I CA 1.627 62.823 61.300 -0.174 0.000 1.334 188 I CB -1.590 36.407 38.000 -0.004 0.000 1.040 188 I HN 0.280 nan 8.210 nan 0.000 0.405 189 N N 0.807 119.367 118.700 -0.233 0.000 2.120 189 N HA -0.166 4.574 4.740 0.000 0.000 0.188 189 N C 1.351 176.654 175.510 -0.346 0.000 1.024 189 N CA 1.464 54.375 53.050 -0.232 0.000 0.852 189 N CB -0.076 38.319 38.487 -0.153 0.000 1.003 189 N HN 0.411 nan 8.380 nan 0.000 0.424 190 D N -0.958 119.183 120.400 -0.433 0.000 2.271 190 D HA -0.019 4.621 4.640 0.000 0.000 0.206 190 D C 1.133 176.916 176.300 -0.862 0.000 0.967 190 D CA 0.882 54.509 54.000 -0.621 0.000 0.867 190 D CB 0.100 40.477 40.800 -0.705 0.000 0.960 190 D HN 0.329 nan 8.370 nan 0.000 0.509 191 Y N -0.253 119.674 120.300 -0.621 0.000 2.673 191 Y HA 0.269 4.819 4.550 0.000 0.000 0.278 191 Y C 2.170 177.708 175.900 -0.604 0.000 1.127 191 Y CA -0.055 57.616 58.100 -0.714 0.000 1.261 191 Y CB 0.052 37.827 38.460 -1.141 0.000 1.412 191 Y HN -0.203 nan 8.280 nan 0.000 0.496 192 L N -0.171 120.722 121.223 -0.551 0.000 2.179 192 L HA -0.020 4.320 4.340 0.000 0.000 0.208 192 L C 0.471 177.201 176.870 -0.233 0.000 1.096 192 L CA 0.925 55.598 54.840 -0.277 0.000 0.779 192 L CB -0.215 41.705 42.059 -0.231 0.000 0.922 192 L HN 0.110 nan 8.230 nan 0.000 0.443 193 L N 1.050 122.014 121.223 -0.431 0.000 2.648 193 L HA 0.133 4.473 4.340 0.000 0.000 0.238 193 L C -0.181 176.135 176.870 -0.925 0.000 1.316 193 L CA -0.294 54.086 54.840 -0.766 0.000 1.241 193 L CB -0.249 41.322 42.059 -0.813 0.000 1.499 193 L HN 0.019 nan 8.230 nan 0.000 0.411 194 D N 0.630 120.635 120.400 -0.658 0.000 2.365 194 D HA 0.050 4.690 4.640 0.000 0.000 0.237 194 D C 0.724 176.604 176.300 -0.700 0.000 1.190 194 D CA -0.361 53.308 54.000 -0.551 0.000 0.867 194 D CB 0.773 41.434 40.800 -0.231 0.000 1.050 194 D HN 0.134 nan 8.370 nan 0.000 0.491 195 F N 1.498 121.245 119.950 -0.339 0.000 2.771 195 F HA -0.070 4.457 4.527 0.000 0.000 0.299 195 F C 2.499 178.008 175.800 -0.485 0.000 1.177 195 F CA 0.212 57.955 58.000 -0.429 0.000 1.450 195 F CB -0.423 38.391 39.000 -0.309 0.000 1.114 195 F HN 0.327 nan 8.300 nan 0.000 0.587 196 S N -1.052 114.497 115.700 -0.252 0.000 2.496 196 S HA 0.199 4.669 4.470 0.000 0.000 0.224 196 S C 1.779 176.231 174.600 -0.247 0.000 0.996 196 S CA 0.541 58.632 58.200 -0.182 0.000 0.927 196 S CB -0.047 63.106 63.200 -0.079 0.000 0.774 196 S HN 0.219 nan 8.310 nan 0.000 0.524 197 A N 0.497 123.033 122.820 -0.472 0.000 2.141 197 A HA 0.607 4.927 4.320 0.000 0.000 0.201 197 A C 0.494 177.711 177.584 -0.612 0.000 1.344 197 A CA -0.008 51.749 52.037 -0.467 0.000 0.971 197 A CB 0.414 19.035 19.000 -0.632 0.000 1.035 197 A HN 0.317 nan 8.150 nan 0.000 0.480 198 V N 0.910 120.373 119.914 -0.752 0.000 2.465 198 V HA 0.474 4.594 4.120 0.000 0.000 0.279 198 V C -0.904 174.951 176.094 -0.398 0.000 1.045 198 V CA -0.068 61.942 62.300 -0.483 0.000 0.938 198 V CB 0.473 32.006 31.823 -0.482 0.000 0.986 198 V HN 0.392 nan 8.190 nan 0.000 0.467 199 Y N 4.234 124.596 120.300 0.103 0.000 2.524 199 Y HA 0.506 5.056 4.550 0.000 0.000 0.347 199 Y C -2.426 173.686 175.900 0.354 0.000 1.005 199 Y CA -2.598 55.637 58.100 0.225 0.000 1.025 199 Y CB 2.362 40.867 38.460 0.075 0.000 1.275 199 Y HN 0.449 nan 8.280 nan 0.000 0.460 200 P HA 0.187 nan 4.420 nan 0.000 0.271 200 P C 0.079 177.478 177.300 0.164 0.000 1.218 200 P CA 0.083 63.207 63.100 0.040 0.000 0.780 200 P CB 0.855 32.488 31.700 -0.112 0.000 0.901 201 L N 1.568 122.841 121.223 0.083 0.000 2.640 201 L HA 0.104 4.445 4.340 0.000 0.000 0.230 201 L C 0.692 177.619 176.870 0.094 0.000 1.123 201 L CA 0.413 55.335 54.840 0.136 0.000 0.900 201 L CB -0.213 41.983 42.059 0.228 0.000 1.146 201 L HN 0.353 nan 8.230 nan 0.000 0.484 202 D N -0.560 119.845 120.400 0.009 0.000 2.363 202 D HA 0.073 4.713 4.640 0.000 0.000 0.214 202 D C 0.342 176.631 176.300 -0.018 0.000 1.093 202 D CA 0.066 54.065 54.000 -0.001 0.000 0.837 202 D CB 0.021 40.820 40.800 -0.003 0.000 0.948 202 D HN 0.063 nan 8.370 nan 0.000 0.507 203 V N -4.592 115.318 119.914 -0.006 0.000 2.735 203 V HA 0.805 4.926 4.120 0.000 0.000 0.310 203 V C 1.380 177.476 176.094 0.005 0.000 1.061 203 V CA -0.213 62.085 62.300 -0.003 0.000 0.913 203 V CB 0.781 32.605 31.823 0.002 0.000 1.005 203 V HN -0.022 nan 8.190 nan 0.000 0.428 204 T N 1.471 116.022 114.554 -0.006 0.000 2.812 204 T HA -0.033 4.317 4.350 0.000 0.000 0.264 204 T C 0.940 175.641 174.700 0.002 0.000 1.042 204 T CA 1.423 63.517 62.100 -0.009 0.000 1.140 204 T CB -0.476 68.384 68.868 -0.014 0.000 0.870 204 T HN 0.684 nan 8.240 nan 0.000 0.445 205 N N 2.701 121.406 118.700 0.008 0.000 3.050 205 N HA 0.167 4.907 4.740 0.000 0.000 0.289 205 N C -0.003 175.524 175.510 0.029 0.000 1.209 205 N CA 0.008 53.066 53.050 0.012 0.000 1.154 205 N CB 0.188 38.680 38.487 0.009 0.000 1.444 205 N HN 0.747 nan 8.380 nan 0.000 0.529 206 R N 0.064 120.586 120.500 0.037 0.000 2.892 206 R HA 0.664 5.005 4.340 0.000 0.000 0.265 206 R C -2.802 173.507 176.300 0.015 0.000 1.025 206 R CA -1.418 54.719 56.100 0.063 0.000 0.982 206 R CB 0.977 31.380 30.300 0.170 0.000 1.185 206 R HN -0.047 nan 8.270 nan 0.000 0.484 207 P HA 0.233 nan 4.420 nan 0.000 0.276 207 P C -0.927 176.425 177.300 0.088 0.000 1.252 207 P CA -0.545 62.485 63.100 -0.117 0.000 0.802 207 P CB 0.895 32.344 31.700 -0.419 0.000 1.035 208 R N -0.327 120.219 120.500 0.077 0.000 2.500 208 R HA 0.262 4.602 4.340 0.000 0.000 0.277 208 R C 1.564 177.984 176.300 0.200 0.000 1.026 208 R CA -0.474 55.724 56.100 0.164 0.000 1.058 208 R CB 0.209 30.564 30.300 0.091 0.000 1.078 208 R HN 0.447 nan 8.270 nan 0.000 0.509 209 T N 2.221 116.973 114.554 0.331 0.000 2.649 209 T HA -0.291 4.059 4.350 0.000 0.000 0.268 209 T C 2.344 177.138 174.700 0.156 0.000 1.036 209 T CA 2.608 64.891 62.100 0.305 0.000 1.157 209 T CB -0.280 68.846 68.868 0.430 0.000 0.861 209 T HN 0.761 nan 8.240 nan 0.000 0.445 210 K N 1.437 121.916 120.400 0.133 0.000 2.127 210 K HA -0.221 4.099 4.320 0.000 0.000 0.208 210 K C 1.967 178.599 176.600 0.053 0.000 1.047 210 K CA 2.187 58.525 56.287 0.086 0.000 0.927 210 K CB -1.056 31.487 32.500 0.071 0.000 0.716 210 K HN 0.686 nan 8.250 nan 0.000 0.450 211 E N -0.589 119.632 120.200 0.035 0.000 2.204 211 E HA 0.011 4.361 4.350 0.000 0.000 0.194 211 E C 1.523 178.115 176.600 -0.013 0.000 0.989 211 E CA 1.253 57.653 56.400 -0.000 0.000 0.824 211 E CB -0.086 29.594 29.700 -0.033 0.000 0.756 211 E HN 0.876 nan 8.360 nan 0.000 0.477 212 I N -2.861 117.699 120.570 -0.017 0.000 3.856 212 I HA 0.307 4.478 4.170 0.000 0.000 0.330 212 I C 1.574 177.697 176.117 0.011 0.000 1.546 212 I CA -0.445 60.844 61.300 -0.020 0.000 1.132 212 I CB 0.445 38.397 38.000 -0.081 0.000 1.157 212 I HN -0.189 nan 8.210 nan 0.000 0.440 213 R N 1.814 122.335 120.500 0.034 0.000 2.075 213 R HA -0.013 4.327 4.340 0.000 0.000 0.232 213 R C 2.321 178.650 176.300 0.048 0.000 1.126 213 R CA 1.940 58.072 56.100 0.054 0.000 0.963 213 R CB -0.397 29.939 30.300 0.060 0.000 0.858 213 R HN 0.585 nan 8.270 nan 0.000 0.435 214 G N 0.591 109.414 108.800 0.038 0.000 2.446 214 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 214 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 214 G C 1.113 176.038 174.900 0.041 0.000 1.168 214 G CA 1.039 46.160 45.100 0.035 0.000 0.771 214 G HN 0.312 nan 8.290 nan 0.000 0.551 215 N N 0.660 119.383 118.700 0.039 0.000 2.120 215 N HA -0.097 4.643 4.740 0.000 0.000 0.188 215 N C 2.098 177.644 175.510 0.059 0.000 1.024 215 N CA 0.870 53.943 53.050 0.038 0.000 0.852 215 N CB -0.274 38.231 38.487 0.031 0.000 1.003 215 N HN 0.191 nan 8.380 nan 0.000 0.424 216 I N 1.277 121.879 120.570 0.053 0.000 2.142 216 I HA -0.183 3.987 4.170 0.000 0.000 0.240 216 I C 2.205 178.415 176.117 0.155 0.000 1.078 216 I CA 1.067 62.431 61.300 0.107 0.000 1.343 216 I CB -1.150 36.905 38.000 0.092 0.000 1.046 216 I HN 0.138 nan 8.210 nan 0.000 0.405 217 R N 0.613 121.173 120.500 0.100 0.000 2.080 217 R HA -0.166 4.174 4.340 0.000 0.000 0.236 217 R C 2.339 178.681 176.300 0.071 0.000 1.137 217 R CA 1.832 57.978 56.100 0.076 0.000 0.943 217 R CB -0.532 29.796 30.300 0.047 0.000 0.846 217 R HN 0.410 nan 8.270 nan 0.000 0.431 218 A N 0.253 123.117 122.820 0.073 0.000 1.933 218 A HA -0.222 4.098 4.320 0.000 0.000 0.218 218 A C 1.990 179.631 177.584 0.095 0.000 1.175 218 A CA 1.277 53.353 52.037 0.064 0.000 0.628 218 A CB -0.709 18.322 19.000 0.052 0.000 0.814 218 A HN 0.494 nan 8.150 nan 0.000 0.444 219 Y N 0.466 120.756 120.300 -0.016 0.000 2.145 219 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 219 Y C 2.497 178.398 175.900 0.002 0.000 1.145 219 Y CA 2.145 60.228 58.100 -0.028 0.000 1.148 219 Y CB -0.417 38.012 38.460 -0.053 0.000 0.981 219 Y HN 0.318 nan 8.280 nan 0.000 0.507 220 R N 0.658 121.138 120.500 -0.033 0.000 2.073 220 R HA -0.201 4.139 4.340 0.000 0.000 0.234 220 R C 2.453 178.697 176.300 -0.094 0.000 1.134 220 R CA 1.962 57.993 56.100 -0.115 0.000 0.952 220 R CB -0.364 29.953 30.300 0.028 0.000 0.850 220 R HN 0.330 nan 8.270 nan 0.000 0.433 221 K N 0.281 120.660 120.400 -0.035 0.000 2.044 221 K HA -0.236 4.085 4.320 0.000 0.000 0.210 221 K C 1.748 178.324 176.600 -0.039 0.000 1.049 221 K CA 2.287 58.559 56.287 -0.026 0.000 0.927 221 K CB -0.290 32.207 32.500 -0.005 0.000 0.713 221 K HN 0.200 nan 8.250 nan 0.000 0.443 222 D N -0.122 120.249 120.400 -0.047 0.000 2.117 222 D HA -0.179 4.461 4.640 0.000 0.000 0.197 222 D C 1.896 178.156 176.300 -0.065 0.000 0.987 222 D CA 0.839 54.817 54.000 -0.037 0.000 0.829 222 D CB 0.015 40.808 40.800 -0.012 0.000 0.961 222 D HN 0.112 nan 8.370 nan 0.000 0.460 223 L N 0.427 121.551 121.223 -0.165 0.000 2.017 223 L HA -0.004 4.337 4.340 0.000 0.000 0.208 223 L C 2.208 179.098 176.870 0.032 0.000 1.073 223 L CA 2.039 56.782 54.840 -0.163 0.000 0.745 223 L CB -1.050 40.787 42.059 -0.370 0.000 0.894 223 L HN 0.120 nan 8.230 nan 0.000 0.432 224 A N -1.186 121.641 122.820 0.011 0.000 1.883 224 A HA -0.274 4.046 4.320 0.000 0.000 0.217 224 A C 2.162 179.748 177.584 0.003 0.000 1.186 224 A CA 2.013 54.063 52.037 0.022 0.000 0.624 224 A CB -0.573 18.414 19.000 -0.022 0.000 0.822 224 A HN 0.663 nan 8.150 nan 0.000 0.444 225 Q N -1.105 118.685 119.800 -0.017 0.000 2.187 225 Q HA -0.028 4.312 4.340 0.000 0.000 0.199 225 Q C 1.097 177.078 176.000 -0.033 0.000 0.957 225 Q CA 1.217 57.005 55.803 -0.023 0.000 0.857 225 Q CB 0.001 28.728 28.738 -0.018 0.000 0.929 225 Q HN 0.656 nan 8.270 nan 0.000 0.453 226 N N -0.439 118.228 118.700 -0.054 0.000 2.317 226 N HA 0.057 4.797 4.740 0.000 0.000 0.199 226 N C 0.443 175.709 175.510 -0.407 0.000 1.145 226 N CA 0.364 53.351 53.050 -0.105 0.000 0.882 226 N CB 0.541 39.051 38.487 0.038 0.000 1.113 226 N HN 0.052 nan 8.380 nan 0.000 0.486 227 G N 1.822 110.333 108.800 -0.482 0.000 2.272 227 G HA2 0.237 4.197 3.960 0.000 0.000 0.247 227 G HA3 0.237 4.197 3.960 0.000 0.000 0.247 227 G C -0.109 174.552 174.900 -0.398 0.000 1.272 227 G CA 0.306 44.900 45.100 -0.844 0.000 0.921 227 G HN 0.383 nan 8.290 nan 0.000 0.495 228 E N 1.315 121.196 120.200 -0.531 0.000 2.388 228 E HA 0.316 4.666 4.350 0.000 0.000 0.280 228 E C -1.732 174.753 176.600 -0.193 0.000 1.019 228 E CA -1.045 55.214 56.400 -0.236 0.000 0.806 228 E CB 0.817 30.445 29.700 -0.119 0.000 1.246 228 E HN 0.403 nan 8.360 nan 0.000 0.443 229 Y N 0.757 120.964 120.300 -0.154 0.000 2.301 229 Y HA 0.478 5.028 4.550 0.000 0.000 0.325 229 Y C 0.352 176.240 175.900 -0.020 0.000 1.203 229 Y CA -0.061 57.996 58.100 -0.072 0.000 1.255 229 Y CB 1.971 40.315 38.460 -0.194 0.000 1.232 229 Y HN 0.427 nan 8.280 nan 0.000 0.501 230 S N 2.826 118.630 115.700 0.173 0.000 2.532 230 S HA 0.716 5.186 4.470 0.000 0.000 0.301 230 S C -0.991 173.652 174.600 0.072 0.000 1.083 230 S CA -0.803 57.454 58.200 0.095 0.000 1.025 230 S CB 0.932 64.183 63.200 0.085 0.000 1.056 230 S HN 0.427 nan 8.310 nan 0.000 0.494 231 L N 2.305 123.549 121.223 0.035 0.000 2.341 231 L HA 0.542 4.882 4.340 0.000 0.000 0.267 231 L C 0.828 177.715 176.870 0.028 0.000 1.009 231 L CA -0.718 54.138 54.840 0.026 0.000 0.819 231 L CB 1.750 43.808 42.059 -0.002 0.000 1.323 231 L HN 0.604 nan 8.230 nan 0.000 0.425 232 K N 0.214 120.635 120.400 0.036 0.000 2.141 232 K HA 0.044 4.364 4.320 0.000 0.000 0.202 232 K C 0.853 177.474 176.600 0.035 0.000 1.045 232 K CA 0.946 57.253 56.287 0.033 0.000 0.971 232 K CB 0.263 32.785 32.500 0.036 0.000 0.795 232 K HN 0.649 nan 8.250 nan 0.000 0.459 233 S N 0.524 116.252 115.700 0.046 0.000 2.449 233 S HA 0.495 4.965 4.470 0.000 0.000 0.237 233 S C -0.142 174.490 174.600 0.052 0.000 1.214 233 S CA -0.947 57.282 58.200 0.049 0.000 1.226 233 S CB 0.669 63.905 63.200 0.060 0.000 0.904 233 S HN 0.197 nan 8.310 nan 0.000 0.490 234 A N 0.886 123.731 122.820 0.041 0.000 2.304 234 A HA 0.821 5.141 4.320 0.000 0.000 0.301 234 A C -0.242 177.377 177.584 0.059 0.000 1.132 234 A CA -0.727 51.339 52.037 0.047 0.000 0.819 234 A CB 1.285 20.292 19.000 0.012 0.000 1.094 234 A HN 0.750 nan 8.150 nan 0.000 0.492 235 V N 1.875 121.846 119.914 0.096 0.000 2.962 235 V HA 0.453 4.573 4.120 0.000 0.000 0.313 235 V C -0.483 175.697 176.094 0.144 0.000 1.099 235 V CA -0.880 61.478 62.300 0.097 0.000 0.971 235 V CB 2.256 34.131 31.823 0.087 0.000 1.028 235 V HN 1.002 nan 8.190 nan 0.000 0.430 236 K N 3.968 124.435 120.400 0.111 0.000 2.144 236 K HA 0.601 4.921 4.320 0.000 0.000 0.270 236 K C -0.173 176.501 176.600 0.123 0.000 1.005 236 K CA -0.512 55.856 56.287 0.136 0.000 0.932 236 K CB 0.752 33.298 32.500 0.077 0.000 1.021 236 K HN 0.671 nan 8.250 nan 0.000 0.462 237 L N 1.577 122.873 121.223 0.122 0.000 3.795 237 L HA -0.182 4.158 4.340 0.000 0.000 0.489 237 L C -1.814 175.114 176.870 0.097 0.000 1.259 237 L CA -0.642 54.244 54.840 0.078 0.000 0.765 237 L CB -1.494 40.602 42.059 0.061 0.000 1.519 237 L HN 0.584 nan 8.230 nan 0.000 0.842 238 P HA 0.028 nan 4.420 nan 0.000 0.270 238 P C 0.052 177.371 177.300 0.032 0.000 1.223 238 P CA -0.053 63.084 63.100 0.062 0.000 0.785 238 P CB 0.548 32.273 31.700 0.042 0.000 0.923 239 N N -0.202 118.487 118.700 -0.018 0.000 2.321 239 N HA 0.220 4.960 4.740 0.000 0.000 0.242 239 N C -0.502 174.943 175.510 -0.108 0.000 1.141 239 N CA 0.043 53.051 53.050 -0.070 0.000 0.864 239 N CB 0.623 39.084 38.487 -0.043 0.000 1.100 239 N HN 0.148 nan 8.380 nan 0.000 0.510 240 V N 0.832 120.676 119.914 -0.118 0.000 3.007 240 V HA 0.328 4.448 4.120 0.000 0.000 0.311 240 V C -0.772 175.228 176.094 -0.156 0.000 1.120 240 V CA -1.105 61.127 62.300 -0.113 0.000 0.980 240 V CB 2.655 34.449 31.823 -0.049 0.000 1.033 240 V HN 0.038 nan 8.190 nan 0.000 0.429 241 L N 5.046 126.183 121.223 -0.143 0.000 2.678 241 L HA 0.316 4.656 4.340 0.000 0.000 0.285 241 L C 0.046 176.870 176.870 -0.077 0.000 1.233 241 L CA 1.424 56.186 54.840 -0.130 0.000 0.920 241 L CB -0.018 41.997 42.059 -0.073 0.000 1.176 241 L HN 0.821 nan 8.230 nan 0.000 0.495 242 S N 2.692 118.356 115.700 -0.060 0.000 2.625 242 S HA 0.757 5.227 4.470 0.000 0.000 0.271 242 S C -1.375 173.332 174.600 0.179 0.000 1.161 242 S CA -0.445 57.783 58.200 0.047 0.000 0.820 242 S CB 1.974 65.202 63.200 0.047 0.000 1.137 242 S HN 0.699 nan 8.310 nan 0.000 0.470 243 V N 1.147 121.211 119.914 0.250 0.000 2.841 243 V HA 0.845 4.965 4.120 0.000 0.000 0.310 243 V C -1.128 175.015 176.094 0.080 0.000 1.090 243 V CA -0.208 62.192 62.300 0.166 0.000 0.930 243 V CB 2.137 33.922 31.823 -0.063 0.000 1.014 243 V HN 0.811 nan 8.190 nan 0.000 0.425 244 S N 7.573 123.214 115.700 -0.098 0.000 2.707 244 S HA 0.693 5.163 4.470 0.000 0.000 0.312 244 S C -2.919 171.477 174.600 -0.341 0.000 1.116 244 S CA -1.252 56.716 58.200 -0.387 0.000 1.078 244 S CB 1.890 64.585 63.200 -0.842 0.000 0.997 244 S HN 0.730 nan 8.310 nan 0.000 0.477 245 P HA 0.465 nan 4.420 nan 0.000 0.285 245 P C -1.203 175.838 177.300 -0.432 0.000 1.259 245 P CA -0.497 62.276 63.100 -0.546 0.000 0.794 245 P CB 0.871 32.090 31.700 -0.800 0.000 0.940 246 L N 3.042 124.037 121.223 -0.379 0.000 2.371 246 L HA 0.637 4.977 4.340 0.000 0.000 0.262 246 L C -0.455 176.437 176.870 0.037 0.000 1.006 246 L CA -0.943 53.815 54.840 -0.137 0.000 0.818 246 L CB 2.022 43.968 42.059 -0.187 0.000 1.354 246 L HN 0.291 nan 8.230 nan 0.000 0.415 247 F N 0.357 120.246 119.950 -0.102 0.000 2.588 247 F HA 0.891 5.418 4.527 0.000 0.000 0.314 247 F C -0.313 175.398 175.800 -0.148 0.000 1.069 247 F CA -0.567 57.355 58.000 -0.131 0.000 0.931 247 F CB 2.414 41.227 39.000 -0.312 0.000 1.260 247 F HN 0.374 nan 8.300 nan 0.000 0.465 248 G N 3.937 111.939 108.800 -1.329 0.000 2.759 248 G HA2 0.590 4.550 3.960 0.000 0.000 0.297 248 G HA3 0.590 4.550 3.960 0.000 0.000 0.297 248 G C -2.924 171.292 174.900 -1.140 0.000 1.434 248 G CA -0.706 43.760 45.100 -1.058 0.000 0.980 248 G HN 0.940 nan 8.290 nan 0.000 0.531 249 L N 1.540 122.325 121.223 -0.729 0.000 2.596 249 L HA 0.806 5.147 4.340 0.000 0.000 0.265 249 L C 0.113 176.855 176.870 -0.215 0.000 0.962 249 L CA 0.920 55.534 54.840 -0.376 0.000 0.891 249 L CB 1.285 43.241 42.059 -0.172 0.000 1.248 249 L HN 2.268 nan 8.230 nan 0.000 0.410 250 G N 2.861 111.563 108.800 -0.164 0.000 2.541 250 G HA2 0.362 4.322 3.960 0.000 0.000 0.686 250 G HA3 0.362 4.322 3.960 0.000 0.000 0.686 250 G C 0.230 175.061 174.900 -0.115 0.000 1.286 250 G CA -0.261 44.784 45.100 -0.092 0.000 0.894 250 G HN 1.434 nan 8.290 nan 0.000 0.575 251 A N -0.377 122.410 122.820 -0.055 0.000 1.930 251 A HA 0.523 4.843 4.320 0.000 0.000 0.215 251 A C 1.631 179.179 177.584 -0.060 0.000 1.176 251 A CA 2.270 54.284 52.037 -0.039 0.000 0.632 251 A CB -0.305 18.708 19.000 0.021 0.000 0.819 251 A HN 1.737 nan 8.150 nan 0.000 0.445 252 S N -0.914 114.752 115.700 -0.056 0.000 2.508 252 S HA 0.491 4.961 4.470 0.000 0.000 0.284 252 S C 0.845 175.398 174.600 -0.079 0.000 1.192 252 S CA 0.065 58.233 58.200 -0.053 0.000 1.070 252 S CB 1.219 64.399 63.200 -0.034 0.000 1.004 252 S HN 1.517 nan 8.310 nan 0.000 0.493 253 G N 2.699 111.451 108.800 -0.079 0.000 2.273 253 G HA2 -0.243 3.717 3.960 0.000 0.000 0.280 253 G HA3 -0.243 3.717 3.960 0.000 0.000 0.280 253 G C -0.145 174.677 174.900 -0.130 0.000 1.047 253 G CA -0.214 44.833 45.100 -0.088 0.000 0.869 253 G HN 0.676 nan 8.290 nan 0.000 0.502 