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_C DATA FIRST_RESID 4 DATA SEQUENCE NKTKRAEQNL NNLPFLALQA EQIEFLGSSA EFKTQIIELI RNAKKRIYVT DATA SEQUENCE ALYWQKDEAG QEILDEIYRV KQENPHLDVK VLIDWHRAQR NLLXXXXSAT DATA SEQUENCE NADWYCEQRQ TYQLPDDPNX FFGVPINTRE VFGVLHVKGF VFDDTVLYSG DATA SEQUENCE ASINNVYLHQ FEKYRYDRYQ KITHAELADS XVNFINDYLL DFSAVYPLDV DATA SEQUENCE TNRPRTKEIR GNIRAYRKDL AQNGEYSLKS AVKLPNVLSV SPLFGLGASG DATA SEQUENCE NELNQVIEDL FLQVQKKLVI CTPYFNFPRT LQHKIATLLE NGKRVEIIVG DATA SEQUENCE DKVANDFYIP PEQPFKXAGA LPYLYESNLR RFCEKFETQI ESGQLVVRLW DATA SEQUENCE RDGDNTYHLK GVWVDDRYIL LTGNNLNPRA WRLDAENGLL IYDPQQQLLA DATA SEQUENCE QVEKEQNQIR QHTKVLKHYT ELEELNQYPE PVQKLLKKFA RIKADKLVKX DATA SEQUENCE IL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.516 175.510 0.010 0.000 1.280 4 N CA 0.000 53.055 53.050 0.009 0.000 0.885 4 N CB 0.000 38.493 38.487 0.010 0.000 1.341 5 K N 0.469 120.876 120.400 0.012 0.000 2.147 5 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 5 K C 1.541 178.151 176.600 0.016 0.000 1.049 5 K CA 2.371 58.666 56.287 0.014 0.000 0.936 5 K CB -1.127 31.383 32.500 0.017 0.000 0.722 5 K HN 0.675 nan 8.250 nan 0.000 0.446 6 T N 0.392 114.957 114.554 0.019 0.000 2.812 6 T HA -0.051 4.298 4.350 -0.000 0.000 0.264 6 T C 2.057 176.769 174.700 0.019 0.000 1.042 6 T CA 1.443 63.556 62.100 0.023 0.000 1.140 6 T CB -0.068 68.815 68.868 0.025 0.000 0.870 6 T HN 0.548 nan 8.240 nan 0.000 0.445 7 K N 0.669 121.078 120.400 0.016 0.000 2.155 7 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 7 K C 2.513 179.118 176.600 0.010 0.000 1.052 7 K CA 0.606 56.901 56.287 0.014 0.000 0.948 7 K CB -0.054 32.453 32.500 0.013 0.000 0.728 7 K HN 0.134 nan 8.250 nan 0.000 0.448 8 R N 0.640 121.144 120.500 0.007 0.000 2.127 8 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 8 R C 1.982 178.281 176.300 -0.003 0.000 1.134 8 R CA 1.433 57.534 56.100 0.001 0.000 0.975 8 R CB -0.123 30.177 30.300 0.000 0.000 0.865 8 R HN 0.170 nan 8.270 nan 0.000 0.447 9 A N 0.652 123.472 122.820 0.001 0.000 1.897 9 A HA -0.142 4.177 4.320 -0.000 0.000 0.215 9 A C 2.005 179.583 177.584 -0.010 0.000 1.181 9 A CA 1.260 53.293 52.037 -0.007 0.000 0.620 9 A CB -0.488 18.514 19.000 0.003 0.000 0.821 9 A HN 0.517 nan 8.150 nan 0.000 0.443 10 E N -0.212 119.992 120.200 0.006 0.000 2.058 10 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 10 E C 2.227 178.832 176.600 0.010 0.000 0.997 10 E CA 1.629 58.038 56.400 0.016 0.000 0.801 10 E CB -0.145 29.572 29.700 0.028 0.000 0.746 10 E HN 0.758 nan 8.360 nan 0.000 0.450 11 Q N 0.093 119.896 119.800 0.005 0.000 2.061 11 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 11 Q C 2.039 178.035 176.000 -0.007 0.000 0.984 11 Q CA 1.693 57.497 55.803 0.002 0.000 0.846 11 Q CB -0.139 28.599 28.738 0.000 0.000 0.902 11 Q HN 0.253 nan 8.270 nan 0.000 0.421 12 N N 0.556 119.245 118.700 -0.018 0.000 2.120 12 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 12 N C 1.850 177.336 175.510 -0.040 0.000 1.024 12 N CA 1.063 54.093 53.050 -0.034 0.000 0.852 12 N CB -0.336 38.125 38.487 -0.044 0.000 1.003 12 N HN 0.217 nan 8.380 nan 0.000 0.424 13 L N 0.951 122.150 121.223 -0.042 0.000 2.017 13 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 13 L C 1.760 178.641 176.870 0.019 0.000 1.073 13 L CA 0.955 55.772 54.840 -0.039 0.000 0.745 13 L CB -0.508 41.498 42.059 -0.088 0.000 0.894 13 L HN 0.125 nan 8.230 nan 0.000 0.432 14 N N 0.184 118.893 118.700 0.015 0.000 2.272 14 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 14 N C 1.477 177.008 175.510 0.035 0.000 1.014 14 N CA 1.058 54.122 53.050 0.022 0.000 0.870 14 N CB -0.444 38.055 38.487 0.020 0.000 0.975 14 N HN 0.329 nan 8.380 nan 0.000 0.433 15 N N 0.556 119.264 118.700 0.013 0.000 2.463 15 N HA 0.071 4.811 4.740 -0.000 0.000 0.181 15 N C 0.122 175.622 175.510 -0.017 0.000 1.078 15 N CA -0.005 53.047 53.050 0.002 0.000 0.902 15 N CB 0.156 38.635 38.487 -0.014 0.000 0.970 15 N HN 0.269 nan 8.380 nan 0.000 0.451 16 L N 2.717 123.923 121.223 -0.028 0.000 2.490 16 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 16 L C -1.897 174.882 176.870 -0.151 0.000 1.201 16 L CA -1.077 53.668 54.840 -0.157 0.000 0.869 16 L CB 0.147 42.024 42.059 -0.303 0.000 1.123 16 L HN -0.066 nan 8.230 nan 0.000 0.484 17 P HA 0.355 nan 4.420 nan 0.000 0.288 17 P C -1.221 175.877 177.300 -0.337 0.000 1.267 17 P CA -0.239 62.772 63.100 -0.148 0.000 0.815 17 P CB 1.077 32.710 31.700 -0.111 0.000 0.989 18 F N 1.357 121.303 119.950 -0.006 0.000 2.578 18 F HA 0.404 4.931 4.527 -0.000 0.000 0.311 18 F C -0.287 175.517 175.800 0.007 0.000 1.094 18 F CA -0.981 57.022 58.000 0.005 0.000 0.923 18 F CB 2.052 41.088 39.000 0.060 0.000 1.230 18 F HN 0.093 nan 8.300 nan 0.000 0.450 19 L N 3.352 124.688 121.223 0.190 0.000 2.307 19 L HA 0.880 5.220 4.340 -0.000 0.000 0.284 19 L C -0.325 176.634 176.870 0.149 0.000 1.023 19 L CA -0.499 54.403 54.840 0.104 0.000 0.810 19 L CB 1.109 43.141 42.059 -0.046 0.000 1.231 19 L HN 0.675 nan 8.230 nan 0.000 0.423 20 A N 5.868 128.785 122.820 0.162 0.000 2.511 20 A HA 0.450 4.770 4.320 -0.000 0.000 0.242 20 A C -0.595 177.113 177.584 0.206 0.000 1.069 20 A CA 0.003 52.127 52.037 0.146 0.000 0.763 20 A CB -0.086 18.975 19.000 0.102 0.000 1.001 20 A HN 0.835 nan 8.150 nan 0.000 0.498 21 L N 2.704 124.008 121.223 0.135 0.000 2.439 21 L HA 0.263 4.603 4.340 -0.000 0.000 0.270 21 L C -0.284 176.622 176.870 0.059 0.000 0.972 21 L CA -0.480 54.451 54.840 0.152 0.000 0.836 21 L CB 1.781 43.916 42.059 0.126 0.000 1.255 21 L HN 0.870 nan 8.230 nan 0.000 0.404 22 Q N 2.055 121.870 119.800 0.026 0.000 2.373 22 Q HA 0.189 4.529 4.340 -0.000 0.000 0.255 22 Q C 0.863 176.868 176.000 0.008 0.000 0.980 22 Q CA 0.271 56.075 55.803 0.002 0.000 0.882 22 Q CB 1.646 30.373 28.738 -0.018 0.000 1.249 22 Q HN 0.841 nan 8.270 nan 0.000 0.438 23 A N 2.416 125.239 122.820 0.006 0.000 1.933 23 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 23 A C 1.833 179.427 177.584 0.017 0.000 1.175 23 A CA 1.846 53.893 52.037 0.017 0.000 0.628 23 A CB -0.468 18.544 19.000 0.020 0.000 0.814 23 A HN 0.918 nan 8.150 nan 0.000 0.444 24 E N -0.157 120.049 120.200 0.010 0.000 2.268 24 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 24 E C 1.567 178.169 176.600 0.002 0.000 0.995 24 E CA 1.225 57.630 56.400 0.008 0.000 0.836 24 E CB -0.351 29.350 29.700 0.002 0.000 0.763 24 E HN 0.766 nan 8.360 nan 0.000 0.491 25 Q N 0.289 120.088 119.800 -0.002 0.000 2.451 25 Q HA 0.168 4.507 4.340 -0.000 0.000 0.206 25 Q C -0.047 175.949 176.000 -0.007 0.000 0.947 25 Q CA 0.284 56.087 55.803 -0.001 0.000 0.937 25 Q CB 0.236 28.975 28.738 0.002 0.000 1.025 25 Q HN 0.364 nan 8.270 nan 0.000 0.511 26 I N 0.483 121.034 120.570 -0.030 0.000 2.474 26 I HA 0.249 4.418 4.170 -0.000 0.000 0.294 26 I C -0.515 175.538 176.117 -0.106 0.000 1.005 26 I CA -0.541 60.695 61.300 -0.106 0.000 1.113 26 I CB 2.026 39.918 38.000 -0.180 0.000 1.289 26 I HN -0.139 nan 8.210 nan 0.000 0.436 27 E N 5.027 125.141 120.200 -0.143 0.000 2.234 27 E HA 0.457 4.807 4.350 -0.000 0.000 0.266 27 E C -1.532 174.976 176.600 -0.153 0.000 0.877 27 E CA -0.680 55.683 56.400 -0.063 0.000 0.758 27 E CB 2.236 31.951 29.700 0.025 0.000 1.170 27 E HN 0.306 nan 8.360 nan 0.000 0.415 28 F N 2.955 122.960 119.950 0.092 0.000 2.390 28 F HA 0.245 4.772 4.527 -0.000 0.000 0.361 28 F C 0.430 176.313 175.800 0.138 0.000 1.124 28 F CA -0.666 57.401 58.000 0.111 0.000 1.149 28 F CB 0.420 39.483 39.000 0.106 0.000 1.160 28 F HN 0.169 nan 8.300 nan 0.000 0.501 29 L N 2.510 123.921 121.223 0.314 0.000 2.464 29 L HA 0.272 4.612 4.340 -0.000 0.000 0.264 29 L C 1.492 178.562 176.870 0.333 0.000 1.199 29 L CA -0.024 54.982 54.840 0.277 0.000 0.818 29 L CB 0.461 42.666 42.059 0.243 0.000 1.102 29 L HN 0.843 nan 8.230 nan 0.000 0.473 30 G N 0.108 109.060 108.800 0.253 0.000 2.595 30 G HA2 0.101 4.061 3.960 -0.000 0.000 0.213 30 G HA3 0.101 4.061 3.960 -0.000 0.000 0.213 30 G C 0.383 175.495 174.900 0.354 0.000 1.141 30 G CA 0.718 45.980 45.100 0.270 0.000 0.806 30 G HN 0.658 nan 8.290 nan 0.000 0.530 31 S N -1.599 114.271 115.700 0.282 0.000 2.611 31 S HA 0.409 4.879 4.470 -0.000 0.000 0.268 31 S C 0.916 175.527 174.600 0.019 0.000 1.156 31 S CA 0.503 58.864 58.200 0.269 0.000 0.817 31 S CB 1.142 64.417 63.200 0.126 0.000 1.122 31 S HN 0.388 nan 8.310 nan 0.000 0.466 32 S N 0.583 116.349 115.700 0.110 0.000 2.423 32 S HA 0.047 4.516 4.470 -0.000 0.000 0.231 32 S C 1.954 176.606 174.600 0.086 0.000 1.014 32 S CA 0.773 59.017 58.200 0.073 0.000 0.965 32 S CB -1.007 62.393 63.200 0.333 0.000 0.785 32 S HN 1.283 nan 8.310 nan 0.000 0.495 33 A N 2.119 124.991 122.820 0.086 0.000 1.873 33 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 33 A C 2.180 179.754 177.584 -0.017 0.000 1.186 33 A CA 1.365 53.418 52.037 0.027 0.000 0.616 33 A CB -0.694 18.293 19.000 -0.021 0.000 0.823 33 A HN 0.590 nan 8.150 nan 0.000 0.442 34 E N -1.299 118.890 120.200 -0.017 0.000 2.085 34 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 34 E C 1.770 178.352 176.600 -0.029 0.000 0.994 34 E CA 1.382 57.771 56.400 -0.017 0.000 0.801 34 E CB -0.304 29.406 29.700 0.016 0.000 0.743 34 E HN 0.664 nan 8.360 nan 0.000 0.453 35 F N 2.250 122.006 119.950 -0.323 0.000 2.069 35 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 35 F C 2.267 177.985 175.800 -0.137 0.000 1.113 35 F CA 1.788 59.578 58.000 -0.350 0.000 1.214 35 F CB -0.280 38.226 39.000 -0.823 0.000 0.978 35 F HN -0.216 nan 8.300 nan 0.000 0.474 36 K N -0.517 119.737 120.400 -0.243 0.000 2.044 36 K HA -0.199 4.120 4.320 -0.000 0.000 0.210 36 K C 1.939 178.417 176.600 -0.203 0.000 1.049 36 K CA 2.254 58.382 56.287 -0.266 0.000 0.927 36 K CB -0.479 31.950 32.500 -0.119 0.000 0.713 36 K HN 0.336 nan 8.250 nan 0.000 0.443 37 T N 1.256 115.733 114.554 -0.128 0.000 2.746 37 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 37 T C 1.837 176.466 174.700 -0.118 0.000 1.039 37 T CA 1.066 63.106 62.100 -0.101 0.000 1.142 37 T CB -0.163 68.667 68.868 -0.063 0.000 0.866 37 T HN 0.257 nan 8.240 nan 0.000 0.444 38 Q N 0.645 120.377 119.800 -0.112 0.000 2.050 38 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 38 Q C 2.473 178.346 176.000 -0.212 0.000 0.980 38 Q CA 1.227 56.963 55.803 -0.112 0.000 0.840 38 Q CB -0.750 27.980 28.738 -0.014 0.000 0.898 38 Q HN 0.552 nan 8.270 nan 0.000 0.424 39 I N 0.480 120.894 120.570 -0.260 0.000 2.087 39 I HA -0.347 3.823 4.170 -0.000 0.000 0.240 39 I C 2.322 178.262 176.117 -0.294 0.000 1.054 39 I CA 1.337 62.463 61.300 -0.290 0.000 1.311 39 I CB -0.450 37.361 38.000 -0.316 0.000 1.024 39 I HN 0.151 nan 8.210 nan 0.000 0.402 40 I N 0.222 120.669 120.570 -0.205 0.000 2.163 40 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 40 I C 2.639 178.664 176.117 -0.153 0.000 1.085 40 I CA 1.714 62.929 61.300 -0.140 0.000 1.347 40 I CB -0.478 37.465 38.000 -0.094 0.000 1.044 40 I HN 0.327 nan 8.210 nan 0.000 0.408 41 E N 1.100 121.203 120.200 -0.163 0.000 2.110 41 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 41 E C 2.371 178.851 176.600 -0.200 0.000 0.988 41 E CA 1.005 57.320 56.400 -0.141 0.000 0.804 41 E CB 0.040 29.672 29.700 -0.113 0.000 0.745 41 E HN 0.446 nan 8.360 nan 0.000 0.458 42 L N 0.399 121.404 121.223 -0.364 0.000 2.093 42 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 42 L C 2.422 178.996 176.870 -0.493 0.000 1.085 42 L CA 0.707 55.204 54.840 -0.571 0.000 0.755 42 L CB -0.240 41.108 42.059 -1.185 0.000 0.904 42 L HN 0.237 nan 8.230 nan 0.000 0.435 43 I N -0.421 119.903 120.570 -0.411 0.000 2.179 43 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 43 I C 2.663 178.764 176.117 -0.027 0.000 1.088 43 I CA 1.270 62.527 61.300 -0.073 0.000 1.357 43 I CB -0.250 37.756 38.000 0.010 0.000 1.051 43 I HN 0.167 nan 8.210 nan 0.000 0.409 44 R N 0.625 121.090 120.500 -0.058 0.000 2.152 44 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 44 R C 1.591 177.881 176.300 -0.017 0.000 1.117 44 R CA 1.104 57.189 56.100 -0.026 0.000 0.981 44 R CB -0.286 29.996 30.300 -0.031 0.000 0.870 44 R HN 0.452 nan 8.270 nan 0.000 0.451 45 N N 0.228 118.911 118.700 -0.030 0.000 2.299 45 N HA 0.072 4.811 4.740 -0.000 0.000 0.187 45 N C -0.120 175.405 175.510 0.025 0.000 1.099 45 N CA 0.134 53.179 53.050 -0.007 0.000 0.867 45 N CB 0.587 39.062 38.487 -0.019 0.000 0.974 45 N HN 0.083 nan 8.380 nan 0.000 0.477 46 A N 1.118 123.968 122.820 0.050 0.000 2.520 46 A HA 0.125 4.445 4.320 -0.000 0.000 0.245 46 A C 0.951 178.577 177.584 0.071 0.000 1.072 46 A CA 0.405 52.503 52.037 0.101 0.000 0.761 46 A CB 0.440 19.545 19.000 0.175 0.000 1.004 46 A HN 0.083 nan 8.150 nan 0.000 0.499 47 K N 0.770 121.214 120.400 0.073 0.000 2.436 47 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 47 K C 1.380 178.018 176.600 0.064 0.000 1.174 47 K CA 0.737 57.058 56.287 0.057 0.000 0.951 47 K CB 0.456 32.985 32.500 0.049 0.000 1.040 47 K HN 0.694 nan 8.250 nan 0.000 0.536 48 K N -0.172 120.275 120.400 0.078 0.000 2.325 48 K HA 0.211 4.531 4.320 -0.000 0.000 0.203 48 K C 0.061 176.718 176.600 0.096 0.000 1.128 48 K CA 0.155 56.490 56.287 0.081 0.000 0.931 48 K CB 0.790 33.335 32.500 0.074 0.000 1.125 48 K HN -0.042 nan 8.250 nan 0.000 0.487 49 R N 0.225 120.796 120.500 0.119 0.000 2.692 49 R HA 0.493 4.832 4.340 -0.000 0.000 0.269 49 R C -1.601 174.788 176.300 0.148 0.000 1.030 49 R CA -0.704 55.489 56.100 0.156 0.000 0.882 49 R CB 1.025 31.483 30.300 0.264 0.000 1.250 49 R HN -0.074 nan 8.270 nan 0.000 0.465 50 I N 2.236 122.857 120.570 0.085 0.000 2.531 50 I HA 0.337 4.507 4.170 -0.000 0.000 0.283 50 I C -1.481 174.565 176.117 -0.119 0.000 1.083 50 I CA -0.605 60.670 61.300 -0.041 0.000 1.071 50 I CB 1.775 39.749 38.000 -0.042 0.000 1.210 50 I HN 0.564 nan 8.210 nan 0.000 0.450 51 Y N 5.102 125.266 120.300 -0.226 0.000 2.377 51 Y HA 0.711 5.260 4.550 -0.000 0.000 0.339 51 Y C -0.206 175.600 175.900 -0.156 0.000 1.011 51 Y CA -1.012 57.002 58.100 -0.144 0.000 1.093 51 Y CB 2.315 40.737 38.460 -0.063 0.000 1.201 51 Y HN 0.134 nan 8.280 nan 0.000 0.455 52 V N 2.375 122.306 119.914 0.027 0.000 2.623 52 V HA 0.416 4.536 4.120 -0.000 0.000 0.304 52 V C -0.749 175.463 176.094 0.197 0.000 1.054 52 V CA -0.875 61.464 62.300 0.064 0.000 0.882 52 V CB 2.284 34.011 31.823 -0.159 0.000 1.002 52 V HN 0.832 nan 8.190 nan 0.000 0.424 53 T N 1.748 116.493 114.554 0.319 0.000 2.786 53 T HA 0.929 5.279 4.350 -0.000 0.000 0.283 53 T C -0.415 174.486 174.700 0.335 0.000 0.992 53 T CA -0.354 61.922 62.100 0.293 0.000 0.954 53 T CB 1.863 70.897 68.868 0.277 0.000 0.934 53 T HN 1.201 nan 8.240 nan 0.000 0.440 54 A N 2.851 125.859 122.820 0.313 0.000 2.594 54 A HA 0.742 5.061 4.320 -0.000 0.000 0.291 54 A C 0.660 178.399 177.584 0.259 0.000 1.105 54 A CA -0.863 51.338 52.037 0.274 0.000 0.694 54 A CB 1.254 20.430 19.000 0.293 0.000 1.291 54 A HN 0.844 nan 8.150 nan 0.000 0.410 55 L N 0.215 121.562 121.223 0.207 0.000 2.017 55 L HA 0.125 4.464 4.340 -0.000 0.000 0.208 55 L C 0.411 177.541 176.870 0.432 0.000 1.073 55 L CA 2.491 57.503 54.840 0.286 0.000 0.745 55 L CB -0.678 41.576 42.059 0.325 0.000 0.894 55 L HN 0.879 nan 8.230 nan 0.000 0.432 56 Y N -4.814 115.665 120.300 0.298 0.000 2.670 56 Y HA 0.482 5.032 