254 N N 0.512 119.106 118.700 -0.178 0.000 2.500 254 N HA 0.200 4.940 4.740 0.000 0.000 0.236 254 N C 1.240 176.592 175.510 -0.263 0.000 1.022 254 N CA 0.258 53.150 53.050 -0.263 0.000 0.935 254 N CB 0.778 39.051 38.487 -0.356 0.000 1.147 254 N HN 0.626 nan 8.380 nan 0.000 0.512 255 E N 3.658 123.720 120.200 -0.229 0.000 2.077 255 E HA -0.196 4.154 4.350 0.000 0.000 0.193 255 E C 1.477 177.940 176.600 -0.228 0.000 0.989 255 E CA 0.805 57.090 56.400 -0.193 0.000 0.800 255 E CB 0.134 29.746 29.700 -0.146 0.000 0.746 255 E HN 0.550 nan 8.360 nan 0.000 0.452 256 L N 1.886 122.938 121.223 -0.285 0.000 1.994 256 L HA -0.181 4.159 4.340 0.000 0.000 0.208 256 L C 1.786 178.446 176.870 -0.350 0.000 1.071 256 L CA 1.968 56.629 54.840 -0.298 0.000 0.745 256 L CB -0.711 41.148 42.059 -0.333 0.000 0.892 256 L HN 0.106 nan 8.230 nan 0.000 0.431 257 N N -0.452 117.941 118.700 -0.511 0.000 2.188 257 N HA -0.183 4.558 4.740 0.000 0.000 0.184 257 N C 1.848 177.193 175.510 -0.276 0.000 1.018 257 N CA 1.378 54.027 53.050 -0.669 0.000 0.858 257 N CB -0.278 37.435 38.487 -1.290 0.000 0.989 257 N HN 0.558 nan 8.380 nan 0.000 0.426 258 Q N 0.192 119.860 119.800 -0.219 0.000 2.084 258 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 258 Q C 2.050 177.988 176.000 -0.104 0.000 0.978 258 Q CA 1.006 56.739 55.803 -0.117 0.000 0.844 258 Q CB -0.019 28.651 28.738 -0.113 0.000 0.898 258 Q HN 0.120 nan 8.270 nan 0.000 0.426 259 V N 1.003 120.833 119.914 -0.140 0.000 2.287 259 V HA -0.288 3.832 4.120 0.000 0.000 0.248 259 V C 2.113 178.149 176.094 -0.096 0.000 1.053 259 V CA 1.723 63.942 62.300 -0.135 0.000 1.027 259 V CB -0.486 31.238 31.823 -0.165 0.000 0.646 259 V HN 0.368 nan 8.190 nan 0.000 0.447 260 I N -0.165 120.359 120.570 -0.078 0.000 2.163 260 I HA -0.291 3.879 4.170 0.000 0.000 0.243 260 I C 2.544 178.644 176.117 -0.028 0.000 1.085 260 I CA 1.858 63.154 61.300 -0.007 0.000 1.347 260 I CB -0.532 37.498 38.000 0.050 0.000 1.044 260 I HN 0.393 nan 8.210 nan 0.000 0.408 261 E N 0.798 120.981 120.200 -0.028 0.000 2.085 261 E HA -0.249 4.101 4.350 0.000 0.000 0.194 261 E C 1.745 178.355 176.600 0.015 0.000 0.994 261 E CA 1.590 57.965 56.400 -0.041 0.000 0.801 261 E CB -0.147 29.568 29.700 0.025 0.000 0.743 261 E HN 0.493 nan 8.360 nan 0.000 0.453 262 D N 0.624 121.022 120.400 -0.004 0.000 2.144 262 D HA -0.107 4.533 4.640 0.000 0.000 0.200 262 D C 2.071 178.372 176.300 0.002 0.000 0.978 262 D CA 0.613 54.607 54.000 -0.011 0.000 0.833 262 D CB -0.220 40.548 40.800 -0.052 0.000 0.961 262 D HN 0.139 nan 8.370 nan 0.000 0.470 263 L N -0.184 121.040 121.223 0.002 0.000 2.012 263 L HA -0.211 4.129 4.340 0.000 0.000 0.210 263 L C 2.367 179.335 176.870 0.163 0.000 1.073 263 L CA 1.005 55.859 54.840 0.023 0.000 0.748 263 L CB -0.390 41.697 42.059 0.047 0.000 0.891 263 L HN -0.031 nan 8.230 nan 0.000 0.431 264 F N -0.083 119.835 119.950 -0.054 0.000 2.134 264 F HA -0.219 4.308 4.527 0.000 0.000 0.299 264 F C 2.346 178.114 175.800 -0.054 0.000 1.097 264 F CA 1.234 59.200 58.000 -0.057 0.000 1.264 264 F CB -0.711 38.240 39.000 -0.081 0.000 1.001 264 F HN -0.049 nan 8.300 nan 0.000 0.479 265 L N -0.831 120.478 121.223 0.144 0.000 2.201 265 L HA -0.170 4.170 4.340 0.000 0.000 0.212 265 L C 1.954 178.845 176.870 0.035 0.000 1.105 265 L CA 0.942 55.817 54.840 0.058 0.000 0.775 265 L CB -0.452 41.629 42.059 0.038 0.000 0.913 265 L HN 0.128 nan 8.230 nan 0.000 0.440 266 Q N -0.225 119.601 119.800 0.043 0.000 2.280 266 Q HA 0.138 4.478 4.340 0.000 0.000 0.201 266 Q C 0.087 176.125 176.000 0.062 0.000 0.890 266 Q CA -0.012 55.822 55.803 0.052 0.000 0.947 266 Q CB 0.452 29.228 28.738 0.064 0.000 1.081 266 Q HN 0.206 nan 8.270 nan 0.000 0.502 267 V N 2.912 122.843 119.914 0.028 0.000 2.509 267 V HA -0.084 4.036 4.120 0.000 0.000 0.297 267 V C 1.211 177.309 176.094 0.007 0.000 1.014 267 V CA 0.738 63.042 62.300 0.008 0.000 1.127 267 V CB 0.641 32.427 31.823 -0.062 0.000 0.925 267 V HN 0.273 nan 8.190 nan 0.000 0.480 268 Q N 4.103 123.914 119.800 0.019 0.000 2.217 268 Q HA 0.183 4.523 4.340 0.000 0.000 0.217 268 Q C 1.119 177.117 176.000 -0.004 0.000 0.844 268 Q CA 0.070 55.880 55.803 0.010 0.000 0.957 268 Q CB 0.962 29.714 28.738 0.023 0.000 1.127 268 Q HN 0.887 nan 8.270 nan 0.000 0.503 269 K N 0.036 120.429 120.400 -0.012 0.000 3.164 269 K HA 0.073 4.394 4.320 0.000 0.000 0.214 269 K C -0.651 175.929 176.600 -0.034 0.000 1.957 269 K CA 0.254 56.529 56.287 -0.020 0.000 1.446 269 K CB 0.813 33.304 32.500 -0.014 0.000 2.272 269 K HN -0.086 nan 8.250 nan 0.000 0.592 270 K N 1.666 122.046 120.400 -0.033 0.000 2.565 270 K HA 0.404 4.725 4.320 0.000 0.000 0.251 270 K C -2.067 174.504 176.600 -0.049 0.000 0.956 270 K CA -0.440 55.819 56.287 -0.047 0.000 0.809 270 K CB 1.585 34.060 32.500 -0.041 0.000 1.267 270 K HN 0.204 nan 8.250 nan 0.000 0.438 271 L N 5.096 126.263 121.223 -0.093 0.000 2.322 271 L HA 0.692 5.032 4.340 0.000 0.000 0.281 271 L C -1.139 175.687 176.870 -0.073 0.000 1.014 271 L CA -1.084 53.677 54.840 -0.131 0.000 0.815 271 L CB 1.641 43.515 42.059 -0.309 0.000 1.247 271 L HN 0.481 nan 8.230 nan 0.000 0.421 272 V N 5.968 125.904 119.914 0.036 0.000 2.540 272 V HA 0.530 4.650 4.120 0.000 0.000 0.302 272 V C -0.179 176.094 176.094 0.300 0.000 1.035 272 V CA -0.470 61.883 62.300 0.088 0.000 0.873 272 V CB 2.059 33.828 31.823 -0.090 0.000 0.992 272 V HN 0.569 nan 8.190 nan 0.000 0.428 273 I N 3.258 123.980 120.570 0.253 0.000 2.533 273 I HA 0.479 4.649 4.170 0.000 0.000 0.290 273 I C -0.745 175.586 176.117 0.357 0.000 1.056 273 I CA -0.206 61.293 61.300 0.332 0.000 1.057 273 I CB 2.088 40.255 38.000 0.279 0.000 1.240 273 I HN 0.529 nan 8.210 nan 0.000 0.423 274 C N 3.572 123.103 119.300 0.384 0.000 2.355 274 C HA 0.800 5.260 4.460 0.000 0.000 0.332 274 C C 0.366 175.442 174.990 0.144 0.000 1.255 274 C CA -0.300 58.882 59.018 0.274 0.000 1.792 274 C CB 1.334 29.216 27.740 0.236 0.000 2.300 274 C HN 0.785 nan 8.230 nan 0.000 0.515 275 T N 3.194 117.812 114.554 0.106 0.000 2.956 275 T HA 0.396 4.746 4.350 0.000 0.000 0.312 275 T C -2.236 172.405 174.700 -0.099 0.000 1.151 275 T CA -1.008 61.047 62.100 -0.075 0.000 1.024 275 T CB 1.818 70.583 68.868 -0.171 0.000 1.140 275 T HN 0.321 nan 8.240 nan 0.000 0.473 276 P HA 0.047 nan 4.420 nan 0.000 0.215 276 P C -0.646 176.238 177.300 -0.694 0.000 1.157 276 P CA 1.218 63.981 63.100 -0.562 0.000 0.863 276 P CB 0.009 31.090 31.700 -1.032 0.000 0.787 277 Y N -2.748 117.445 120.300 -0.179 0.000 2.409 277 Y HA 0.446 4.996 4.550 0.000 0.000 0.343 277 Y C -0.085 175.565 175.900 -0.417 0.000 0.973 277 Y CA -1.696 56.169 58.100 -0.392 0.000 1.064 277 Y CB 0.356 38.210 38.460 -1.011 0.000 1.207 277 Y HN -0.230 nan 8.280 nan 0.000 0.452 278 F N 4.291 124.089 119.950 -0.253 0.000 2.490 278 F HA 0.247 4.774 4.527 0.000 0.000 0.357 278 F C 0.128 175.757 175.800 -0.285 0.000 1.166 278 F CA 0.369 58.174 58.000 -0.325 0.000 1.116 278 F CB -0.015 38.911 39.000 -0.122 0.000 1.171 278 F HN 0.636 nan 8.300 nan 0.000 0.576 279 N N 5.745 123.944 118.700 -0.834 0.000 2.820 279 N HA 0.097 4.837 4.740 0.000 0.000 0.209 279 N C -1.609 173.576 175.510 -0.541 0.000 1.406 279 N CA -0.361 52.406 53.050 -0.471 0.000 0.916 279 N CB -0.411 37.930 38.487 -0.242 0.000 1.532 279 N HN 0.188 nan 8.380 nan 0.000 0.559 280 F N 1.422 121.079 119.950 -0.488 0.000 2.410 280 F HA 0.490 5.017 4.527 0.000 0.000 0.334 280 F C -1.300 174.284 175.800 -0.360 0.000 1.134 280 F CA -1.584 56.154 58.000 -0.437 0.000 1.227 280 F CB 0.396 39.109 39.000 -0.478 0.000 1.194 280 F HN 0.165 nan 8.300 nan 0.000 0.571 281 P HA 0.122 nan 4.420 nan 0.000 0.272 281 P C 0.468 177.617 177.300 -0.252 0.000 1.223 281 P CA -0.039 62.860 63.100 -0.335 0.000 0.784 281 P CB 0.365 31.608 31.700 -0.762 0.000 0.923 282 R N 1.549 121.958 120.500 -0.153 0.000 2.117 282 R HA -0.168 4.172 4.340 0.000 0.000 0.243 282 R C 2.294 178.544 176.300 -0.083 0.000 1.143 282 R CA 2.682 58.738 56.100 -0.073 0.000 0.968 282 R CB -2.373 27.907 30.300 -0.034 0.000 0.863 282 R HN 0.632 nan 8.270 nan 0.000 0.444 283 T N 0.184 114.636 114.554 -0.171 0.000 2.788 283 T HA -0.001 4.349 4.350 0.000 0.000 0.268 283 T C 1.948 176.539 174.700 -0.181 0.000 1.044 283 T CA 1.466 63.488 62.100 -0.130 0.000 1.139 283 T CB -0.257 68.527 68.868 -0.141 0.000 0.867 283 T HN 0.457 nan 8.240 nan 0.000 0.454 284 L N 0.226 121.223 121.223 -0.377 0.000 2.179 284 L HA 0.004 4.344 4.340 0.000 0.000 0.208 284 L C 2.899 179.639 176.870 -0.217 0.000 1.096 284 L CA 0.977 55.551 54.840 -0.443 0.000 0.779 284 L CB -0.536 41.074 42.059 -0.748 0.000 0.922 284 L HN 0.338 nan 8.230 nan 0.000 0.443 285 Q N -0.645 119.082 119.800 -0.121 0.000 2.096 285 Q HA -0.278 4.062 4.340 0.000 0.000 0.204 285 Q C 2.179 178.280 176.000 0.168 0.000 0.982 285 Q CA 1.916 57.747 55.803 0.048 0.000 0.850 285 Q CB -0.227 28.581 28.738 0.117 0.000 0.901 285 Q HN 0.462 nan 8.270 nan 0.000 0.422 286 H N 0.980 120.068 119.070 0.030 0.000 2.357 286 H HA -0.039 4.517 4.556 0.000 0.000 0.301 286 H C 1.639 177.002 175.328 0.057 0.000 1.082 286 H CA 1.680 57.762 56.048 0.057 0.000 1.342 