4.550 -0.000 0.000 0.334 56 Y C -1.490 174.699 175.900 0.481 0.000 1.185 56 Y CA -1.991 56.333 58.100 0.373 0.000 1.053 56 Y CB 0.319 38.962 38.460 0.305 0.000 1.298 56 Y HN -0.015 nan 8.280 nan 0.000 0.459 57 W N 3.664 125.294 121.300 0.551 0.000 2.631 57 W HA 0.489 5.149 4.660 -0.000 0.000 0.321 57 W C -1.555 175.309 176.519 0.574 0.000 1.004 57 W CA -1.171 56.478 57.345 0.507 0.000 1.291 57 W CB 2.061 31.844 29.460 0.538 0.000 1.300 57 W HN 0.860 nan 8.180 nan 0.000 0.422 58 Q N 3.797 124.051 119.800 0.756 0.000 2.293 58 Q HA 0.150 4.489 4.340 -0.000 0.000 0.251 58 Q C 1.516 177.539 176.000 0.038 0.000 0.930 58 Q CA 0.256 56.301 55.803 0.404 0.000 0.893 58 Q CB 1.290 30.230 28.738 0.336 0.000 1.215 58 Q HN 0.510 nan 8.270 nan 0.000 0.425 59 K N 1.204 121.350 120.400 -0.423 0.000 2.616 59 K HA -0.043 4.277 4.320 -0.000 0.000 0.192 59 K C -0.330 175.754 176.600 -0.860 0.000 1.031 59 K CA 0.569 56.017 56.287 -1.398 0.000 1.004 59 K CB -0.234 31.594 32.500 -1.120 0.000 0.810 59 K HN 0.619 nan 8.250 nan 0.000 0.497 60 D N 1.002 121.196 120.400 -0.344 0.000 2.425 60 D HA -0.018 4.622 4.640 -0.000 0.000 0.274 60 D C 0.673 176.937 176.300 -0.059 0.000 1.242 60 D CA -0.370 53.544 54.000 -0.143 0.000 1.060 60 D CB 0.361 41.161 40.800 0.000 0.000 1.112 60 D HN -0.015 nan 8.370 nan 0.000 0.561 61 E N -0.814 119.425 120.200 0.065 0.000 2.106 61 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 61 E C 1.964 178.612 176.600 0.080 0.000 0.984 61 E CA 1.616 58.078 56.400 0.104 0.000 0.806 61 E CB -0.447 29.369 29.700 0.195 0.000 0.750 61 E HN 0.504 nan 8.360 nan 0.000 0.458 62 A N 0.787 123.635 122.820 0.046 0.000 1.873 62 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 62 A C 2.473 180.129 177.584 0.121 0.000 1.186 62 A CA 1.688 53.747 52.037 0.036 0.000 0.616 62 A CB -1.353 17.654 19.000 0.011 0.000 0.823 62 A HN 0.356 nan 8.150 nan 0.000 0.442 63 G N -0.770 108.132 108.800 0.169 0.000 2.469 63 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 63 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 63 G C 1.639 177.009 174.900 0.783 0.000 1.150 63 G CA 1.523 46.900 45.100 0.461 0.000 0.763 63 G HN 0.578 nan 8.290 nan 0.000 0.561 64 Q N 0.304 120.408 119.800 0.507 0.000 2.083 64 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 64 Q C 2.335 178.606 176.000 0.451 0.000 0.969 64 Q CA 1.889 58.062 55.803 0.615 0.000 0.838 64 Q CB -0.384 28.595 28.738 0.403 0.000 0.900 64 Q HN 0.645 nan 8.270 nan 0.000 0.436 65 E N -0.660 119.718 120.200 0.297 0.000 2.077 65 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 65 E C 1.587 178.329 176.600 0.237 0.000 0.989 65 E CA 1.267 57.793 56.400 0.210 0.000 0.800 65 E CB -0.012 29.753 29.700 0.108 0.000 0.746 65 E HN 0.382 nan 8.360 nan 0.000 0.452 66 I N 0.917 121.654 120.570 0.279 0.000 2.202 66 I HA -0.210 3.959 4.170 -0.000 0.000 0.242 66 I C 2.479 178.892 176.117 0.493 0.000 1.091 66 I CA 0.720 62.192 61.300 0.286 0.000 1.368 66 I CB -1.233 36.821 38.000 0.091 0.000 1.058 66 I HN 0.267 nan 8.210 nan 0.000 0.410 67 L N 1.183 122.840 121.223 0.724 0.000 2.083 67 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 67 L C 2.023 179.115 176.870 0.371 0.000 1.083 67 L CA 1.841 57.016 54.840 0.558 0.000 0.752 67 L CB -0.880 41.473 42.059 0.489 0.000 0.899 67 L HN 0.164 nan 8.230 nan 0.000 0.433 68 D N -0.359 120.251 120.400 0.350 0.000 2.123 68 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 68 D C 2.049 178.458 176.300 0.181 0.000 0.992 68 D CA 1.172 55.333 54.000 0.268 0.000 0.833 68 D CB 0.015 40.988 40.800 0.288 0.000 0.954 68 D HN 0.407 nan 8.370 nan 0.000 0.455 69 E N 0.448 120.749 120.200 0.169 0.000 2.077 69 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 69 E C 2.371 179.013 176.600 0.070 0.000 0.989 69 E CA 0.342 56.806 56.400 0.106 0.000 0.800 69 E CB -0.131 29.620 29.700 0.085 0.000 0.746 69 E HN 0.343 nan 8.360 nan 0.000 0.452 70 I N 0.231 120.846 120.570 0.076 0.000 2.142 70 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 70 I C 2.340 178.360 176.117 -0.162 0.000 1.078 70 I CA 1.366 62.638 61.300 -0.048 0.000 1.343 70 I CB -1.200 36.725 38.000 -0.125 0.000 1.046 70 I HN 0.109 nan 8.210 nan 0.000 0.405 71 Y N 0.857 121.015 120.300 -0.237 0.000 2.224 71 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 71 Y C 2.875 178.651 175.900 -0.208 0.000 1.146 71 Y CA 1.612 59.481 58.100 -0.384 0.000 1.182 71 Y CB -0.425 37.429 38.460 -1.009 0.000 0.983 71 Y HN 0.109 nan 8.280 nan 0.000 0.524 72 R N 0.451 120.970 120.500 0.033 0.000 2.073 72 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 72 R C 2.119 178.429 176.300 0.016 0.000 1.134 72 R CA 2.118 58.250 56.100 0.053 0.000 0.952 72 R CB -0.541 29.804 30.300 0.074 0.000 0.850 72 R HN 0.339 nan 8.270 nan 0.000 0.433 73 V N -0.602 119.308 119.914 -0.006 0.000 2.453 73 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 73 V C 2.231 178.301 176.094 -0.040 0.000 1.048 73 V CA 1.935 64.227 62.300 -0.014 0.000 1.049 73 V CB -0.657 31.163 31.823 -0.004 0.000 0.672 73 V HN 0.178 nan 8.190 nan 0.000 0.457 74 K N 1.740 122.091 120.400 -0.081 0.000 2.148 74 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 74 K C 2.337 178.892 176.600 -0.075 0.000 1.050 74 K CA 2.015 58.233 56.287 -0.114 0.000 0.942 74 K CB -0.517 31.848 32.500 -0.226 0.000 0.724 74 K HN 0.831 nan 8.250 nan 0.000 0.446 75 Q N -0.296 119.484 119.800 -0.032 0.000 2.245 75 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 75 Q C 1.696 177.687 176.000 -0.014 0.000 0.955 75 Q CA 1.600 57.403 55.803 -0.000 0.000 0.870 75 Q CB -0.151 28.622 28.738 0.057 0.000 0.945 75 Q HN 0.502 nan 8.270 nan 0.000 0.461 76 E N 0.882 121.073 120.200 -0.016 0.000 2.442 76 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 76 E C -0.257 176.318 176.600 -0.042 0.000 1.030 76 E CA 0.122 56.510 56.400 -0.020 0.000 0.869 76 E CB 0.466 30.163 29.700 -0.005 0.000 0.857 76 E HN 0.302 nan 8.360 nan 0.000 0.505 77 N N 1.436 120.101 118.700 -0.058 0.000 2.762 77 N HA 0.124 4.864 4.740 -0.000 0.000 0.252 77 N C -2.361 173.070 175.510 -0.131 0.000 1.269 77 N CA -1.157 51.845 53.050 -0.079 0.000 0.799 77 N CB 1.702 40.169 38.487 -0.034 0.000 1.173 77 N HN 0.082 nan 8.380 nan 0.000 0.516 78 P HA -0.115 nan 4.420 nan 0.000 0.221 78 P C 0.605 177.768 177.300 -0.229 0.000 1.145 78 P CA 1.327 64.270 63.100 -0.261 0.000 0.795 78 P CB 0.214 31.706 31.700 -0.347 0.000 0.775 79 H N -1.500 117.560 119.070 -0.017 0.000 2.539 79 H HA 0.168 4.724 4.556 -0.000 0.000 0.269 79 H C 0.803 176.121 175.328 -0.016 0.000 0.980 79 H CA -0.859 55.179 56.048 -0.016 0.000 1.152 79 H CB -0.567 29.192 29.762 -0.006 0.000 1.407 79 H HN 0.116 nan 8.280 nan 0.000 0.564 80 L N 3.031 124.278 121.223 0.041 0.000 2.584 80 L HA -0.042 4.298 4.340 -0.000 0.000 0.272 80 L C 0.283 177.150 176.870 -0.004 0.000 1.195 80 L CA 0.092 54.943 54.840 0.018 0.000 0.920 80 L CB 0.308 42.355 42.059 -0.021 0.000 1.173 80 L HN 0.006 nan 8.230 nan 0.000 0.489 81 D N 4.594 125.005 120.400 0.017 0.000 2.374 81 D HA 0.209 4.848 4.640 -0.000 0.000 0.240 81 D C -0.935 175.292 176.300 -0.122 0.000 1.229 81 D CA -0.087 53.904 54.000 -0.015 0.000 0.895 81 D CB 0.405 41.253 40.800 0.080 0.000 1.046 81 D HN 0.235 nan 8.370 nan 0.000 0.498 82 V N 5.400 125.190 119.914 -0.207 0.000 2.384 82 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 82 V C 0.216 176.071 176.094 -0.398 0.000 1.020 82 V CA -0.693 61.418 62.300 -0.315 0.000 0.850 82 V CB 1.478 33.117 31.823 -0.306 0.000 0.987 82 V HN 0.351 nan 8.190 nan 0.000 0.436 83 K N 4.047 124.099 120.400 -0.579 0.000 2.507 83 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 