286 H CB 0.207 29.984 29.762 0.026 0.000 1.389 286 H HN 0.023 nan 8.280 nan 0.000 0.511 287 K N -0.310 120.063 120.400 -0.045 0.000 2.097 287 K HA -0.062 4.258 4.320 0.000 0.000 0.206 287 K C 2.343 178.938 176.600 -0.009 0.000 1.049 287 K CA 1.494 57.745 56.287 -0.059 0.000 0.933 287 K CB -0.023 32.524 32.500 0.078 0.000 0.717 287 K HN 0.294 nan 8.250 nan 0.000 0.442 288 I N 0.753 121.342 120.570 0.032 0.000 2.226 288 I HA -0.276 3.894 4.170 0.000 0.000 0.245 288 I C 2.428 178.476 176.117 -0.116 0.000 1.100 288 I CA 1.052 62.321 61.300 -0.052 0.000 1.374 288 I CB -0.317 37.667 38.000 -0.026 0.000 1.057 288 I HN 0.157 nan 8.210 nan 0.000 0.413 289 A N 0.349 123.168 122.820 -0.002 0.000 1.902 289 A HA -0.204 4.117 4.320 0.000 0.000 0.217 289 A C 2.385 179.965 177.584 -0.006 0.000 1.181 289 A CA 2.430 54.503 52.037 0.060 0.000 0.623 289 A CB -1.115 18.117 19.000 0.386 0.000 0.818 289 A HN 0.378 nan 8.150 nan 0.000 0.443 290 T N 0.625 115.133 114.554 -0.077 0.000 2.720 290 T HA -0.118 4.232 4.350 0.000 0.000 0.268 290 T C 1.811 176.463 174.700 -0.079 0.000 1.037 290 T CA 1.507 63.548 62.100 -0.099 0.000 1.144 290 T CB -0.412 68.340 68.868 -0.193 0.000 0.864 290 T HN 0.370 nan 8.240 nan 0.000 0.444 291 L N 0.290 121.451 121.223 -0.102 0.000 2.017 291 L HA -0.056 4.284 4.340 0.000 0.000 0.208 291 L C 2.517 179.322 176.870 -0.108 0.000 1.073 291 L CA 1.208 55.986 54.840 -0.103 0.000 0.745 291 L CB -0.593 41.385 42.059 -0.134 0.000 0.894 291 L HN 0.259 nan 8.230 nan 0.000 0.432 292 L N -0.539 120.587 121.223 -0.162 0.000 2.083 292 L HA -0.205 4.136 4.340 0.000 0.000 0.209 292 L C 2.402 179.233 176.870 -0.065 0.000 1.083 292 L CA 1.189 55.923 54.840 -0.176 0.000 0.752 292 L CB -0.419 41.391 42.059 -0.416 0.000 0.899 292 L HN 0.286 nan 8.230 nan 0.000 0.433 293 E N 0.021 120.208 120.200 -0.022 0.000 2.268 293 E HA -0.136 4.214 4.350 0.000 0.000 0.195 293 E C 0.663 177.263 176.600 0.000 0.000 0.995 293 E CA 0.658 57.069 56.400 0.018 0.000 0.836 293 E CB 0.056 29.783 29.700 0.044 0.000 0.763 293 E HN 0.444 nan 8.360 nan 0.000 0.491 294 N N -0.303 118.385 118.700 -0.019 0.000 2.320 294 N HA 0.112 4.852 4.740 0.000 0.000 0.237 294 N C 0.241 175.739 175.510 -0.021 0.000 1.129 294 N CA 0.585 53.625 53.050 -0.017 0.000 0.854 294 N CB 1.072 39.547 38.487 -0.020 0.000 1.083 294 N HN 0.165 nan 8.380 nan 0.000 0.504 295 G N 0.548 109.334 108.800 -0.023 0.000 2.179 295 G HA2 -0.303 3.657 3.960 0.000 0.000 0.257 295 G HA3 -0.303 3.657 3.960 0.000 0.000 0.257 295 G C -0.058 174.821 174.900 -0.034 0.000 1.010 295 G CA 0.236 45.322 45.100 -0.024 0.000 0.736 295 G HN 0.181 nan 8.290 nan 0.000 0.513 296 K N -0.234 120.138 120.400 -0.048 0.000 2.118 296 K HA 0.480 4.800 4.320 0.000 0.000 0.267 296 K C 0.521 177.079 176.600 -0.070 0.000 0.991 296 K CA -0.826 55.427 56.287 -0.056 0.000 0.916 296 K CB 1.582 34.043 32.500 -0.065 0.000 1.041 296 K HN 0.349 nan 8.250 nan 0.000 0.455 297 R N 0.976 121.437 120.500 -0.064 0.000 2.404 297 R HA 0.407 4.747 4.340 0.000 0.000 0.291 297 R C -0.975 175.275 176.300 -0.083 0.000 1.025 297 R CA -0.529 55.532 56.100 -0.065 0.000 0.991 297 R CB 0.932 31.203 30.300 -0.049 0.000 1.053 297 R HN 0.298 nan 8.270 nan 0.000 0.479 298 V N 3.352 123.219 119.914 -0.078 0.000 2.638 298 V HA 0.316 4.436 4.120 0.000 0.000 0.306 298 V C -0.842 175.235 176.094 -0.028 0.000 1.052 298 V CA -0.754 61.498 62.300 -0.081 0.000 0.885 298 V CB 1.729 33.492 31.823 -0.101 0.000 0.999 298 V HN 0.821 nan 8.190 nan 0.000 0.424 299 E N 4.664 124.851 120.200 -0.021 0.000 2.199 299 E HA 0.643 4.993 4.350 0.000 0.000 0.265 299 E C -1.605 175.030 176.600 0.059 0.000 0.882 299 E CA -0.590 55.816 56.400 0.011 0.000 0.759 299 E CB 1.673 31.354 29.700 -0.033 0.000 1.148 299 E HN 0.678 nan 8.360 nan 0.000 0.412 300 I N 6.008 126.648 120.570 0.116 0.000 2.406 300 I HA 0.381 4.551 4.170 0.000 0.000 0.290 300 I C -0.362 175.848 176.117 0.156 0.000 0.999 300 I CA -0.895 60.517 61.300 0.186 0.000 1.124 300 I CB 1.575 39.748 38.000 0.288 0.000 1.289 300 I HN 0.489 nan 8.210 nan 0.000 0.441 301 I N 7.418 128.090 120.570 0.169 0.000 2.382 301 I HA 0.421 4.591 4.170 0.000 0.000 0.285 301 I C -0.190 176.001 176.117 0.125 0.000 1.007 301 I CA -0.747 60.636 61.300 0.139 0.000 1.142 301 I CB 1.519 39.620 38.000 0.168 0.000 1.289 301 I HN 0.324 nan 8.210 nan 0.000 0.453 302 V N 2.247 122.135 119.914 -0.044 0.000 3.126 302 V HA 0.873 4.993 4.120 0.000 0.000 0.314 302 V C 0.346 176.102 176.094 -0.563 0.000 1.138 302 V CA -0.801 61.379 62.300 -0.201 0.000 1.034 302 V CB 1.483 33.307 31.823 0.002 0.000 1.075 302 V HN 0.679 nan 8.190 nan 0.000 0.442 303 G N 0.181 108.602 108.800 -0.632 0.000 2.467 303 G HA2 0.397 4.357 3.960 0.000 0.000 0.257 303 G HA3 0.397 4.357 3.960 0.000 0.000 0.257 303 G C -0.470 174.372 174.900 -0.097 0.000 1.227 303 G CA 0.012 44.879 45.100 -0.389 0.000 0.835 303 G HN 1.067 nan 8.290 nan 0.000 0.556 304 D N 0.336 120.712 120.400 -0.041 0.000 2.419 304 D HA 0.021 4.661 4.640 0.000 0.000 0.236 304 D C 1.716 177.978 176.300 -0.063 0.000 1.165 304 D CA 0.011 53.977 54.000 -0.057 0.000 0.882 304 D CB 0.679 41.423 40.800 -0.093 0.000 1.201 304 D HN 0.341 nan 8.370 nan 0.000 0.443 305 K N 1.167 121.492 120.400 -0.124 0.000 2.127 305 K HA -0.217 4.103 4.320 0.000 0.000 0.212 305 K C 1.796 178.179 176.600 -0.361 0.000 1.050 305 K CA 1.403 57.561 56.287 -0.214 0.000 0.929 305 K CB -0.271 31.975 32.500 -0.423 0.000 0.715 305 K HN 0.326 nan 8.250 nan 0.000 0.457 306 V N 0.481 120.067 119.914 -0.547 0.000 2.626 306 V HA -0.164 3.957 4.120 0.000 0.000 0.252 306 V C 1.808 177.767 176.094 -0.225 0.000 1.067 306 V CA 1.762 63.627 62.300 -0.724 0.000 1.081 306 V CB -0.296 31.199 31.823 -0.547 0.000 0.686 306 V HN 0.343 nan 8.190 nan 0.000 0.468 307 A N -0.140 122.655 122.820 -0.042 0.000 2.370 307 A HA 0.158 4.479 4.320 0.000 0.000 0.238 307 A C 0.889 178.585 177.584 0.187 0.000 1.289 307 A CA -0.057 52.069 52.037 0.149 0.000 0.885 307 A CB -0.459 18.762 19.000 0.370 0.000 0.961 307 A HN 0.474 nan 8.150 nan 0.000 0.499 308 N N 0.894 119.700 118.700 0.178 0.000 2.438 308 N HA 0.107 4.847 4.740 0.000 0.000 0.282 308 N C -0.280 175.371 175.510 0.235 0.000 1.037 308 N CA 0.047 53.273 53.050 0.295 0.000 0.942 308 N CB 1.448 40.177 38.487 0.402 0.000 1.136 308 N HN 0.270 nan 8.380 nan 0.000 0.481 309 D N 2.343 122.821 120.400 0.130 0.000 2.363 309 D HA -0.073 4.567 4.640 0.000 0.000 0.220 309 D C 0.877 177.113 176.300 -0.107 0.000 0.994 309 D CA 0.634 54.614 54.000 -0.034 0.000 0.890 309 D CB -0.374 40.332 40.800 -0.158 0.000 0.906 309 D HN 0.393 nan 8.370 nan 0.000 0.530 310 F N -0.208 119.851 119.950 0.182 0.000 2.811 310 F HA 0.150 4.677 4.527 0.000 0.000 0.301 310 F C 0.592 176.480 175.800 0.147 0.000 1.151 310 F CA -0.616 57.460 58.000 0.127 0.000 1.412 310 F CB -0.830 38.234 39.000 0.107 0.000 1.113 310 F HN -0.097 nan 8.300 nan 0.000 0.579 311 Y N 2.504 122.932 120.300 0.213 0.000 2.544 311 Y HA 0.249 4.799 4.550 0.000 0.000 0.330 311 Y C 0.013 175.999 175.900 0.143 0.000 1.136 311 Y CA -0.760 57.444 58.100 0.172 0.000 1.417 311 Y CB 0.212 38.735 38.460 0.105 0.000 1.229 311 Y HN -0.177 nan 8.280 nan 0.000 0.532 312 I N 9.281 129.598 120.570 -0.422 0.000 2.328 312 I HA 0.265 4.435 4.170 0.000 0.000 0.287 312 I C -2.367 173.336 176.117 -0.691 0.000 1.012 312 I CA -2.553 58.527 61.300 -0.367 0.000 1.195 312 I CB 0.832 38.753 38.000 -0.132 0.000 1.350 312 I HN 0.541 nan 8.210 nan 0.000 0.464 313 P HA 0.026 nan 4.420 nan 0.000 0.261 313 P C -1.671 175.558 177.300 -0.117 0.000 1.173 313 P CA -0.585 62.369 63.100 -0.243 0.000 0.760 313 P CB 0.060 31.767 31.700 0.011 0.000 0.783 314 P HA -0.204 nan 4.420 nan 0.000 0.221 314 P C 1.137 178.444 177.300 0.011 0.000 1.145 314 P CA 1.390 64.495 63.100 0.008 0.000 0.795 314 P CB -0.043 31.691 31.700 0.057 0.000 0.775 315 E N 0.410 120.622 120.200 0.019 0.000 2.338 315 E HA -0.129 4.221 4.350 0.000 0.000 0.197 315 E C 0.584 177.190 176.600 0.010 0.000 1.007 315 E CA 0.620 57.030 56.400 0.016 0.000 0.849 315 E CB -0.533 29.180 29.700 0.022 0.000 0.774 315 E HN 0.407 nan 8.360 nan 0.000 0.506 316 Q N 1.384 121.186 119.800 0.004 0.000 2.212 316 Q HA 0.394 4.734 4.340 0.000 0.000 0.238 316 Q C -2.302 173.710 176.000 0.019 0.000 0.955 316 Q CA -2.235 53.569 55.803 0.003 0.000 0.906 316 Q CB 0.492 29.222 28.738 -0.013 0.000 1.215 316 Q HN 0.006 nan 8.270 nan 0.000 0.478 317 P HA -0.050 nan 4.420 nan 0.000 0.268 317 P C -1.249 176.085 177.300 0.058 0.000 1.204 317 P CA 0.184 63.306 63.100 0.036 0.000 0.768 317 P CB 0.222 31.927 31.700 0.008 0.000 0.842 318 F N 4.411 124.322 119.950 -0.065 0.000 2.410 318 F HA 0.334 4.862 4.527 0.000 0.000 0.348 318 F C 0.284 176.043 175.800 -0.068 0.000 1.106 318 F CA -0.084 57.868 58.000 -0.081 0.000 1.163 318 F CB 0.681 39.618 39.000 -0.104 0.000 1.129 318 F HN 0.091 nan 8.300 nan 0.000 0.516 322 G N 0.481 109.157 108.800 -0.206 0.000 2.498 322 G HA2 0.148 4.108 3.960 0.000 0.000 0.219 322 G HA3 0.148 4.108 3.960 0.000 0.000 0.219 322 G C 1.352 176.406 174.900 0.256 0.000 1.119 322 G CA 1.500 46.601 45.100 0.002 0.000 0.766 322 G HN 1.254 nan 8.290 nan 0.000 0.552 323 A N 0.069 122.988 122.820 0.165 0.000 2.167 323 A HA 0.327 4.648 4.320 0.000 0.000 0.214 323 A C 2.252 179.887 177.584 0.085 0.000 1.151 323 A CA 0.294 52.437 52.037 0.176 0.000 0.735 323 A CB -0.158 18.879 19.000 0.061 0.000 0.802 323 A HN 0.362 nan 8.150 nan 0.000 0.467 324 L N -0.303 120.896 121.223 -0.039 0.000 2.017 324 L HA -0.124 4.217 4.340 0.000 0.000 0.208 324 L C -0.503 176.236 176.870 -0.219 0.000 1.073 324 L CA 1.627 56.314 54.840 -0.255 0.000 0.745 324 L CB -1.292 40.540 42.059 -0.379 0.000 0.894 324 L HN 0.232 nan 8.230 nan 0.000 0.432 325 P HA -0.190 nan 4.420 nan 0.000 0.218 325 P C 1.056 178.362 177.300 0.009 0.000 1.148 325 P CA 1.540 64.741 63.100 0.169 0.000 0.822 325 P CB -0.052 31.752 31.700 0.172 0.000 0.784 326 Y N -1.558 118.709 120.300 -0.054 0.000 2.337 326 Y HA -0.054 4.497 4.550 0.000 0.000 0.293 326 Y C 2.275 178.159 175.900 -0.026 0.000 1.123 326 Y CA 0.223 58.211 58.100 -0.188 0.000 1.201 326 Y CB -0.992 37.183 38.460 -0.476 0.000 1.011 326 Y HN -0.139 nan 8.280 nan 0.000 0.545 327 L N -0.909 120.353 121.223 0.065 0.000 2.012 327 L HA -0.260 4.080 4.340 0.000 0.000 0.210 327 L C 1.903 178.833 176.870 0.099 0.000 1.073 327 L CA 1.860 56.706 54.840 0.009 0.000 0.748 327 L CB -0.726 41.211 42.059 -0.203 0.000 0.891 327 L HN 0.156 nan 8.230 nan 0.000 0.431 328 Y N -0.159 120.247 120.300 0.177 0.000 2.200 328 Y HA -0.191 4.359 4.550 0.000 0.000 0.290 328 Y C 2.674 178.695 175.900 0.202 0.000 1.137 328 Y CA 1.363 59.585 58.100 0.204 0.000 1.163 328 Y CB -0.862 37.731 38.460 0.222 0.000 0.988 328 Y HN 0.392 nan 8.280 nan 0.000 0.518 329 E N -0.252 120.123 120.200 0.292 0.000 2.110 329 E HA -0.214 4.136 4.350 0.000 0.000 0.193 329 E C 2.420 179.159 176.600 0.231 0.000 0.988 329 E CA 1.397 57.918 56.400 0.201 0.000 0.804 329 E CB -0.152 29.618 29.700 0.117 0.000 0.745 329 E HN 0.341 nan 8.360 nan 0.000 0.458 330 S N -0.072 115.807 115.700 0.299 0.000 2.402 330 S HA -0.123 4.347 4.470 0.000 0.000 0.229 330 S C 1.587 176.329 174.600 0.237 0.000 1.021 330 S CA 1.445 59.819 58.200 0.290 0.000 0.974 330 S CB -0.346 63.063 63.200 0.348 0.000 0.800 330 S HN 0.310 nan 8.310 nan 0.000 0.484 331 N N 0.846 119.715 118.700 0.282 0.000 2.120 331 N HA -0.016 4.724 4.740 0.000 0.000 0.188 331 N C 1.612 177.279 175.510 0.261 0.000 1.024 331 N CA 1.250 54.508 53.050 0.347 0.000 0.852 331 N CB -0.354 38.417 38.487 0.473 0.000 1.003 331 N HN 0.309 nan 8.380 nan 0.000 0.424 332 L N 1.380 122.618 121.223 0.026 0.000 2.042 332 L HA -0.096 4.244 4.340 0.000 0.000 0.210 332 L C 2.161 178.976 176.870 -0.092 0.000 1.076 332 L CA 1.638 56.196 54.840 -0.470 0.000 0.749 332 L CB -0.487 41.370 42.059 -0.336 0.000 0.893 332 L HN 0.081 nan 8.230 nan 0.000 0.432 333 R N -0.816 119.721 120.500 0.061 0.000 2.073 333 R HA -0.212 4.128 4.340 0.000 0.000 0.234 333 R C 2.482 178.832 176.300 0.084 0.000 1.134 333 R CA 2.068 58.238 56.100 0.117 0.000 0.952 333 R CB -0.222 30.174 30.300 0.160 0.000 0.850 333 R HN 0.434 nan 8.270 nan 0.000 0.433 334 R N 0.227 120.785 120.500 0.096 0.000 2.096 334 R HA -0.174 4.166 4.340 0.000 0.000 0.235 334 R C 1.958 178.289 176.300 0.052 0.000 1.127 334 R CA 1.867 57.993 56.100 0.044 0.000 0.968 334 R CB -1.774 28.587 30.300 0.101 0.000 0.861 334 R HN 0.483 nan 8.270 nan 0.000 0.440 335 F N 0.522 120.488 119.950 0.027 0.000 2.134 335 F HA -0.162 4.365 4.527 0.000 0.000 0.299 335 F C 2.364 178.205 175.800 0.069 0.000 1.097 335 F CA 1.612 59.681 58.000 0.114 0.000 1.264 335 F CB -0.393 38.752 39.000 0.241 0.000 1.001 335 F HN 0.241 nan 8.300 nan 0.000 0.479 336 C N 0.274 119.613 119.300 0.065 0.000 2.446 336 C HA -0.104 4.356 4.460 0.000 0.000 0.279 336 C C 2.661 177.524 174.990 -0.211 0.000 1.366 336 C CA 1.120 60.118 59.018 -0.032 0.000 1.763 336 C CB -1.255 26.536 27.740 0.085 0.000 1.929 336 C HN 0.625 nan 8.230 nan 0.000 0.509 337 E N 1.369 121.330 120.200 -0.398 0.000 2.047 337 E HA -0.220 4.130 4.350 0.000 0.000 0.191 337 E C 2.241 178.505 176.600 -0.560 0.000 0.987 337 E CA 0.988 56.883 56.400 -0.841 0.000 0.799 337 E CB -0.142 28.967 29.700 -0.985 0.000 0.752 337 E HN 0.565 nan 8.360 nan 0.000 0.449 338 K N -0.401 119.699 120.400 -0.499 0.000 2.074 338 K HA -0.152 4.168 4.320 0.000 0.000 0.209 338 K C 0.455 176.556 176.600 -0.832 0.000 1.048 338 K CA 1.341 57.227 56.287 -0.668 0.000 0.926 338 K CB -0.097 31.926 32.500 -0.795 0.000 0.713 338 K HN 0.098 nan 8.250 nan 0.000 0.444 339 F N 1.079 120.810 119.950 -0.366 0.000 2.983 339 F HA 0.219 4.746 4.527 0.000 0.000 0.307 339 F C 1.353 177.025 175.800 -0.212 0.000 1.218 339 F CA -0.436 57.379 58.000 -0.308 0.000 1.323 339 F CB 0.232 38.962 39.000 -0.450 0.000 0.989 339 F HN 0.153 nan 8.300 nan 0.000 0.509 340 E N 0.502 120.639 120.200 -0.106 0.000 2.085 340 E HA -0.239 4.111 4.350 0.000 0.000 0.194 340 E C 2.260 178.872 176.600 0.019 0.000 0.994 340 E CA 2.065 58.433 56.400 -0.052 0.000 0.801 340 E CB 0.199 29.856 29.700 -0.070 0.000 0.743 340 E HN 0.477 nan 8.360 nan 0.000 0.453 341 T N -1.821 112.745 114.554 0.020 0.000 2.904 341 T HA -0.117 4.233 4.350 0.000 0.000 0.267 341 T C 1.741 176.468 174.700 0.045 0.000 1.059 341 T CA 1.105 63.228 62.100 0.038 0.000 1.137 341 T CB -0.093 68.792 68.868 0.029 0.000 0.879 341 T HN 0.066 nan 8.240 nan 0.000 0.467 342 Q N 0.597 120.433 119.800 0.060 0.000 2.123 342 Q HA 0.188 4.528 4.340 0.000 0.000 0.199 342 Q C 2.354 178.370 176.000 0.028 0.000 0.966 342 Q CA 1.073 56.899 55.803 0.039 0.000 0.845 342 Q CB -0.341 28.415 28.738 0.029 0.000 0.907 342 Q HN 0.487 nan 8.270 nan 0.000 0.439 343 I N 0.658 121.251 120.570 0.039 0.000 2.179 343 I HA -0.265 3.905 4.170 0.000 0.000 0.242 343 I C 2.413 178.558 176.117 0.047 0.000 1.088 343 I CA 1.967 63.292 61.300 0.042 0.000 1.357 343 I CB -1.357 36.670 38.000 0.045 0.000 1.051 343 I HN 0.422 nan 8.210 nan 0.000 0.409 344 E N 0.978 121.213 120.200 0.057 0.000 2.150 344 E HA -0.191 4.159 4.350 0.000 0.000 0.193 344 E C 2.164 178.787 176.600 0.038 0.000 0.985 344 E CA 1.418 57.854 56.400 0.060 0.000 0.814 344 E CB -0.775 28.970 29.700 0.075 0.000 0.752 344 E HN 0.679 nan 8.360 nan 0.000 0.466 345 S N -2.083 113.635 115.700 0.030 0.000 2.527 345 S HA 0.371 4.841 4.470 0.000 0.000 0.222 345 S C 2.077 176.684 174.600 0.011 0.000 0.985 345 S CA 1.126 59.337 58.200 0.018 0.000 0.921 345 S CB 0.226 63.435 63.200 0.015 0.000 0.772 345 S HN 1.653 nan 8.310 nan 0.000 0.529 346 G N 0.831 109.639 108.800 0.012 0.000 2.175 346 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 346 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 346 G C 0.665 175.562 174.900 -0.005 0.000 0.982 346 G CA 0.421 45.524 45.100 0.005 0.000 0.641 346 G HN 0.511 nan 8.290 nan 0.000 0.527 347 Q N -1.079 118.716 119.800 -0.008 0.000 2.172 347 Q HA 0.204 4.544 4.340 0.000 0.000 0.200 347 Q C 0.827 176.806 176.000 -0.035 0.000 0.964 347 Q CA 0.901 56.689 55.803 -0.025 0.000 0.855 347 Q CB 0.025 28.747 28.738 -0.027 0.000 0.918 347 Q HN 0.618 nan 8.270 nan 0.000 0.444 348 L N 0.717 121.928 121.223 -0.020 0.000 2.333 348 L HA 0.415 4.755 4.340 0.000 0.000 0.280 348 L C -1.445 175.442 176.870 0.028 0.000 1.004 348 L CA -0.558 54.278 54.840 -0.006 0.000 0.820 348 L CB 1.972 44.017 42.059 -0.022 0.000 1.247 348 L HN -0.275 nan 8.230 nan 0.000 0.416 349 V N 6.084 126.021 119.914 0.039 0.000 2.407 349 V HA 0.515 4.636 4.120 0.000 0.000 0.291 349 V C -0.531 175.608 176.094 0.074 0.000 1.018 349 V CA -0.628 61.697 62.300 0.042 0.000 0.842 349 V CB 1.794 33.626 31.823 0.013 0.000 0.996 349 V HN 0.518 nan 8.190 nan 0.000 0.426 350 V N 6.439 126.403 119.914 0.084 0.000 2.384 350 V HA 0.563 4.683 4.120 0.000 0.000 0.287 350 V C 0.019 176.151 176.094 0.063 0.000 1.020 350 V CA -0.648 61.711 62.300 0.098 0.000 0.850 350 V CB 1.812 33.706 31.823 0.119 0.000 0.987 350 V HN 0.806 nan 8.190 nan 0.000 0.436 351 R N 4.531 125.067 120.500 0.059 0.000 2.534 351 R HA 0.713 5.053 4.340 0.000 0.000 0.301 351 R C -1.464 174.854 176.300 0.030 0.000 0.961 351 R CA -0.760 55.368 56.100 0.046 0.000 0.871 351 R CB 2.199 32.534 30.300 0.058 0.000 1.170 351 R HN 0.534 nan 8.270 nan 0.000 0.446 352 L N 2.440 123.673 121.223 0.017 0.000 2.296 352 L HA 0.405 4.745 4.340 0.000 0.000 0.286 352 L C -0.812 176.074 176.870 0.027 0.000 1.023 352 L CA -0.427 54.407 54.840 -0.010 0.000 0.812 352 L CB 1.105 43.152 42.059 -0.021 0.000 1.223 352 L HN 0.549 nan 8.230 nan 0.000 0.421 353 W N 5.568 126.738 121.300 -0.218 0.000 2.365 353 W HA 0.615 5.275 4.660 0.000 0.000 0.316 353 W C -0.217 176.239 176.519 -0.105 0.000 1.164 353 W CA -0.488 56.781 57.345 -0.127 0.000 1.204 353 W CB 0.866 30.210 29.460 -0.193 0.000 1.213 353 W HN 0.376 nan 8.180 nan 0.000 0.539 354 R N 5.144 125.321 120.500 -0.537 0.000 2.515 354 R HA 0.162 4.502 4.340 0.000 0.000 0.278 354 R C -2.140 173.588 176.300 -0.954 0.000 1.107 354 R CA -0.505 55.263 56.100 -0.553 0.000 0.945 354 R CB 1.434 31.571 30.300 -0.272 0.000 1.219 354 R HN 0.489 nan 8.270 nan 0.000 0.434 355 D N 3.633 123.414 120.400 -1.031 0.000 2.405 355 D HA 0.329 4.969 