83 K C -1.625 174.769 176.600 -0.343 0.000 0.943 83 K CA -0.674 55.351 56.287 -0.437 0.000 0.794 83 K CB 2.841 34.913 32.500 -0.714 0.000 1.188 83 K HN 0.398 nan 8.250 nan 0.000 0.428 84 V N 4.429 124.197 119.914 -0.244 0.000 2.378 84 V HA 0.330 4.450 4.120 -0.000 0.000 0.288 84 V C -0.796 175.320 176.094 0.036 0.000 1.016 84 V CA -0.927 61.235 62.300 -0.230 0.000 0.840 84 V CB 1.251 32.649 31.823 -0.708 0.000 0.994 84 V HN 0.534 nan 8.190 nan 0.000 0.431 85 L N 7.097 128.402 121.223 0.136 0.000 2.287 85 L HA 0.629 4.969 4.340 -0.000 0.000 0.287 85 L C -0.065 176.970 176.870 0.275 0.000 1.022 85 L CA 0.008 54.982 54.840 0.223 0.000 0.814 85 L CB 1.440 43.606 42.059 0.179 0.000 1.217 85 L HN 0.556 nan 8.230 nan 0.000 0.420 86 I N -1.379 119.383 120.570 0.321 0.000 3.108 86 I HA 0.531 4.701 4.170 -0.000 0.000 0.312 86 I C -0.442 175.887 176.117 0.354 0.000 1.095 86 I CA -0.889 60.628 61.300 0.361 0.000 1.000 86 I CB 1.820 40.089 38.000 0.448 0.000 1.229 86 I HN 0.455 nan 8.210 nan 0.000 0.454 87 D N 2.609 123.217 120.400 0.347 0.000 2.458 87 D HA -0.038 4.601 4.640 -0.000 0.000 0.243 87 D C 0.949 177.461 176.300 0.353 0.000 1.146 87 D CA 0.058 54.258 54.000 0.335 0.000 0.877 87 D CB 0.897 41.876 40.800 0.299 0.000 1.176 87 D HN 0.600 nan 8.370 nan 0.000 0.461 88 W N 5.443 126.814 121.300 0.118 0.000 2.354 88 W HA -0.230 4.429 4.660 -0.000 0.000 0.315 88 W C 1.097 177.614 176.519 -0.004 0.000 1.206 88 W CA 1.261 58.620 57.345 0.024 0.000 1.290 88 W CB -0.295 29.102 29.460 -0.105 0.000 1.152 88 W HN 0.667 nan 8.180 nan 0.000 0.489 89 H N 0.221 119.414 119.070 0.206 0.000 2.357 89 H HA -0.122 4.434 4.556 -0.000 0.000 0.301 89 H C 2.136 177.465 175.328 0.002 0.000 1.082 89 H CA 2.005 58.078 56.048 0.041 0.000 1.342 89 H CB -0.552 29.317 29.762 0.178 0.000 1.389 89 H HN 0.062 nan 8.280 nan 0.000 0.511 90 R N 1.698 122.325 120.500 0.212 0.000 2.096 90 R HA -0.025 4.314 4.340 -0.000 0.000 0.235 90 R C 2.244 178.593 176.300 0.082 0.000 1.127 90 R CA 1.351 57.535 56.100 0.140 0.000 0.968 90 R CB -0.702 29.716 30.300 0.197 0.000 0.861 90 R HN 0.257 nan 8.270 nan 0.000 0.440 91 A N -0.311 122.568 122.820 0.098 0.000 2.168 91 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 91 A C 1.203 178.737 177.584 -0.083 0.000 1.152 91 A CA 1.052 53.134 52.037 0.075 0.000 0.716 91 A CB -0.114 19.009 19.000 0.206 0.000 0.794 91 A HN 0.514 nan 8.150 nan 0.000 0.465 92 Q N -0.699 119.013 119.800 -0.146 0.000 2.135 92 Q HA 0.179 4.519 4.340 -0.000 0.000 0.231 92 Q C -0.206 175.723 176.000 -0.118 0.000 0.817 92 Q CA -0.253 55.432 55.803 -0.197 0.000 1.073 92 Q CB 0.533 29.047 28.738 -0.372 0.000 1.176 92 Q HN 0.781 nan 8.270 nan 0.000 0.478 93 R N -1.299 119.156 120.500 -0.075 0.000 2.836 93 R HA 0.481 4.821 4.340 -0.000 0.000 0.269 93 R C -0.787 175.478 176.300 -0.059 0.000 1.010 93 R CA -0.867 55.202 56.100 -0.052 0.000 0.930 93 R CB 0.951 31.239 30.300 -0.020 0.000 1.218 93 R HN -0.180 nan 8.270 nan 0.000 0.473 94 N N 0.542 119.211 118.700 -0.053 0.000 2.364 94 N HA 0.299 5.039 4.740 -0.000 0.000 0.264 94 N C -0.039 175.438 175.510 -0.055 0.000 1.263 94 N CA -0.446 52.569 53.050 -0.059 0.000 0.959 94 N CB 0.421 38.878 38.487 -0.051 0.000 1.204 94 N HN 0.382 nan 8.380 nan 0.000 0.550 95 L N 0.409 121.595 121.223 -0.061 0.000 2.468 95 L HA 0.486 4.826 4.340 -0.000 0.000 0.254 95 L C 1.061 177.913 176.870 -0.030 0.000 1.171 95 L CA -0.207 54.599 54.840 -0.058 0.000 0.809 95 L CB -0.047 41.968 42.059 -0.074 0.000 1.155 95 L HN 0.539 nan 8.230 nan 0.000 0.473 102 A N 3.007 125.798 122.820 -0.047 0.000 2.462 102 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 102 A C 0.886 178.427 177.584 -0.071 0.000 1.076 102 A CA 0.736 52.744 52.037 -0.048 0.000 0.773 102 A CB -0.449 18.537 19.000 -0.023 0.000 1.010 102 A HN 1.334 nan 8.150 nan 0.000 0.493 103 T N 0.635 115.138 114.554 -0.085 0.000 2.849 103 T HA 0.175 4.524 4.350 -0.000 0.000 0.284 103 T C 1.050 175.654 174.700 -0.160 0.000 1.004 103 T CA -0.352 61.679 62.100 -0.115 0.000 1.021 103 T CB 0.442 69.236 68.868 -0.124 0.000 1.013 103 T HN 0.559 nan 8.240 nan 0.000 0.527 104 N N 1.102 119.679 118.700 -0.204 0.000 2.060 104 N HA -0.162 4.578 4.740 -0.000 0.000 0.195 104 N C 2.259 177.220 175.510 -0.915 0.000 1.028 104 N CA 1.799 54.606 53.050 -0.405 0.000 0.861 104 N CB -1.202 37.154 38.487 -0.220 0.000 1.029 104 N HN 0.851 nan 8.380 nan 0.000 0.428 105 A N 1.497 123.986 122.820 -0.552 0.000 1.883 105 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 105 A C 1.833 179.260 177.584 -0.261 0.000 1.186 105 A CA 1.882 53.711 52.037 -0.346 0.000 0.624 105 A CB -0.571 18.339 19.000 -0.150 0.000 0.822 105 A HN 0.198 nan 8.150 nan 0.000 0.444 106 D N -1.538 118.749 120.400 -0.187 0.000 2.123 106 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 106 D C 1.599 177.853 176.300 -0.078 0.000 0.992 106 D CA 1.517 55.456 54.000 -0.101 0.000 0.833 106 D CB -0.476 40.287 40.800 -0.062 0.000 0.954 106 D HN 0.790 nan 8.370 nan 0.000 0.455 107 W N 1.184 122.296 121.300 -0.313 0.000 2.358 107 W HA -0.242 4.418 4.660 -0.000 0.000 0.303 107 W C 1.895 178.279 176.519 -0.225 0.000 1.208 107 W CA 1.210 58.395 57.345 -0.267 0.000 1.274 107 W CB -0.564 28.735 29.460 -0.270 0.000 1.138 107 W HN -0.070 nan 8.180 nan 0.000 0.515 108 Y N 0.004 120.015 120.300 -0.482 0.000 2.165 108 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 108 Y C 2.796 178.437 175.900 -0.433 0.000 1.155 108 Y CA 1.328 58.968 58.100 -0.768 0.000 1.164 108 Y CB -1.731 36.209 38.460 -0.867 0.000 0.978 108 Y HN -0.043 nan 8.280 nan 0.000 0.513 109 C N -0.088 119.138 119.300 -0.123 0.000 2.432 109 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 109 C C 2.719 177.651 174.990 -0.098 0.000 1.249 109 C CA 1.212 60.183 59.018 -0.080 0.000 1.725 109 C CB -1.021 26.685 27.740 -0.056 0.000 2.028 109 C HN 0.631 nan 8.230 nan 0.000 0.477 110 E N 0.531 120.658 120.200 -0.121 0.000 2.049 110 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 110 E C 2.151 178.660 176.600 -0.151 0.000 1.007 110 E CA 1.561 57.898 56.400 -0.104 0.000 0.809 110 E CB -0.193 29.479 29.700 -0.047 0.000 0.749 110 E HN 0.533 nan 8.360 nan 0.000 0.450 111 Q N 0.430 120.063 119.800 -0.278 0.000 2.061 111 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 111 Q C 2.271 178.184 176.000 -0.144 0.000 0.984 111 Q CA 1.811 57.456 55.803 -0.264 0.000 0.846 111 Q CB -0.660 27.797 28.738 -0.469 0.000 0.902 111 Q HN 0.351 nan 8.270 nan 0.000 0.421 112 R N 0.270 120.740 120.500 -0.051 0.000 2.091 112 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 112 R C 2.087 178.405 176.300 0.030 0.000 1.136 112 R CA 1.338 57.485 56.100 0.078 0.000 0.959 112 R CB 0.125 30.471 30.300 0.078 0.000 0.856 112 R HN 0.179 nan 8.270 nan 0.000 0.437 113 Q N -0.356 119.431 119.800 -0.021 0.000 2.119 113 Q HA -0.088 4.251 4.340 -0.000 0.000 0.201 113 Q C 2.059 178.031 176.000 -0.048 0.000 0.972 113 Q CA 1.947 57.733 55.803 -0.027 0.000 0.847 113 Q CB -0.422 28.295 28.738 -0.035 0.000 0.903 113 Q HN 0.355 nan 8.270 nan 0.000 0.433 114 T N 0.131 114.629 114.554 -0.093 0.000 2.812 114 T HA -0.086 4.264 4.350 -0.000 0.000 0.264 114 T C 1.528 176.093 174.700 -0.225 0.000 1.042 114 T CA 0.862 62.863 62.100 -0.165 0.000 1.140 114 T CB -0.250 68.490 68.868 -0.213 0.000 0.870 114 T HN 0.237 nan 8.240 nan 0.000 0.445 115 Y N 2.025 122.181 120.300 -0.239 0.000 2.314 115 Y HA -0.052 4.497 4.550 -0.000 0.000 0.293 115 Y C 1.466 177.319 175.900 -0.079 0.000 1.129 115 Y CA 0.698 58.664 58.100 -0.224 0.000 1.201 115 Y CB -0.474 37.683 38.460 -0.505 0.000 0.999 115 Y HN 0.367 