4.640 0.000 0.000 0.264 355 D C 0.735 176.783 176.300 -0.420 0.000 1.240 355 D CA 0.887 54.395 54.000 -0.820 0.000 0.893 355 D CB 0.976 41.101 40.800 -1.125 0.000 1.198 355 D HN 0.865 nan 8.370 nan 0.000 0.514 356 G N 3.769 112.400 108.800 -0.282 0.000 2.602 356 G HA2 -0.402 3.559 3.960 0.000 0.000 0.310 356 G HA3 -0.402 3.559 3.960 0.000 0.000 0.310 356 G C 0.804 175.627 174.900 -0.128 0.000 1.183 356 G CA 0.579 45.582 45.100 -0.161 0.000 0.979 356 G HN 0.512 nan 8.290 nan 0.000 0.545 357 D N 1.567 121.911 120.400 -0.094 0.000 2.360 357 D HA 0.152 4.792 4.640 0.000 0.000 0.210 357 D C 0.988 177.242 176.300 -0.078 0.000 1.047 357 D CA 0.041 54.010 54.000 -0.050 0.000 0.854 357 D CB -0.137 40.653 40.800 -0.016 0.000 0.936 357 D HN 0.357 nan 8.370 nan 0.000 0.514 358 N N 0.346 118.947 118.700 -0.166 0.000 2.415 358 N HA 0.091 4.831 4.740 0.000 0.000 0.248 358 N C 0.382 175.883 175.510 -0.014 0.000 1.271 358 N CA 0.511 53.392 53.050 -0.281 0.000 0.913 358 N CB 1.004 39.016 38.487 -0.791 0.000 1.129 358 N HN 0.151 nan 8.380 nan 0.000 0.444 359 T N -2.309 112.211 114.554 -0.057 0.000 2.940 359 T HA 0.455 4.805 4.350 0.000 0.000 0.288 359 T C -1.032 173.691 174.700 0.037 0.000 1.045 359 T CA -0.739 61.411 62.100 0.084 0.000 1.018 359 T CB 1.379 70.254 68.868 0.010 0.000 1.151 359 T HN 0.432 nan 8.240 nan 0.000 0.529 360 Y N 0.580 120.824 120.300 -0.094 0.000 2.331 360 Y HA 0.553 5.103 4.550 0.000 0.000 0.334 360 Y C -0.380 175.443 175.900 -0.128 0.000 0.960 360 Y CA -0.814 57.119 58.100 -0.277 0.000 1.130 360 Y CB 1.550 39.874 38.460 -0.227 0.000 1.164 360 Y HN 1.023 nan 8.280 nan 0.000 0.458 361 H N 5.654 124.319 119.070 -0.675 0.000 2.767 361 H HA 0.404 4.961 4.556 0.000 0.000 0.235 361 H C -1.479 173.451 175.328 -0.663 0.000 1.256 361 H CA -0.196 55.553 56.048 -0.497 0.000 0.957 361 H CB -0.128 29.570 29.762 -0.107 0.000 2.117 361 H HN 0.626 nan 8.280 nan 0.000 0.602 362 L N 1.742 122.261 121.223 -1.173 0.000 2.349 362 L HA 0.355 4.695 4.340 0.000 0.000 0.275 362 L C -0.218 176.329 176.870 -0.537 0.000 1.115 362 L CA -0.102 54.224 54.840 -0.856 0.000 0.820 362 L CB 1.086 42.632 42.059 -0.855 0.000 1.135 362 L HN 0.245 nan 8.230 nan 0.000 0.445 363 K N 2.134 122.296 120.400 -0.396 0.000 2.427 363 K HA 0.836 5.157 4.320 0.000 0.000 0.252 363 K C -0.429 176.049 176.600 -0.204 0.000 0.931 363 K CA -0.662 55.475 56.287 -0.251 0.000 0.793 363 K CB 2.467 34.804 32.500 -0.271 0.000 1.211 363 K HN 0.745 nan 8.250 nan 0.000 0.426 364 G N 0.430 109.148 108.800 -0.137 0.000 2.556 364 G HA2 0.447 4.407 3.960 0.000 0.000 0.294 364 G HA3 0.447 4.407 3.960 0.000 0.000 0.294 364 G C -1.903 172.874 174.900 -0.205 0.000 1.516 364 G CA -0.573 44.299 45.100 -0.380 0.000 0.824 364 G HN 0.300 nan 8.290 nan 0.000 0.535 365 V N 1.337 121.040 119.914 -0.352 0.000 2.531 365 V HA 0.690 4.810 4.120 0.000 0.000 0.301 365 V C -0.888 175.128 176.094 -0.130 0.000 1.034 365 V CA -0.595 61.685 62.300 -0.033 0.000 0.865 365 V CB 1.857 33.737 31.823 0.095 0.000 0.995 365 V HN 0.707 nan 8.190 nan 0.000 0.424 366 W N 3.549 124.860 121.300 0.018 0.000 2.683 366 W HA 0.666 5.326 4.660 0.000 0.000 0.329 366 W C -1.140 175.385 176.519 0.011 0.000 1.037 366 W CA -0.747 56.614 57.345 0.025 0.000 1.232 366 W CB 2.273 31.730 29.460 -0.005 0.000 1.390 366 W HN 0.264 nan 8.180 nan 0.000 0.465 367 V N 5.080 125.159 119.914 0.275 0.000 2.357 367 V HA 0.160 4.281 4.120 0.000 0.000 0.284 367 V C 0.325 176.527 176.094 0.180 0.000 1.018 367 V CA -0.184 62.235 62.300 0.198 0.000 0.841 367 V CB 0.965 32.928 31.823 0.234 0.000 0.991 367 V HN 0.653 nan 8.190 nan 0.000 0.437 368 D N 3.502 123.961 120.400 0.098 0.000 3.287 368 D HA -0.235 4.406 4.640 0.000 0.000 0.177 368 D C 0.314 176.643 176.300 0.049 0.000 1.205 368 D CA 1.627 55.658 54.000 0.052 0.000 1.054 368 D CB -0.187 40.640 40.800 0.044 0.000 0.550 368 D HN 0.710 nan 8.370 nan 0.000 0.595 369 D N 0.563 120.968 120.400 0.009 0.000 2.559 369 D HA 0.169 4.809 4.640 0.000 0.000 0.234 369 D C 1.286 177.550 176.300 -0.059 0.000 1.226 369 D CA -0.012 53.982 54.000 -0.010 0.000 0.830 369 D CB 0.447 41.224 40.800 -0.039 0.000 1.028 369 D HN 0.204 nan 8.370 nan 0.000 0.492 370 R N -0.590 119.867 120.500 -0.073 0.000 2.225 370 R HA 0.124 4.464 4.340 0.000 0.000 0.194 370 R C -0.191 175.926 176.300 -0.305 0.000 0.949 370 R CA 0.303 56.236 56.100 -0.280 0.000 1.088 370 R CB 0.950 31.023 30.300 -0.379 0.000 1.106 370 R HN 0.015 nan 8.270 nan 0.000 0.566 371 Y N 0.542 120.910 120.300 0.113 0.000 2.425 371 Y HA 0.473 5.023 4.550 0.000 0.000 0.344 371 Y C -0.303 175.639 175.900 0.070 0.000 0.969 371 Y CA -1.058 57.114 58.100 0.121 0.000 1.052 371 Y CB 1.869 40.402 38.460 0.122 0.000 1.215 371 Y HN -0.145 nan 8.280 nan 0.000 0.451 372 I N 5.270 125.951 120.570 0.185 0.000 2.503 372 I HA 0.222 4.393 4.170 0.000 0.000 0.282 372 I C -1.309 174.737 176.117 -0.118 0.000 1.059 372 I CA -0.727 60.543 61.300 -0.049 0.000 1.081 372 I CB 1.675 39.680 38.000 0.010 0.000 1.210 372 I HN 0.376 nan 8.210 nan 0.000 0.450 373 L N 7.641 128.720 121.223 -0.241 0.000 2.264 373 L HA 0.511 4.851 4.340 0.000 0.000 0.289 373 L C -0.730 175.945 176.870 -0.325 0.000 1.044 373 L CA -0.038 54.667 54.840 -0.226 0.000 0.807 373 L CB 0.984 42.947 42.059 -0.161 0.000 1.192 373 L HN 0.419 nan 8.230 nan 0.000 0.425 374 L N 5.243 126.286 121.223 -0.299 0.000 2.282 374 L HA 0.668 5.009 4.340 0.000 0.000 0.288 374 L C 0.113 176.839 176.870 -0.241 0.000 1.033 374 L CA -0.276 54.385 54.840 -0.298 0.000 0.807 374 L CB 1.433 43.242 42.059 -0.417 0.000 1.209 374 L HN 0.686 nan 8.230 nan 0.000 0.423 375 T N 0.943 115.489 114.554 -0.014 0.000 2.957 375 T HA 0.387 4.738 4.350 0.000 0.000 0.336 375 T C 0.542 175.281 174.700 0.065 0.000 1.462 375 T CA -0.078 62.067 62.100 0.075 0.000 1.073 375 T CB 1.631 70.466 68.868 -0.054 0.000 1.319 375 T HN 0.679 nan 8.240 nan 0.000 0.485 376 G N 2.305 111.137 108.800 0.053 0.000 3.088 376 G HA2 0.102 4.062 3.960 0.000 0.000 0.212 376 G HA3 0.102 4.062 3.960 0.000 0.000 0.212 376 G C 0.562 175.392 174.900 -0.116 0.000 1.173 376 G CA -0.251 44.802 45.100 -0.078 0.000 0.779 376 G HN 0.666 nan 8.290 nan 0.000 0.540 377 N N 1.275 119.927 118.700 -0.079 0.000 2.452 377 N HA 0.011 4.751 4.740 0.000 0.000 0.266 377 N C 0.582 176.048 175.510 -0.073 0.000 1.175 377 N CA -0.208 52.800 53.050 -0.070 0.000 0.945 377 N CB 0.504 38.972 38.487 -0.032 0.000 1.063 377 N HN -0.055 nan 8.380 nan 0.000 0.472 378 N N 3.649 122.291 118.700 -0.097 0.000 2.571 378 N HA 0.013 4.753 4.740 0.000 0.000 0.189 378 N C 0.231 175.722 175.510 -0.031 0.000 1.154 378 N CA 0.142 53.132 53.050 -0.101 0.000 0.907 378 N CB -0.193 38.248 38.487 -0.078 0.000 0.977 378 N HN 0.624 nan 8.380 nan 0.000 0.449 379 L N 0.467 121.756 121.223 0.110 0.000 3.597 379 L HA -0.281 4.059 4.340 0.000 0.000 0.440 379 L C -0.450 176.404 176.870 -0.026 0.000 1.277 379 L CA 0.160 55.094 54.840 0.157 0.000 0.852 379 L CB -2.145 40.031 42.059 0.196 0.000 1.708 379 L HN 0.374 nan 8.230 nan 0.000 0.885 380 N N -2.668 116.057 118.700 0.043 0.000 2.509 380 N HA 0.596 5.336 4.740 0.000 0.000 0.280 380 N C -2.259 173.286 175.510 0.059 0.000 1.306 380 N CA -2.240 50.788 53.050 -0.036 0.000 0.782 380 N CB 0.895 39.363 38.487 -0.032 0.000 1.493 380 N HN -0.349 nan 8.380 nan 0.000 0.498 381 P HA -0.086 nan 4.420 nan 0.000 0.216 381 P C 1.174 178.577 177.300 0.173 0.000 1.150 381 P CA 1.554 64.707 63.100 0.087 0.000 0.843 381 P CB 0.252 31.980 31.700 0.047 0.000 0.787 382 R N -0.434 120.152 120.500 0.143 0.000 2.094 382 R HA -0.166 4.174 4.340 0.000 0.000 0.239 382 R C 2.242 178.652 176.300 0.185 0.000 1.137 382 R CA 1.930 58.123 56.100 0.156 0.000 0.943 382 R CB -1.229 29.163 30.300 0.152 0.000 0.850 382 R HN 0.156 nan 8.270 nan 0.000 0.433 383 A N 0.145 123.091 122.820 0.210 0.000 1.972 383 A HA -0.170 4.150 4.320 0.000 0.000 0.219 383 A C 1.771 179.439 177.584 0.140 0.000 1.169 383 A CA 0.842 52.985 52.037 0.176 0.000 0.635 383 A CB -0.762 18.361 19.000 0.206 0.000 0.810 383 A HN 0.526 nan 8.150 nan 0.000 0.446 384 W N -1.147 120.138 121.300 -0.025 0.000 2.937 384 W HA 0.082 4.742 4.660 0.000 0.000 0.245 384 W C 2.229 178.735 176.519 -0.021 0.000 1.306 384 W CA 0.967 58.289 57.345 -0.038 0.000 1.470 384 W CB 0.118 29.555 29.460 -0.039 0.000 1.132 384 W HN 0.444 nan 8.180 nan 0.000 0.675 385 R N -1.434 119.152 120.500 0.143 0.000 2.650 385 R HA 0.068 4.408 4.340 0.000 0.000 0.212 385 R C 1.633 177.983 176.300 0.084 0.000 0.904 385 R CA 0.220 56.383 56.100 0.104 0.000 1.021 385 R CB -0.117 30.268 30.300 0.142 0.000 1.519 385 R HN 0.125 nan 8.270 nan 0.000 0.639 386 L N -0.207 121.080 121.223 0.107 0.000 2.694 386 L HA 0.369 4.709 4.340 0.000 0.000 0.228 386 L C -0.255 176.692 176.870 0.128 0.000 1.048 386 L CA -0.213 54.709 54.840 0.136 0.000 0.887 386 L CB 0.345 42.505 42.059 0.169 0.000 1.265 386 L HN -0.052 nan 8.230 nan 0.000 0.492 387 D N 1.141 121.621 120.400 0.134 0.000 2.229 387 D HA 0.467 5.107 4.640 0.000 0.000 0.249 387 D C -0.171 176.189 176.300 0.100 0.000 1.027 387 D CA -0.119 53.986 54.000 0.176 0.000 0.923 387 D CB 2.039 43.046 40.800 0.346 0.000 1.174 387 D HN 0.023 nan 8.370 nan 0.000 0.443 388 A N 1.836 124.742 122.820 0.144 0.000 2.320 388 A HA 0.440 4.760 4.320 0.000 0.000 0.287 388 A C 0.016 177.692 177.584 0.154 0.000 1.181 388 A CA -0.354 51.757 52.037 0.124 0.000 0.831 388 A CB 0.542 19.727 19.000 0.308 0.000 1.102 388 A HN 0.358 nan 8.150 nan 0.000 0.513 389 E N 1.043 121.219 120.200 -0.039 0.000 2.369 389 E HA 0.409 4.759 4.350 0.000 0.000 0.270 389 E C -0.948 175.664 176.600 0.020 0.000 0.909 389 E CA -0.620 55.786 56.400 0.009 0.000 0.775 389 E CB 2.292 31.926 29.700 -0.110 0.000 1.270 389 E HN 0.933 nan 8.360 nan 0.000 0.445 390 N N -1.282 117.485 118.700 0.112 0.000 2.774 390 N HA 0.795 5.536 4.740 0.000 0.000 0.264 390 N C -0.663 174.871 175.510 0.039 0.000 1.415 390 N CA -0.945 52.179 53.050 0.124 0.000 0.815 390 N CB 2.378 41.038 38.487 0.290 0.000 1.514 390 N HN 0.448 nan 8.380 nan 0.000 0.523 391 G N -0.246 108.500 108.800 -0.091 0.000 2.632 391 G HA2 0.464 4.424 3.960 0.000 0.000 0.292 391 G HA3 0.464 4.424 3.960 0.000 0.000 0.292 391 G C -1.877 172.782 174.900 -0.402 0.000 1.465 391 G CA -0.808 44.161 45.100 -0.219 0.000 0.824 391 G HN 0.440 nan 8.290 nan 0.000 0.509 392 L N 1.119 122.026 121.223 -0.526 0.000 2.298 392 L HA 0.489 4.829 4.340 0.000 0.000 0.284 392 L C -0.685 176.014 176.870 -0.284 0.000 1.013 392 L CA -0.907 53.658 54.840 -0.459 0.000 0.824 392 L CB 1.775 43.484 42.059 -0.584 0.000 1.221 392 L HN 0.373 nan 8.230 nan 0.000 0.418 393 L N 5.601 126.722 121.223 -0.170 0.000 2.255 393 L HA 0.476 4.816 4.340 0.000 0.000 0.289 393 L C -0.312 176.649 176.870 0.152 0.000 1.046 393 L CA 0.093 54.926 54.840 -0.012 0.000 0.816 393 L CB 0.762 42.836 42.059 0.025 0.000 1.197 393 L HN 0.377 nan 8.230 nan 0.000 0.427 394 I N 5.806 126.452 120.570 0.128 0.000 2.325 394 I HA 0.147 4.317 4.170 0.000 0.000 0.291 394 I C -0.946 175.326 176.117 0.259 0.000 1.019 394 I CA -0.467 60.930 61.300 0.162 0.000 1.302 394 I CB 0.667 38.708 38.000 0.068 0.000 1.401 394 I HN 0.514 nan 8.210 nan 0.000 0.485 395 Y N 6.282 126.585 120.300 0.005 0.000 2.335 395 Y HA 0.337 4.887 4.550 0.000 0.000 0.339 395 Y C -0.509 175.231 175.900 -0.265 0.000 0.987 395 Y CA -1.234 56.715 58.100 -0.251 0.000 1.140 395 Y CB 1.055 39.104 38.460 -0.684 0.000 1.173 395 Y HN 0.473 nan 8.280 nan 0.000 0.486 396 D N 8.819 128.915 120.400 -0.507 0.000 2.502 396 D HA 0.317 4.957 4.640 0.000 0.000 0.301 396 D C -2.010 173.932 176.300 -0.596 0.000 1.202 396 D CA -2.285 51.450 54.000 -0.441 0.000 0.878 396 D CB 1.051 41.734 40.800 -0.194 0.000 1.062 396 D HN 0.330 nan 8.370 nan 0.000 0.499 397 P HA -0.143 nan 4.420 nan 0.000 0.220 397 P C 0.560 177.645 177.300 -0.358 0.000 1.148 397 P CA 0.992 63.670 63.100 -0.704 0.000 0.803 397 P CB 0.425 31.687 31.700 -0.731 0.000 0.782 398 Q N -1.151 118.478 119.800 -0.286 0.000 2.198 398 Q HA 0.159 4.499 4.340 0.000 0.000 0.209 398 Q C -0.233 175.685 176.000 -0.135 0.000 0.848 398 Q CA -0.205 55.493 55.803 -0.175 0.000 0.974 398 Q CB 0.365 29.020 28.738 -0.139 0.000 1.115 398 Q HN 0.007 nan 8.270 nan 0.000 0.494 399 Q N -0.349 119.361 119.800 -0.150 0.000 2.502 399 Q HA -0.263 4.077 4.340 0.000 0.000 0.273 399 Q C 0.681 176.641 176.000 -0.067 0.000 1.127 399 Q CA 0.763 56.507 55.803 -0.098 0.000 0.952 399 Q CB -1.892 26.798 28.738 -0.079 0.000 1.333 399 Q HN 0.450 nan 8.270 nan 0.000 0.494 400 Q N -0.698 119.058 119.800 -0.073 0.000 2.170 400 Q HA -0.076 4.264 4.340 0.000 0.000 0.203 400 Q C 1.252 177.247 176.000 -0.008 0.000 0.976 400 Q CA 1.331 57.108 55.803 -0.042 0.000 0.858 400 Q CB 0.052 28.759 28.738 -0.051 0.000 0.907 400 Q HN 0.479 nan 8.270 nan 0.000 0.433 401 L N 0.007 121.231 121.223 0.002 0.000 2.728 401 L HA 0.082 4.423 4.340 0.000 0.000 0.238 401 L C 1.247 178.142 176.870 0.042 0.000 1.143 401 L CA 0.212 55.088 54.840 0.059 0.000 0.937 401 L CB 0.279 42.404 42.059 0.109 0.000 1.225 401 L HN 0.147 nan 8.230 nan 0.000 0.507 402 L N 0.283 121.507 121.223 0.001 0.000 2.046 402 L HA -0.100 4.240 4.340 0.000 0.000 0.208 402 L C 2.472 179.325 176.870 -0.028 0.000 1.077 402 L CA 2.228 57.057 54.840 -0.017 0.000 0.747 402 L CB -0.859 41.181 42.059 -0.032 0.000 0.896 402 L HN 0.284 nan 8.230 nan 0.000 0.432 403 A N -1.163 121.648 122.820 -0.015 0.000 1.908 403 A HA -0.283 4.038 4.320 0.000 0.000 0.218 403 A C 2.209 179.778 177.584 -0.024 0.000 1.181 403 A CA 1.952 53.978 52.037 -0.018 0.000 0.627 403 A CB -0.606 18.393 19.000 -0.001 0.000 0.818 403 A HN 0.644 nan 8.150 nan 0.000 0.445 404 Q N -0.699 119.105 119.800 0.007 0.000 2.119 404 Q HA -0.081 4.259 4.340 0.000 0.000 0.201 404 Q C 2.103 177.963 176.000 -0.233 0.000 0.972 404 Q CA 1.480 57.291 55.803 0.012 0.000 0.847 404 Q CB -0.271 28.597 28.738 0.217 0.000 0.903 404 Q HN 0.492 nan 8.270 nan 0.000 0.433 405 V N 1.227 121.005 119.914 -0.227 0.000 2.358 405 V HA -0.251 3.869 4.120 0.000 0.000 0.246 405 V C 1.911 177.855 176.094 -0.250 0.000 1.047 405 V CA 1.878 63.977 62.300 -0.334 0.000 1.035 405 V CB -0.459 31.318 31.823 -0.076 0.000 0.658 405 V HN 0.371 nan 8.190 nan 0.000 0.452 406 E N 0.026 120.129 120.200 -0.162 0.000 2.085 406 E HA -0.288 4.062 4.350 0.000 0.000 0.194 406 E C 2.279 178.802 176.600 -0.128 0.000 0.994 406 E CA 1.400 57.714 56.400 -0.143 0.000 0.801 406 E CB -0.190 29.452 29.700 -0.097 0.000 0.743 406 E HN 0.508 nan 8.360 nan 0.000 0.453 407 K N 1.215 121.552 120.400 -0.105 0.000 2.026 407 K HA -0.231 4.089 4.320 0.000 0.000 0.208 407 K C 2.186 178.750 176.600 -0.059 0.000 1.048 407 K CA 1.440 57.692 56.287 -0.059 0.000 0.929 407 K CB -0.014 32.474 32.500 -0.020 0.000 0.713 407 K HN 0.051 nan 8.250 nan 0.000 0.439 408 E N 0.509 120.634 120.200 -0.126 0.000 2.058 408 E HA -0.255 4.095 4.350 0.000 0.000 0.194 408 E C 2.097 178.662 176.600 -0.057 0.000 0.997 408 E CA 1.508 57.862 56.400 -0.077 0.000 0.801 408 E CB 0.057 29.641 29.700 -0.193 0.000 0.746 408 E HN 0.388 nan 8.360 nan 0.000 0.450 409 Q N -0.101 119.604 119.800 -0.158 0.000 2.096 409 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 409 Q C 2.035 177.964 176.000 -0.119 0.000 0.982 409 Q CA 1.421 57.086 55.803 -0.231 0.000 0.850 409 Q CB -0.072 28.422 28.738 -0.407 0.000 0.901 409 Q HN 0.251 nan 8.270 nan 0.000 0.422 410 N N 0.225 118.874 118.700 -0.085 0.000 2.216 410 N HA -0.153 4.588 4.740 0.000 0.000 0.183 410 N C 1.685 177.199 175.510 0.006 0.000 1.017 410 N CA 0.917 53.940 53.050 -0.044 0.000 0.861 410 N CB -0.204 38.254 38.487 -0.048 0.000 0.986 410 N HN 0.154 nan 8.380 nan 0.000 0.428 411 Q N 1.233 121.056 119.800 0.039 0.000 2.030 411 Q HA 0.013 4.353 4.340 0.000 0.000 0.204 411 Q C 2.005 178.133 176.000 0.212 0.000 0.986 411 Q CA 1.263 57.131 55.803 0.109 0.000 0.843 411 Q CB -0.519 28.311 28.738 0.152 0.000 0.904 411 Q HN 0.388 nan 8.270 nan 0.000 0.420 412 I N -0.067 120.633 120.570 0.216 0.000 2.194 412 I HA -0.338 3.833 4.170 0.000 0.000 0.246 412 I C 2.228 178.550 176.117 0.341 0.000 1.093 412 I CA 1.510 63.005 61.300 0.324 0.000 1.355 412 I CB -0.209 37.873 38.000 0.136 0.000 1.046 412 I HN 0.199 nan 8.210 nan 0.000 0.413 413 R N -0.050 120.543 120.500 0.156 0.000 2.235 413 R HA -0.101 4.240 4.340 0.000 0.000 0.213 413 R C 2.176 178.523 176.300 0.078 0.000 1.059 413 R CA 0.340 56.511 56.100 0.117 0.000 0.997 413 R CB -0.120 30.191 30.300 0.018 0.000 0.884 413 R HN 0.392 nan 8.270 nan 0.000 0.462 414 Q N 0.344 120.153 119.800 0.016 0.000 2.082 414 Q HA -0.191 4.149 4.340 0.000 0.000 0.211 414 Q C 0.941 176.760 176.000 -0.302 0.000 1.002 414 Q CA 1.603 57.284 55.803 -0.202 0.000 0.868 414 Q CB -0.252 28.247 28.738 -0.398 0.000 0.931 414 Q HN 0.546 nan 8.270 nan 0.000 0.414 415 H N -0.003 119.065 119.070 -0.004 0.000 2.605 415 H HA 0.220 4.777 4.556 0.000 0.000 0.308 415 H C 0.198 175.335 175.328 -0.320 0.000 1.080 415 H CA 0.319 56.181 56.048 -0.310 0.000 1.119 415 H CB -0.219 29.101 29.762 -0.737 0.000 1.479 415 H HN 0.185 nan 8.280 nan 0.000 0.537 416 T N -1.590 112.959 114.554 -0.010 0.000 2.932 416 T HA 0.641 4.991 4.350 0.000 0.000 0.289 416 T C -0.144 174.553 174.700 -0.006 0.000 1.039 416 T CA -0.989 61.131 62.100 0.034 0.000 1.024 416 T CB 2.815 71.766 68.868 0.138 0.000 1.090 416 T HN 0.077 nan 8.240 nan 0.000 0.496 417 K N 1.384 121.781 120.400 -0.005 0.000 2.378 417 K HA 0.600 4.920 4.320 0.000 0.000 0.252 417 K C -1.073 175.532 176.600 0.008 0.000 0.931 417 K CA -0.951 55.331 56.287 -0.008 0.000 0.794 417 K CB 2.584 35.071 32.500 -0.021 0.000 1.181 417 K HN 0.482 nan 8.250 nan 0.000 0.425 418 V N 4.167 124.087 119.914 0.010 0.000 2.508 418 V HA 0.089 4.210 4.120 0.000 0.000 0.281 418 V C 0.412 176.520 176.094 0.025 0.000 1.041 418 V CA -0.511 61.801 62.300 0.019 0.000 1.016 418 V CB 0.435 32.267 31.823 0.015 0.000 0.984 418 V HN 0.629 nan 8.190 nan 0.000 0.478 419 L N 5.177 126.421 121.223 0.035 0.000 2.410 419 L HA 0.205 4.545 4.340 0.000 0.000 0.273 419 L C 1.405 178.309 176.870 0.056 0.000 1.144 419 L CA 0.153 55.020 54.840 0.045 0.000 0.863 419 L CB 0.743 42.834 42.059 0.053 0.000 1.140 419 L HN 0.918 nan 8.230 nan 0.000 0.463 420 K N 3.845 124.285 120.400 