nan 8.280 nan 0.000 0.541 116 Q N 0.621 120.479 119.800 0.096 0.000 2.417 116 Q HA -0.247 4.093 4.340 -0.000 0.000 0.368 116 Q C -0.929 175.134 176.000 0.105 0.000 1.359 116 Q CA 0.006 55.857 55.803 0.081 0.000 1.122 116 Q CB -2.142 26.613 28.738 0.029 0.000 1.295 116 Q HN 0.479 nan 8.270 nan 0.000 0.337 117 L N 1.822 123.136 121.223 0.153 0.000 2.514 117 L HA 0.020 4.360 4.340 -0.000 0.000 0.280 117 L C -0.869 176.035 176.870 0.057 0.000 1.223 117 L CA -1.147 53.762 54.840 0.114 0.000 0.864 117 L CB 0.047 42.170 42.059 0.106 0.000 1.118 117 L HN 0.307 nan 8.230 nan 0.000 0.494 118 P HA -0.131 nan 4.420 nan 0.000 0.216 118 P C 1.136 178.443 177.300 0.011 0.000 1.153 118 P CA 1.590 64.701 63.100 0.018 0.000 0.848 118 P CB -0.070 31.635 31.700 0.008 0.000 0.787 119 D N -0.246 120.155 120.400 0.002 0.000 2.095 119 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 119 D C 1.022 177.322 176.300 -0.001 0.000 0.990 119 D CA 1.815 55.813 54.000 -0.003 0.000 0.836 119 D CB -1.290 39.498 40.800 -0.020 0.000 0.979 119 D HN 0.267 nan 8.370 nan 0.000 0.447 120 D N -1.165 119.235 120.400 -0.000 0.000 2.846 120 D HA -0.101 4.539 4.640 -0.000 0.000 0.231 120 D C -2.220 174.069 176.300 -0.017 0.000 1.102 120 D CA 0.723 54.727 54.000 0.007 0.000 0.744 120 D CB -1.534 39.276 40.800 0.015 0.000 1.092 120 D HN 0.542 nan 8.370 nan 0.000 0.437 121 P HA 0.309 nan 4.420 nan 0.000 0.278 121 P C 0.230 177.478 177.300 -0.085 0.000 1.266 121 P CA -0.498 62.571 63.100 -0.052 0.000 0.807 121 P CB 0.640 32.307 31.700 -0.054 0.000 1.094 125 F N 1.398 121.396 119.950 0.081 0.000 2.520 125 F HA 0.728 5.255 4.527 -0.000 0.000 0.322 125 F C 0.579 176.514 175.800 0.225 0.000 1.103 125 F CA -1.281 56.814 58.000 0.157 0.000 0.926 125 F CB 2.261 41.319 39.000 0.097 0.000 1.154 125 F HN 0.521 nan 8.300 nan 0.000 0.453 126 G N 1.951 111.051 108.800 0.500 0.000 2.319 126 G HA2 0.537 4.497 3.960 -0.000 0.000 0.308 126 G HA3 0.537 4.497 3.960 -0.000 0.000 0.308 126 G C -1.328 173.834 174.900 0.437 0.000 1.117 126 G CA -0.529 44.906 45.100 0.558 0.000 0.903 126 G HN 0.468 nan 8.290 nan 0.000 0.436 127 V N 5.507 125.625 119.914 0.341 0.000 2.347 127 V HA 0.386 4.506 4.120 -0.000 0.000 0.280 127 V C -2.032 174.204 176.094 0.237 0.000 1.021 127 V CA -1.585 60.832 62.300 0.195 0.000 0.847 127 V CB 1.883 33.839 31.823 0.222 0.000 0.990 127 V HN 0.668 nan 8.190 nan 0.000 0.444 128 P HA 0.399 nan 4.420 nan 0.000 0.300 128 P C 0.308 177.784 177.300 0.293 0.000 1.356 128 P CA -0.348 62.822 63.100 0.116 0.000 0.823 128 P CB 1.572 33.127 31.700 -0.241 0.000 0.934 129 I N 1.316 122.091 120.570 0.342 0.000 3.419 129 I HA 0.137 4.306 4.170 -0.000 0.000 0.286 129 I C 0.772 177.051 176.117 0.270 0.000 1.268 129 I CA 0.956 62.439 61.300 0.306 0.000 1.414 129 I CB -0.909 37.248 38.000 0.262 0.000 1.074 129 I HN 0.437 nan 8.210 nan 0.000 0.457 130 N N -0.832 118.064 118.700 0.326 0.000 3.116 130 N HA 0.061 4.801 4.740 -0.000 0.000 0.244 130 N C 0.789 176.515 175.510 0.361 0.000 1.485 130 N CA 0.513 53.727 53.050 0.274 0.000 0.884 130 N CB 1.243 39.881 38.487 0.250 0.000 1.415 130 N HN -0.083 nan 8.380 nan 0.000 0.524 131 T N -1.620 113.078 114.554 0.240 0.000 3.055 131 T HA 0.249 4.599 4.350 -0.000 0.000 0.265 131 T C 0.615 175.475 174.700 0.267 0.000 1.111 131 T CA 0.986 63.233 62.100 0.245 0.000 1.118 131 T CB 0.359 69.296 68.868 0.116 0.000 0.909 131 T HN 0.329 nan 8.240 nan 0.000 0.501 132 R N 0.203 120.790 120.500 0.146 0.000 2.621 132 R HA 0.405 4.745 4.340 -0.000 0.000 0.284 132 R C 0.818 176.992 176.300 -0.211 0.000 0.998 132 R CA -0.515 55.542 56.100 -0.072 0.000 0.895 132 R CB 1.673 32.070 30.300 0.161 0.000 1.195 132 R HN 0.173 nan 8.270 nan 0.000 0.450 133 E N 1.723 121.548 120.200 -0.625 0.000 2.136 133 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 133 E C 1.367 177.958 176.600 -0.015 0.000 1.019 133 E CA 1.913 58.160 56.400 -0.255 0.000 0.819 133 E CB 0.214 29.832 29.700 -0.136 0.000 0.739 133 E HN 0.372 nan 8.360 nan 0.000 0.458 134 V N -0.335 119.560 119.914 -0.032 0.000 2.594 134 V HA -0.185 3.934 4.120 -0.000 0.000 0.253 134 V C 1.299 177.317 176.094 -0.127 0.000 1.069 134 V CA 1.620 63.862 62.300 -0.096 0.000 1.082 134 V CB -0.374 31.328 31.823 -0.202 0.000 0.680 134 V HN 0.327 nan 8.190 nan 0.000 0.469 135 F N 0.593 120.562 119.950 0.031 0.000 2.693 135 F HA 0.561 5.088 4.527 -0.000 0.000 0.303 135 F C 0.912 176.762 175.800 0.082 0.000 1.097 135 F CA 0.649 58.682 58.000 0.056 0.000 1.330 135 F CB 0.583 39.614 39.000 0.051 0.000 1.067 135 F HN 0.300 nan 8.300 nan 0.000 0.565 136 G N 0.258 109.200 108.800 0.238 0.000 2.282 136 G HA2 0.394 4.353 3.960 -0.000 0.000 0.274 136 G HA3 0.394 4.353 3.960 -0.000 0.000 0.274 136 G C -1.706 173.321 174.900 0.212 0.000 1.718 136 G CA -0.545 44.680 45.100 0.208 0.000 0.927 136 G HN 0.206 nan 8.290 nan 0.000 0.733 137 V N -0.032 119.972 119.914 0.150 0.000 3.126 137 V HA 0.903 5.023 4.120 -0.000 0.000 0.314 137 V C -0.003 176.130 176.094 0.065 0.000 1.138 137 V CA -1.454 60.915 62.300 0.115 0.000 1.034 137 V CB 1.865 33.687 31.823 -0.002 0.000 1.075 137 V HN 1.425 nan 8.190 nan 0.000 0.442 138 L N 2.527 123.819 121.223 0.114 0.000 2.407 138 L HA 0.457 4.796 4.340 -0.000 0.000 0.282 138 L C 0.438 177.372 176.870 0.105 0.000 1.110 138 L CA 0.773 55.715 54.840 0.170 0.000 0.863 138 L CB -0.598 41.605 42.059 0.241 0.000 1.207 138 L HN 0.785 nan 8.230 nan 0.000 0.454 139 H N 3.658 122.857 119.070 0.214 0.000 2.592 139 H HA 0.272 4.828 4.556 -0.000 0.000 0.279 139 H C -0.099 175.317 175.328 0.147 0.000 1.089 139 H CA -0.179 55.969 56.048 0.167 0.000 1.150 139 H CB 0.389 30.234 29.762 0.138 0.000 1.575 139 H HN 0.315 nan 8.280 nan 0.000 0.547 140 V N 2.985 123.087 119.914 0.314 0.000 2.599 140 V HA -0.020 4.100 4.120 -0.000 0.000 0.300 140 V C 0.590 176.794 176.094 0.183 0.000 1.034 140 V CA 0.430 62.906 62.300 0.293 0.000 1.115 140 V CB 0.651 32.709 31.823 0.391 0.000 0.934 140 V HN 0.128 nan 8.190 nan 0.000 0.485 141 K N 2.778 123.211 120.400 0.054 0.000 2.295 141 K HA 0.873 5.193 4.320 -0.000 0.000 0.239 141 K C 0.077 176.555 176.600 -0.203 0.000 0.991 141 K CA -0.215 55.936 56.287 -0.227 0.000 0.845 141 K CB 1.971 34.011 32.500 -0.765 0.000 1.197 141 K HN 1.062 nan 8.250 nan 0.000 0.441 142 G N 0.885 109.507 108.800 -0.296 0.000 2.634 142 G HA2 0.196 4.156 3.960 -0.000 0.000 0.568 142 G HA3 0.196 4.156 3.960 -0.000 0.000 0.568 142 G C -1.740 173.302 174.900 0.236 0.000 1.495 142 G CA -1.009 44.049 45.100 -0.071 0.000 0.903 142 G HN 0.131 nan 8.290 nan 0.000 0.646 143 F N 0.848 120.817 119.950 0.031 0.000 2.507 143 F HA 0.733 5.260 4.527 -0.000 0.000 0.325 143 F C 0.319 176.011 175.800 -0.180 0.000 1.116 143 F CA -1.873 56.060 58.000 -0.112 0.000 0.930 143 F CB 2.288 41.249 39.000 -0.064 0.000 1.146 143 F HN 0.364 nan 8.300 nan 0.000 0.447 144 V N 4.259 124.097 119.914 -0.126 0.000 2.409 144 V HA 0.457 4.576 4.120 -0.000 0.000 0.291 144 V C -0.964 174.947 176.094 -0.306 0.000 1.020 144 V CA -0.783 61.465 62.300 -0.086 0.000 0.848 144 V CB 1.533 33.360 31.823 0.007 0.000 0.990 144 V HN 0.464 nan 8.190 nan 0.000 0.430 145 F N 3.279 123.323 119.950 0.158 0.000 2.403 145 F HA 0.537 5.064 4.527 -0.000 0.000 0.355 145 F C 0.756 176.612 175.800 0.095 0.000 1.119 145 F CA -0.559 57.512 58.000 0.119 0.000 1.007 145 F CB 1.185 40.244 39.000 0.098 0.000 1.194 145 F HN 0.569 nan 8.300 nan 0.000 0.443 146 D N 0.637 121.165 120.400 0.213 0.000 4.072 146 D HA -0.305 4.335 4.640 -0.000 0.000 0.146 146 D C 0.488 176.859 176.300 0.117 0.000 0.777 146 D CA 1.895 55.981 54.000 0.144 0.000 1.099 146 D CB -0.451 40.428 