0.066 0.000 2.367 420 K HA 0.089 4.409 4.320 0.000 0.000 0.194 420 K C 0.448 177.142 176.600 0.158 0.000 1.027 420 K CA 0.502 56.840 56.287 0.084 0.000 1.075 420 K CB 0.219 32.755 32.500 0.061 0.000 0.845 420 K HN 0.777 nan 8.250 nan 0.000 0.529 421 H N -1.667 117.415 119.070 0.021 0.000 3.094 421 H HA 0.103 4.659 4.556 0.000 0.000 0.335 421 H C 0.073 175.410 175.328 0.015 0.000 1.254 421 H CA -0.237 55.822 56.048 0.018 0.000 1.240 421 H CB 1.226 30.951 29.762 -0.062 0.000 1.936 421 H HN 0.112 nan 8.280 nan 0.000 0.536 422 Y N 1.832 121.860 120.300 -0.454 0.000 2.274 422 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 422 Y C 2.045 177.941 175.900 -0.006 0.000 1.145 422 Y CA 1.551 59.539 58.100 -0.186 0.000 1.203 422 Y CB -0.863 37.463 38.460 -0.223 0.000 0.984 422 Y HN 0.451 nan 8.280 nan 0.000 0.533 423 T N -1.892 112.364 114.554 -0.496 0.000 3.155 423 T HA -0.088 4.262 4.350 0.000 0.000 0.264 423 T C 1.093 175.764 174.700 -0.049 0.000 1.160 423 T CA 1.039 62.989 62.100 -0.250 0.000 1.075 423 T CB -0.486 68.251 68.868 -0.220 0.000 0.921 423 T HN 0.647 nan 8.240 nan 0.000 0.533 424 E N 0.485 120.691 120.200 0.009 0.000 2.427 424 E HA 0.158 4.508 4.350 0.000 0.000 0.196 424 E C 0.249 176.869 176.600 0.035 0.000 1.028 424 E CA 0.186 56.600 56.400 0.022 0.000 0.864 424 E CB -0.005 29.717 29.700 0.036 0.000 0.813 424 E HN 0.574 nan 8.360 nan 0.000 0.514 425 L N 1.799 123.052 121.223 0.051 0.000 2.307 425 L HA 0.216 4.557 4.340 0.000 0.000 0.282 425 L C 0.280 177.207 176.870 0.096 0.000 1.051 425 L CA -0.551 54.341 54.840 0.087 0.000 0.804 425 L CB 1.338 43.464 42.059 0.111 0.000 1.197 425 L HN -0.103 nan 8.230 nan 0.000 0.431 426 E N 1.504 121.791 120.200 0.145 0.000 2.392 426 E HA 0.246 4.597 4.350 0.000 0.000 0.264 426 E C 0.191 176.783 176.600 -0.013 0.000 1.024 426 E CA -0.050 56.416 56.400 0.111 0.000 0.903 426 E CB 0.637 30.481 29.700 0.239 0.000 0.963 426 E HN 0.657 nan 8.360 nan 0.000 0.432 427 E N 2.148 122.281 120.200 -0.112 0.000 2.371 427 E HA 0.017 4.367 4.350 0.000 0.000 0.257 427 E C 0.669 176.919 176.600 -0.583 0.000 1.134 427 E CA -0.461 55.807 56.400 -0.220 0.000 0.919 427 E CB 0.295 29.931 29.700 -0.106 0.000 1.025 427 E HN 0.530 nan 8.360 nan 0.000 0.438 428 L N 1.734 122.616 121.223 -0.568 0.000 2.043 428 L HA -0.225 4.115 4.340 0.000 0.000 0.212 428 L C 2.544 179.154 176.870 -0.434 0.000 1.075 428 L CA 3.492 57.917 54.840 -0.691 0.000 0.752 428 L CB -1.219 40.695 42.059 -0.241 0.000 0.891 428 L HN 0.910 nan 8.230 nan 0.000 0.432 429 N N -1.339 117.218 118.700 -0.239 0.000 2.258 429 N HA -0.247 4.493 4.740 0.000 0.000 0.187 429 N C 1.785 177.240 175.510 -0.092 0.000 1.012 429 N CA 2.203 55.178 53.050 -0.126 0.000 0.870 429 N CB -0.970 37.468 38.487 -0.082 0.000 0.977 429 N HN 0.732 nan 8.380 nan 0.000 0.434 430 Q N -1.062 118.666 119.800 -0.119 0.000 2.424 430 Q HA 0.268 4.608 4.340 0.000 0.000 0.204 430 Q C 0.563 176.660 176.000 0.161 0.000 0.933 430 Q CA -0.091 55.718 55.803 0.010 0.000 0.929 430 Q CB -0.340 28.415 28.738 0.030 0.000 1.037 430 Q HN 0.783 nan 8.270 nan 0.000 0.511 431 Y N 0.819 121.136 120.300 0.030 0.000 2.426 431 Y HA 0.318 4.868 4.550 0.000 0.000 0.344 431 Y C -1.900 173.938 175.900 -0.104 0.000 1.256 431 Y CA -3.079 55.021 58.100 -0.001 0.000 1.451 431 Y CB 0.071 38.483 38.460 -0.080 0.000 1.342 431 Y HN 0.126 nan 8.280 nan 0.000 0.600 432 P HA 0.055 nan 4.420 nan 0.000 0.266 432 P C 0.765 177.937 177.300 -0.214 0.000 1.193 432 P CA 0.986 64.004 63.100 -0.136 0.000 0.770 432 P CB 0.428 31.986 31.700 -0.238 0.000 0.836 433 E N 5.356 125.450 120.200 -0.177 0.000 2.049 433 E HA -0.205 4.145 4.350 0.000 0.000 0.198 433 E C -0.565 175.867 176.600 -0.281 0.000 1.007 433 E CA 2.084 58.377 56.400 -0.178 0.000 0.809 433 E CB -2.898 26.729 29.700 -0.123 0.000 0.749 433 E HN 0.558 nan 8.360 nan 0.000 0.450 434 P HA -0.063 nan 4.420 nan 0.000 0.220 434 P C 1.675 178.471 177.300 -0.840 0.000 1.148 434 P CA 1.251 64.003 63.100 -0.581 0.000 0.803 434 P CB 0.040 31.303 31.700 -0.728 0.000 0.782 435 V N 0.667 120.014 119.914 -0.946 0.000 2.358 435 V HA -0.229 3.891 4.120 0.000 0.000 0.246 435 V C 2.889 178.750 176.094 -0.387 0.000 1.047 435 V CA 1.782 63.604 62.300 -0.797 0.000 1.035 435 V CB -1.267 29.967 31.823 -0.982 0.000 0.658 435 V HN 0.128 nan 8.190 nan 0.000 0.452 436 Q N -0.088 119.559 119.800 -0.255 0.000 2.050 436 Q HA -0.287 4.053 4.340 0.000 0.000 0.202 436 Q C 2.357 178.283 176.000 -0.124 0.000 0.980 436 Q CA 1.960 57.699 55.803 -0.108 0.000 0.840 436 Q CB -0.269 28.420 28.738 -0.081 0.000 0.898 436 Q HN 0.585 nan 8.270 nan 0.000 0.424 437 K N 0.506 120.805 120.400 -0.168 0.000 2.044 437 K HA -0.222 4.098 4.320 0.000 0.000 0.210 437 K C 2.026 178.545 176.600 -0.136 0.000 1.049 437 K CA 1.156 57.364 56.287 -0.130 0.000 0.927 437 K CB -0.135 32.281 32.500 -0.139 0.000 0.713 437 K HN 0.052 nan 8.250 nan 0.000 0.443 438 L N 1.365 122.461 121.223 -0.211 0.000 2.005 438 L HA -0.099 4.241 4.340 0.000 0.000 0.207 438 L C 2.036 178.708 176.870 -0.330 0.000 1.072 438 L CA 1.520 56.171 54.840 -0.314 0.000 0.744 438 L CB -0.551 41.298 42.059 -0.349 0.000 0.895 438 L HN 0.257 nan 8.230 nan 0.000 0.433 439 L N -0.828 120.273 121.223 -0.204 0.000 2.129 439 L HA -0.295 4.046 4.340 0.000 0.000 0.212 439 L C 2.490 179.382 176.870 0.037 0.000 1.087 439 L CA 1.532 56.342 54.840 -0.050 0.000 0.757 439 L CB -0.670 41.409 42.059 0.034 0.000 0.896 439 L HN 0.291 nan 8.230 nan 0.000 0.434 440 K N 0.045 120.449 120.400 0.007 0.000 2.076 440 K HA -0.092 4.228 4.320 0.000 0.000 0.204 440 K C 2.148 178.789 176.600 0.069 0.000 1.051 440 K CA 0.904 57.212 56.287 0.034 0.000 0.949 440 K CB 0.030 32.533 32.500 0.005 0.000 0.726 440 K HN 0.278 nan 8.250 nan 0.000 0.443 441 K N 0.211 120.654 120.400 0.073 0.000 2.026 441 K HA -0.108 4.212 4.320 0.000 0.000 0.208 441 K C 2.016 178.782 176.600 0.278 0.000 1.048 441 K CA 1.295 57.668 56.287 0.143 0.000 0.929 441 K CB -0.240 32.345 32.500 0.141 0.000 0.713 441 K HN -0.014 nan 8.250 nan 0.000 0.439 442 F N 1.504 121.458 119.950 0.007 0.000 2.069 442 F HA -0.162 4.365 4.527 0.000 0.000 0.298 442 F C 2.656 178.462 175.800 0.011 0.000 1.113 442 F CA 0.968 58.971 58.000 0.006 0.000 1.214 442 F CB -1.205 37.797 39.000 0.002 0.000 0.978 442 F HN 0.044 nan 8.300 nan 0.000 0.474 443 A N -0.336 122.616 122.820 0.219 0.000 1.978 443 A HA -0.205 4.115 4.320 0.000 0.000 0.220 443 A C 2.370 180.003 177.584 0.081 0.000 1.170 443 A CA 1.498 53.609 52.037 0.124 0.000 0.636 443 A CB -0.722 18.340 19.000 0.102 0.000 0.810 443 A HN 0.316 nan 8.150 nan 0.000 0.448 444 R N -0.523 120.027 120.500 0.083 0.000 2.120 444 R HA -0.066 4.274 4.340 0.000 0.000 0.234 444 R C 1.274 177.597 176.300 0.037 0.000 1.123 444 R CA 1.622 57.755 56.100 0.055 0.000 0.975 444 R CB -0.319 30.015 30.300 0.056 0.000 0.866 444 R HN 0.804 nan 8.270 nan 0.000 0.446 445 I N -4.030 116.559 120.570 0.032 0.000 3.936 445 I HA 0.365 4.535 4.170 0.000 0.000 0.330 445 I C 0.459 176.559 176.117 -0.027 0.000 1.509 445 I CA 0.100 61.398 61.300 -0.003 0.000 1.126 445 I CB 0.797 38.785 38.000 -0.020 0.000 1.115 445 I HN -0.089 nan 8.210 nan 0.000 0.424 446 K N 0.626 121.023 120.400 -0.006 0.000 3.193 446 K HA -0.280 4.040 4.320 0.000 0.000 0.294 446 K C 1.230 177.795 176.600 -0.059 0.000 1.185 446 K CA 1.348 57.629 56.287 -0.011 0.000 0.866 446 K CB -2.762 29.734 32.500 -0.007 0.000 1.227 446 K HN 0.917 nan 8.250 nan 0.000 0.467 447 A N 1.405 124.142 122.820 -0.138 0.000 2.070 447 A HA -0.059 4.261 4.320 0.000 0.000 0.220 447 A C 2.101 179.551 177.584 -0.224 0.000 1.159 447 A CA 1.925 53.770 52.037 -0.320 0.000 0.656 447 A CB -0.289 18.243 19.000 -0.781 0.000 0.800 447 A HN 1.025 nan 8.150 nan 0.000 0.453 448 D N 0.433 120.811 120.400 -0.036 0.000 2.149 448 D HA -0.207 4.433 4.640 0.000 0.000 0.201 448 D C 1.734 178.055 176.300 0.036 0.000 0.972 448 D CA 1.470 55.510 54.000 0.068 0.000 0.835 448 D CB -0.600 40.284 40.800 0.140 0.000 0.966 448 D HN 0.600 nan 8.370 nan 0.000 0.476 449 K N 0.330 120.743 120.400 0.021 0.000 2.032 449 K HA -0.172 4.148 4.320 0.000 0.000 0.209 449 K C 2.182 178.786 176.600 0.006 0.000 1.048 449 K CA 1.034 57.335 56.287 0.024 0.000 0.927 449 K CB -0.295 32.216 32.500 0.019 0.000 0.712 449 K HN 0.149 nan 8.250 nan 0.000 0.441 450 L N 1.369 122.573 121.223 -0.031 0.000 2.017 450 L HA -0.140 4.200 4.340 0.000 0.000 0.208 450 L C 2.110 178.959 176.870 -0.035 0.000 1.073 450 L CA 1.478 56.292 54.840 -0.043 0.000 0.745 450 L CB -0.565 41.440 42.059 -0.090 0.000 0.894 450 L HN 0.065 nan 8.230 nan 0.000 0.432 451 V N -0.370 119.517 119.914 -0.045 0.000 2.380 451 V HA -0.278 3.842 4.120 0.000 0.000 0.251 451 V C 1.844 177.955 176.094 0.028 0.000 1.063 451 V CA 1.557 63.843 62.300 -0.023 0.000 1.055 451 V CB -0.722 31.094 31.823 -0.012 0.000 0.657 451 V HN 0.415 nan 8.190 nan 0.000 0.455 455 L N 0.000 121.242 121.223 0.031 0.000 2.949 455 L HA 0.000 4.340 4.340 0.000 0.000 0.249 455 L CA 0.000 54.870 54.840 0.049 0.000 0.813 455 L CB 0.000 42.073 42.059 0.023 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502