40.800 0.132 0.000 0.497 146 D HN 0.515 nan 8.370 nan 0.000 0.483 147 D N 0.322 120.792 120.400 0.116 0.000 2.388 147 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 147 D C -0.381 175.994 176.300 0.127 0.000 1.133 147 D CA 0.369 54.430 54.000 0.102 0.000 0.831 147 D CB 0.287 41.134 40.800 0.078 0.000 0.962 147 D HN 0.080 nan 8.370 nan 0.000 0.502 148 T N 0.450 115.108 114.554 0.173 0.000 2.779 148 T HA 0.373 4.723 4.350 -0.000 0.000 0.280 148 T C 0.157 175.003 174.700 0.244 0.000 0.987 148 T CA -0.490 61.730 62.100 0.200 0.000 0.966 148 T CB 2.557 71.550 68.868 0.209 0.000 0.933 148 T HN -0.287 nan 8.240 nan 0.000 0.442 149 V N 4.536 124.562 119.914 0.186 0.000 2.407 149 V HA 0.401 4.521 4.120 -0.000 0.000 0.278 149 V C -0.313 175.915 176.094 0.223 0.000 1.037 149 V CA -0.752 61.660 62.300 0.186 0.000 0.900 149 V CB 1.262 33.151 31.823 0.110 0.000 0.983 149 V HN 0.628 nan 8.190 nan 0.000 0.459 150 L N 6.684 128.084 121.223 0.296 0.000 2.294 150 L HA 0.495 4.835 4.340 -0.000 0.000 0.283 150 L C -1.022 175.880 176.870 0.054 0.000 1.015 150 L CA -0.242 54.756 54.840 0.263 0.000 0.831 150 L CB 0.814 43.163 42.059 0.483 0.000 1.217 150 L HN 0.623 nan 8.230 nan 0.000 0.420 151 Y N 4.114 124.361 120.300 -0.089 0.000 2.341 151 Y HA 0.713 5.263 4.550 -0.000 0.000 0.337 151 Y C -0.155 175.590 175.900 -0.259 0.000 1.014 151 Y CA 0.118 58.099 58.100 -0.199 0.000 1.111 151 Y CB 1.584 39.948 38.460 -0.160 0.000 1.194 151 Y HN 0.686 nan 8.280 nan 0.000 0.462 152 S N 2.334 117.613 115.700 -0.702 0.000 2.565 152 S HA 0.367 4.837 4.470 -0.000 0.000 0.274 152 S C 0.342 174.564 174.600 -0.629 0.000 1.144 152 S CA -0.149 57.691 58.200 -0.599 0.000 0.849 152 S CB 0.748 63.533 63.200 -0.692 0.000 1.103 152 S HN 1.012 nan 8.310 nan 0.000 0.455 153 G N 1.167 109.677 108.800 -0.483 0.000 2.744 153 G HA2 0.400 4.360 3.960 -0.000 0.000 0.211 153 G HA3 0.400 4.360 3.960 -0.000 0.000 0.211 153 G C 0.587 175.300 174.900 -0.312 0.000 1.143 153 G CA 0.517 45.419 45.100 -0.330 0.000 0.788 153 G HN 1.098 nan 8.290 nan 0.000 0.534 154 A N 0.247 122.781 122.820 -0.476 0.000 2.388 154 A HA 0.667 4.986 4.320 -0.000 0.000 0.257 154 A C 0.639 177.815 177.584 -0.680 0.000 1.095 154 A CA -0.151 51.410 52.037 -0.794 0.000 0.791 154 A CB 0.646 19.410 19.000 -0.394 0.000 1.029 154 A HN 0.225 nan 8.150 nan 0.000 0.489 155 S N 0.410 115.383 115.700 -1.211 0.000 2.694 155 S HA 0.551 5.021 4.470 -0.000 0.000 0.278 155 S C 0.047 174.474 174.600 -0.287 0.000 1.152 155 S CA -0.437 57.393 58.200 -0.617 0.000 1.010 155 S CB 0.428 62.999 63.200 -1.048 0.000 1.104 155 S HN 0.530 nan 8.310 nan 0.000 0.547 156 I N 3.672 124.106 120.570 -0.227 0.000 2.306 156 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 156 I C -0.259 175.864 176.117 0.010 0.000 1.036 156 I CA -0.336 60.835 61.300 -0.214 0.000 1.221 156 I CB -0.628 36.874 38.000 -0.830 0.000 1.385 156 I HN 0.657 nan 8.210 nan 0.000 0.472 157 N N 4.447 123.246 118.700 0.164 0.000 3.277 157 N HA 0.231 4.971 4.740 -0.000 0.000 0.278 157 N C 0.133 175.750 175.510 0.178 0.000 1.544 157 N CA -0.673 52.506 53.050 0.216 0.000 0.869 157 N CB 0.213 38.913 38.487 0.355 0.000 1.584 157 N HN 0.049 nan 8.380 nan 0.000 0.564 158 N N -0.421 118.368 118.700 0.150 0.000 2.036 158 N HA -0.146 4.594 4.740 -0.000 0.000 0.195 158 N C 1.679 177.277 175.510 0.145 0.000 1.037 158 N CA 2.407 55.535 53.050 0.129 0.000 0.855 158 N CB -0.746 37.858 38.487 0.195 0.000 1.033 158 N HN 0.559 nan 8.380 nan 0.000 0.423 159 V N -1.526 118.452 119.914 0.108 0.000 2.358 159 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 159 V C 1.809 177.960 176.094 0.095 0.000 1.047 159 V CA 1.316 63.644 62.300 0.046 0.000 1.035 159 V CB -1.370 30.402 31.823 -0.085 0.000 0.658 159 V HN 0.181 nan 8.190 nan 0.000 0.452 160 Y N 0.068 120.472 120.300 0.174 0.000 2.333 160 Y HA 0.051 4.601 4.550 -0.000 0.000 0.290 160 Y C 2.050 178.139 175.900 0.315 0.000 1.144 160 Y CA 1.056 59.298 58.100 0.236 0.000 1.228 160 Y CB 0.079 38.660 38.460 0.202 0.000 0.985 160 Y HN 0.269 nan 8.280 nan 0.000 0.542 161 L N -1.286 120.153 121.223 0.360 0.000 2.667 161 L HA 0.100 4.440 4.340 -0.000 0.000 0.232 161 L C 0.130 177.142 176.870 0.237 0.000 1.138 161 L CA 0.396 55.384 54.840 0.247 0.000 0.921 161 L CB -1.241 40.871 42.059 0.089 0.000 1.180 161 L HN 0.243 nan 8.230 nan 0.000 0.487 162 H N -0.550 118.612 119.070 0.153 0.000 2.677 162 H HA -0.298 4.258 4.556 -0.000 0.000 0.321 162 H C 1.699 177.024 175.328 -0.005 0.000 1.171 162 H CA 0.194 56.318 56.048 0.127 0.000 1.139 162 H CB -0.112 29.713 29.762 0.104 0.000 1.515 162 H HN 0.364 nan 8.280 nan 0.000 0.423 163 Q N 0.430 120.262 119.800 0.053 0.000 2.084 163 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 163 Q C 0.345 175.987 176.000 -0.597 0.000 0.978 163 Q CA 2.382 57.976 55.803 -0.348 0.000 0.844 163 Q CB 0.173 28.607 28.738 -0.507 0.000 0.898 163 Q HN 0.619 nan 8.270 nan 0.000 0.426 164 F N -2.653 117.411 119.950 0.190 0.000 3.103 164 F HA 0.434 4.961 4.527 -0.000 0.000 0.165 164 F C 2.217 178.168 175.800 0.251 0.000 1.556 164 F CA 0.008 58.100 58.000 0.153 0.000 0.907 164 F CB -0.557 38.506 39.000 0.104 0.000 1.988 164 F HN -0.035 nan 8.300 nan 0.000 0.364 165 E N 0.781 121.251 120.200 0.451 0.000 2.122 165 E HA 0.196 4.546 4.350 -0.000 0.000 0.190 165 E C 0.906 177.733 176.600 0.379 0.000 0.977 165 E CA 1.063 57.694 56.400 0.384 0.000 0.820 165 E CB -0.921 28.921 29.700 0.237 0.000 0.770 165 E HN 0.387 nan 8.360 nan 0.000 0.462 166 K N 0.243 120.798 120.400 0.259 0.000 2.144 166 K HA 0.640 4.960 4.320 -0.000 0.000 0.270 166 K C -0.223 176.392 176.600 0.025 0.000 1.005 166 K CA -0.186 56.151 56.287 0.084 0.000 0.932 166 K CB 0.051 32.577 32.500 0.044 0.000 1.021 166 K HN 0.804 nan 8.250 nan 0.000 0.462 167 Y N -1.749 118.426 120.300 -0.209 0.000 2.609 167 Y HA 0.753 5.303 4.550 -0.000 0.000 0.342 167 Y C -0.290 175.566 175.900 -0.073 0.000 1.058 167 Y CA -1.542 56.433 58.100 -0.208 0.000 1.055 167 Y CB 1.853 40.049 38.460 -0.441 0.000 1.292 167 Y HN 0.621 nan 8.280 nan 0.000 0.476 168 R N 2.346 122.868 120.500 0.036 0.000 2.409 168 R HA 0.340 4.680 4.340 -0.000 0.000 0.313 168 R C -2.027 174.416 176.300 0.238 0.000 0.953 168 R CA -0.777 55.277 56.100 -0.076 0.000 0.849 168 R CB 0.759 30.788 30.300 -0.453 0.000 1.171 168 R HN 0.809 nan 8.270 nan 0.000 0.458 169 Y N 3.679 123.987 120.300 0.014 0.000 2.402 169 Y HA 0.228 4.778 4.550 -0.000 0.000 0.333 169 Y C -0.255 175.560 175.900 -0.140 0.000 1.076 169 Y CA -0.028 58.093 58.100 0.034 0.000 1.299 169 Y CB 0.583 38.891 38.460 -0.254 0.000 1.197 169 Y HN 0.695 nan 8.280 nan 0.000 0.517 170 D N 3.758 124.024 120.400 -0.223 0.000 2.781 170 D HA 0.460 5.100 4.640 -0.000 0.000 0.295 170 D C -0.998 174.566 176.300 -1.226 0.000 1.143 170 D CA -0.689 52.915 54.000 -0.659 0.000 1.076 170 D CB 1.876 42.422 40.800 -0.422 0.000 1.444 170 D HN 0.529 nan 8.370 nan 0.000 0.567 171 R N -0.184 119.610 120.500 -1.176 0.000 2.732 171 R HA 0.557 4.897 4.340 -0.000 0.000 0.278 171 R C -1.167 174.428 176.300 -1.176 0.000 0.976 171 R CA -0.655 54.833 56.100 -1.019 0.000 0.963 171 R CB 1.537 31.566 30.300 -0.451 0.000 1.150 171 R HN 0.336 nan 8.270 nan 0.000 0.478 172 Y N 0.352 120.576 120.300 -0.127 0.000 2.361 172 Y HA 0.321 4.871 4.550 -0.000 0.000 0.328 172 Y C -0.781 175.114 175.900 -0.007 0.000 1.044 172 Y CA -1.139 56.871 58.100 -0.150 0.000 1.085 172 Y CB 2.079 40.439 38.460 -0.167 0.000 1.194 172 Y HN 0.319 nan 8.280 nan 0.000 0.438 173 Q N 2.433 122.284 119.800 0.085 0.000 2.330 173 Q HA 0.420 4.760 4.340 -0.000 0.000 0.269 173 Q C -1.022 174.990 176.000 0.019 0.000 1.022 173 Q CA -0.888 54.892 55.803 -0.039 0.000 0.796 173 Q CB 2.656 31.276 28.738 -0.197 0.000 1.271 173 Q HN 0.405 nan 8.270 nan 0.000 0.450 174 K N 3.295 123.692 120.400 -0.006 0.000 2.240 174 K HA 0.516 4.836 4.320 -0.000 0.000 0.271 174 K C -1.115 175.480 176.600 -0.009 0.000 1.018 174 K CA -0.456 55.858 56.287 0.045 0.000 0.874 174 K CB 0.625 33.169 32.500 0.073 0.000 1.098 174 K HN 0.672 nan 8.250 nan 0.000 0.458 175 I N 3.128 123.715 120.570 0.029 0.000 2.411 175 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 175 I C -0.212 175.954 176.117 0.081 0.000 1.012 175 I CA -0.545 60.770 61.300 0.025 0.000 1.119 175 I CB 2.123 40.121 38.000 -0.004 0.000 1.261 175 I HN 0.385 nan 8.210 nan 0.000 0.448 176 T N 4.959 119.557 114.554 0.073 0.000 2.863 176 T HA 0.235 4.585 4.350 -0.000 0.000 0.299 176 T C -0.509 174.251 174.700 0.099 0.000 0.973 176 T CA 0.021 62.169 62.100 0.080 0.000 0.994 176 T CB -0.550 68.343 68.868 0.043 0.000 0.961 176 T HN 0.355 nan 8.240 nan 0.000 0.552 177 H N 1.756 120.838 119.070 0.021 0.000 3.287 177 H HA 0.414 4.970 4.556 -0.000 0.000 0.329 177 H C 0.534 175.870 175.328 0.014 0.000 1.130 177 H CA -0.719 55.336 56.048 0.011 0.000 1.593 177 H CB 0.760 30.522 29.762 -0.001 0.000 1.916 177 H HN 0.478 nan 8.280 nan 0.000 0.503 178 A N 3.391 126.340 122.820 0.215 0.000 1.917 178 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 178 A C 2.077 179.765 177.584 0.173 0.000 1.182 178 A CA 1.813 53.942 52.037 0.153 0.000 0.633 178 A CB -0.140 18.908 19.000 0.079 0.000 0.819 178 A HN 0.754 nan 8.150 nan 0.000 0.448 179 E N -1.020 119.358 120.200 0.298 0.000 2.107 179 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 179 E C 1.944 178.531 176.600 -0.021 0.000 0.982 179 E CA 0.967 57.444 56.400 0.128 0.000 0.809 179 E CB -0.121 29.682 29.700 0.172 0.000 0.756 179 E HN 0.486 nan 8.360 nan 0.000 0.459 180 L N 0.942 122.072 121.223 -0.154 0.000 2.046 180 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 180 L C 2.210 179.045 176.870 -0.057 0.000 1.077 180 L CA 2.082 56.806 54.840 -0.194 0.000 0.747 180 L CB -0.685 41.203 42.059 -0.286 0.000 0.896 180 L HN 0.022 nan 8.230 nan 0.000 0.432 181 A N -0.680 122.147 122.820 0.012 0.000 1.865 181 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 181 A C 2.015 179.593 177.584 -0.010 0.000 1.191 181 A CA 1.976 54.025 52.037 0.021 0.000 0.623 181 A CB -0.973 18.060 19.000 0.055 0.000 0.826 181 A HN 0.526 nan 8.150 nan 0.000 0.444 182 D N 0.033 120.432 120.400 -0.001 0.000 2.149 182 D HA -0.049 4.590 4.640 -0.000 0.000 0.198 182 D C 1.528 177.823 176.300 -0.008 0.000 0.990 182 D CA 1.149 55.136 54.000 -0.021 0.000 0.839 182 D CB -0.467 40.332 40.800 -0.000 0.000 0.948 182 D HN 0.381 nan 8.370 nan 0.000 0.460 186 N N 0.702 119.347 118.700 -0.092 0.000 2.120 186 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 186 N C 1.560 177.039 175.510 -0.050 0.000 1.024 186 N CA 2.134 55.144 53.050 -0.066 0.000 0.852 186 N CB -0.312 38.165 38.487 -0.017 0.000 1.003 186 N HN 0.564 nan 8.380 nan 0.000 0.424 187 F N 1.601 121.488 119.950 -0.105 0.000 2.134 187 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 187 F C 2.099 177.804 175.800 -0.158 0.000 1.097 187 F CA 1.041 58.933 58.000 -0.179 0.000 1.264 187 F CB -0.306 38.373 39.000 -0.534 0.000 1.001 187 F HN -0.064 nan 8.300 nan 0.000 0.479 188 I N 0.300 120.820 120.570 -0.083 0.000 2.142 188 I HA -0.348 3.822 4.170 -0.000 0.000 0.240 188 I C 2.335 178.325 176.117 -0.213 0.000 1.078 188 I CA 1.502 62.736 61.300 -0.109 0.000 1.343 188 I CB -0.659 37.407 38.000 0.109 0.000 1.046 188 I HN 0.205 nan 8.210 nan 0.000 0.405 189 N N 0.694 119.292 118.700 -0.169 0.000 2.106 189 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 189 N C 1.411 176.732 175.510 -0.315 0.000 1.029 189 N CA 1.613 54.550 53.050 -0.189 0.000 0.848 189 N CB -0.242 38.172 38.487 -0.121 0.000 1.007 189 N HN 0.326 nan 8.380 nan 0.000 0.423 190 D N -0.645 119.518 120.400 -0.395 0.000 2.149 190 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 190 D C 1.330 177.123 176.300 -0.845 0.000 0.972 190 D CA 1.172 54.808 54.000 -0.607 0.000 0.835 190 D CB -0.066 40.310 40.800 -0.708 0.000 0.966 190 D HN 0.352 nan 8.370 nan 0.000 0.476 191 Y N -0.465 119.472 120.300 -0.605 0.000 2.594 191 Y HA 0.292 4.842 4.550 -0.000 0.000 0.283 191 Y C 2.147 177.684 175.900 -0.605 0.000 1.140 191 Y CA -0.093 57.575 58.100 -0.720 0.000 1.261 191 Y CB -0.102 37.651 38.460 -1.177 0.000 1.358 191 Y HN -0.178 nan 8.280 nan 0.000 0.513 192 L N -0.267 120.642 121.223 -0.523 0.000 2.044 192 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 192 L C 0.771 177.526 176.870 -0.192 0.000 1.075 192 L CA 0.970 55.662 54.840 -0.247 0.000 0.747 192 L CB -0.351 41.599 42.059 -0.182 0.000 0.903 192 L HN 0.110 nan 8.230 nan 0.000 0.435 193 L N 1.466 122.458 121.223 -0.385 0.000 2.511 193 L HA 0.019 4.359 4.340 -0.000 0.000 0.239 193 L C -0.278 176.080 176.870 -0.854 0.000 1.400 193 L CA -0.275 54.148 54.840 -0.695 0.000 1.226 193 L CB -0.625 40.992 42.059 -0.737 0.000 1.475 193 L HN 0.109 nan 8.230 nan 0.000 0.428 194 D N 0.157 120.199 120.400 -0.596 0.000 2.347 194 D HA 0.061 4.701 4.640 -0.000 0.000 0.235 194 D C 0.688 176.614 176.300 -0.624 0.000 1.149 194 D CA -0.359 53.342 54.000 -0.497 0.000 0.850 194 D CB 0.776 41.492 40.800 -0.138 0.000 1.061 194 D HN 0.088 nan 8.370 nan 0.000 0.487 195 F N 1.524 121.290 119.950 -0.306 0.000 2.771 195 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 195 F C 2.518 178.060 175.800 -0.431 0.000 1.177 195 F CA 0.362 58.128 58.000 -0.390 0.000 1.450 195 F CB -0.414 38.407 39.000 -0.298 0.000 1.114 195 F HN 0.371 nan 8.300 nan 0.000 0.587 196 S N -0.842 114.743 115.700 -0.191 0.000 2.481 196 S HA 0.109 4.578 4.470 -0.000 0.000 0.231 196 S C 1.779 176.242 174.600 -0.229 0.000 0.996 196 S CA 0.682 58.786 58.200 -0.159 0.000 0.942 196 S CB -0.149 63.008 63.200 -0.071 0.000 0.768 196 S HN 0.238 nan 8.310 nan 0.000 0.520 197 A N 0.336 122.899 122.820 -0.429 0.000 2.140 197 A HA 0.590 4.910 4.320 -0.000 0.000 0.199 197 A C 0.450 177.701 177.584 -0.554 0.000 1.416 197 A CA -0.044 51.717 52.037 -0.460 0.000 1.018 197 A CB 0.506 19.103 19.000 -0.671 0.000 1.117 197 A HN 0.316 nan 8.150 nan 0.000 0.480 198 V N 1.335 120.850 119.914 -0.664 0.000 2.432 198 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 198 V C -0.947 174.959 176.094 -0.314 0.000 1.043 198 V CA -0.068 61.977 62.300 -0.425 0.000 0.925 198 V CB 0.169 31.700 31.823 -0.486 0.000 0.985 198 V HN 0.389 nan 8.190 nan 0.000 0.466 199 Y N 5.616 125.984 120.300 0.114 0.000 2.485 199 Y HA 0.500 5.050 4.550 -0.000 0.000 0.345 199 Y C -2.147 173.989 175.900 0.394 0.000 0.998 199 Y CA -2.843 55.417 58.100 0.267 0.000 1.059 199 Y CB 2.287 40.852 38.460 0.176 0.000 1.234 199 Y HN 0.432 nan 8.280 nan 0.000 0.461 200 P HA 0.084 nan 4.420 nan 0.000 0.267 200 P C 0.049 177.450 177.300 0.169 0.000 1.205 200 P CA 0.287 63.427 63.100 0.068 0.000 0.765 200 P CB 1.103 32.760 31.700 -0.071 0.000 0.828 201 L N 1.979 123.266 121.223 0.107 0.000 2.585 201 L HA 0.035 4.375 4.340 -0.000 0.000 0.226 201 L C 1.101 178.034 176.870 0.105 0.000 1.113 201 L CA 0.575 55.510 54.840 0.159 0.000 0.876 201 L CB -0.338 41.875 42.059 0.257 0.000 1.072 201 L HN 0.332 nan 8.230 nan 0.000 0.468 202 D N -0.003 120.410 120.400 0.022 0.000 2.460 202 D HA 0.102 4.742 4.640 -0.000 0.000 0.229 202 D C 0.208 176.501 176.300 -0.012 0.000 1.170 202 D CA -0.001 54.003 54.000 0.006 0.000 0.827 202 D CB -0.272 40.527 40.800 -0.001 0.000 0.973 202 D HN 0.081 nan 8.370 nan 0.000 0.496 203 V N -3.600 116.317 119.914 0.005 0.000 3.001 203 V HA 0.597 4.717 4.120 -0.000 0.000 0.314 203 V C 1.406 177.507 176.094 0.011 0.000 1.099 203 V CA -0.318 61.986 62.300 0.007 0.000 0.989 203 V CB 1.270 33.105 31.823 0.019 0.000 1.040 203 V HN 0.036 nan 8.190 nan 0.000 0.434 204 T N -1.180 113.376 114.554 0.004 0.000 2.857 204 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 204 T C 0.882 175.586 174.700 0.007 0.000 1.048 204 T CA 1.348 63.447 62.100 -0.002 0.000 1.139 204 T CB -0.506 68.358 68.868 -0.006 0.000 0.874 204 T HN 0.586 nan 8.240 nan 0.000 0.455 205 N N 2.241 120.953 118.700 0.019 0.000 3.324 205 N HA 0.274 5.014 4.740 -0.000 0.000 0.302 205 N C -0.707 174.828 175.510 0.042 0.000 1.360 205 N CA -0.222 52.842 53.050 0.024 0.000 1.190 205 N CB -0.061 38.439 38.487 0.021 0.000 1.462 205 N HN 0.442 nan 8.380 nan 0.000 0.532 206 R N 1.234 121.762 120.500 0.047 0.000 2.390 206 R HA 0.299 4.639 4.340 -0.000 0.000 0.291 206 R C -1.944 174.386 176.300 0.049 0.000 1.070 206 R CA -1.326 54.828 56.100 0.090 0.000 1.014 206 R CB 0.423 30.782 30.300 0.099 0.000 1.007 206 R HN 0.263 nan 8.270 nan 0.000 0.466 207 P HA 0.068 nan 4.420 nan 0.000 0.272 207 P C -0.710 176.650 177.300 0.101 0.000 1.230 207 P CA -0.216 62.831 63.100 -0.088 0.000 0.788 207 P CB 0.699 32.149 31.700 -0.417 0.000 0.949 208 R N 0.001 120.546 120.500 0.074 0.000 2.531 208 R HA 0.249 4.589 4.340 -0.000 0.000 0.273 208 R C 1.816 178.226 176.300 0.184 0.000 1.070 208 R CA -0.090 56.096 56.100 0.144 0.000 1.112 208 R CB -0.285 30.063 30.300 0.081 0.000 1.049 208 R HN 0.430 nan 8.270 nan 0.000 0.508 209 T N 2.387 117.124 114.554 0.305 0.000 2.570 209 T HA -0.286 4.064 4.350 -0.000 0.000 0.266 209 T C 1.524 176.307 174.700 0.138 0.000 1.071 209 T CA 2.210 64.481 62.100 0.284 0.000 1.172 209 T CB -0.251 68.862 68.868 0.408 0.000 0.864 209 T HN 0.677 nan 8.240 nan 0.000 0.421 210 K N 1.423 121.896 120.400 0.122 0.000 2.173 210 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 210 K C 2.102 178.730 176.600 0.047 0.000 1.046 210 K CA 2.026 58.360 56.287 0.077 0.000 0.929 210 K CB -0.259 32.281 32.500 0.066 0.000 0.720 210 K HN 0.430 nan 8.250 nan 0.000 0.453 211 E N 1.183 121.405 120.200 0.035 0.000 2.274 211 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 211 E C 1.382 177.973 176.600 -0.014 0.000 0.996 211 E CA 1.080 57.483 56.400 0.005 0.000 0.840 211 E CB 0.084 29.777 29.700 -0.011 0.000 0.772 211 E HN 0.715 nan 8.360 nan 0.000 0.491 212 I N -3.473 117.082 120.570 -0.025 0.000 3.817 212 I HA 0.287 4.457 4.170 -0.000 0.000 0.325 212 I C 1.296 177.405 176.117 -0.014 0.000 1.550 212 I CA -0.630 60.647 61.300 -0.040 0.000 1.100 212 I CB 0.424 38.351 38.000 -0.121 0.000 1.216 212 I HN -0.180 nan 8.210 nan 0.000 0.481 213 R N 1.870 122.381 120.500 0.017 0.000 2.094 213 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 213 R C 2.339 178.656 176.300 0.027 0.000 1.137 213 R CA 2.201 58.321 56.100 0.035 0.000 0.943 213 R CB -0.570 29.755 30.300 0.043 0.000 0.850 213 R HN 0.630 nan 8.270 nan 0.000 0.433 214 G N 1.155 109.968 108.800 0.021 0.000 2.442 214 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 214 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 214 G C 1.168 176.085 174.900 0.027 0.000 1.141 214 G CA 0.716 45.828 45.100 0.021 0.000 0.763 214 G HN 0.289 nan 8.290 nan 0.000 0.554 215 N N 0.628 119.341 118.700 0.022 0.000 2.142 215 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 215 N C 2.161 177.695 175.510 0.040 0.000 1.023 215 N CA 0.929 53.992 53.050 0.023 0.000 0.852 215 N CB -0.136 38.359 38.487 0.013 0.000 0.998 215 N HN 0.140 nan 8.380 nan 0.000 0.424 216 I N 1.876 122.463 120.570 0.027 0.000 2.127 216 I HA -0.227 3.943 4.170 -0.000 0.000 0.241 216 I C 2.466 178.664 176.117 0.135 0.000 1.075 216 I CA 1.059 62.403 61.300 0.073 0.000 1.334 216 I CB -1.219 36.815 38.000 0.056 0.000 1.040 216 I HN 0.119 nan 8.210 nan 0.000 0.405 217 R N 0.455 121.004 120.500 0.081 0.000 2.097 217 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 217 R C 2.335 178.672 176.300 0.062 0.000 1.135 217 R CA 2.129 58.264 56.100 0.059 0.000 0.934 217 R CB -0.515 29.802 30.300 0.028 0.000 0.846 217 R HN 0.424 nan 8.270 nan 0.000 0.431 218 A N -0.032 122.825 122.820 0.062 0.000 1.940 218 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 218 A C 1.992 179.632 177.584 0.093 0.000 1.176 218 A CA 1.550 53.622 52.037 0.058 0.000 0.631 218 A CB -0.774 18.254 19.000 0.048 0.000 0.814 218 A HN 0.589 nan 8.150 nan 0.000 0.446 219 Y N 0.298 120.585 120.300 -0.021 0.000 2.200 219 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 219 Y C 2.476 178.374 175.900 -0.004 0.000 1.137 219 Y CA 2.019 60.100 58.100 -0.030 0.000 1.163 219 Y CB -0.386 38.043 38.460 -0.052 0.000 0.988 219 Y HN 0.324 nan 8.280 nan 0.000 0.518 220 R N 0.639 121.122 120.500 -0.028 0.000 2.070 220 R HA -0.191 4.149 4.340 -0.000 0.000 0.233 220 R C 2.438 178.675 176.300 -0.104 0.000 1.137 220 R CA 1.961 57.993 56.100 -0.113 0.000 0.945 220 R CB -0.351 29.967 30.300 0.029 0.000 0.845 220 R HN 0.303 nan 8.270 nan 0.000 0.430 221 K N 0.113 120.487 120.400 -0.042 0.000 2.063 221 K HA -0.216 4.103 4.320 -0.000 0.000 0.208 221 K C 1.743 178.313 176.600 -0.049 0.000 1.048 221 K CA 2.141 58.408 56.287 -0.033 0.000 0.928 221 K CB -0.228 32.265 32.500 -0.012 0.000 0.713 221 K HN 0.169 nan 8.250 nan 0.000 0.442 222 D N 0.059 120.423 120.400 -0.061 0.000 2.097 222 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 222 D C 1.827 178.072 176.300 -0.092 0.000 0.984 222 D CA 0.743 54.709 54.000 -0.056 0.000 0.826 222 D CB -0.002 40.781 40.800 -0.028 0.000 0.973 222 D HN 0.128 nan 8.370 nan 0.000 0.460 223 L N 0.355 121.458 121.223 -0.200 0.000 2.056 223 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 223 L C 2.163 179.026 176.870 -0.011 0.000 1.078 223 L CA 1.954 56.672 54.840 -0.204 0.000 0.749 223 L CB -0.938 40.864 42.059 -0.429 0.000 0.901 223 L HN 0.073 nan 8.230 nan 0.000 0.433 224 A N -0.488 122.323 122.820 -0.015 0.000 1.902 224 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 224 A C 2.195 179.776 177.584 -0.005 0.000 1.181 224 A CA 1.867 53.911 52.037 0.012 0.000 0.623 224 A CB -0.647 18.337 19.000 -0.028 0.000 0.818 224 A HN 0.754 nan 8.150 nan 0.000 0.443 225 Q N -1.901 117.883 119.800 -0.027 0.000 2.302 225 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 225 Q C 0.966 176.940 176.000 -0.045 0.000 0.936 225 Q CA 1.182 56.966 55.803 -0.032 0.000 0.886 225 Q CB -0.026 28.696 28.738 -0.027 0.000 0.986 225 Q HN 0.573 nan 8.270 nan 0.000 0.487 226 N N 0.485 119.142 118.700 -0.073 0.000 2.317 226 N HA 0.101 4.840 4.740 -0.000 0.000 0.199 226 N C 0.341 175.584 175.510 -0.446 0.000 1.145 226 N CA 0.672 53.644 53.050 -0.131 0.000 0.882 226 N CB 0.649 39.139 38.487 0.005 0.000 1.113 226 N HN 0.253 nan 8.380 nan 0.000 0.486 227 G N 1.838 110.322 108.800 -0.526 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 -0.080 174.534 174.900 -0.476 0.000 1.272 227 G CA 0.242 44.746 45.100 -0.994 0.000 0.921 227 G HN 0.362 nan 8.290 nan 0.000 0.495 228 E N 1.356 121.202 120.200 -0.590 0.000 2.390 228 E HA 0.344 4.694 4.350 -0.000 0.000 0.280 228 E C -1.717 174.810 176.600 -0.121 0.000 0.992 228 E CA -1.041 55.234 56.400 -0.208 0.000 0.790 228 E CB 0.954 30.587 29.700 -0.111 0.000 1.248 228 E HN 0.401 nan 8.360 nan 0.000 0.447 229 Y N 0.661 120.911 120.300 -0.083 0.000 2.307 229 Y HA 0.456 5.006 4.550 -0.000 0.000 0.324 229 Y C 0.331 176.229 175.900 -0.005 0.000 1.238 229 Y CA -0.124 57.957 58.100 -0.032 0.000 1.280 229 Y CB 2.027 40.383 38.460 -0.173 0.000 1.248 229 Y HN 0.421 nan 8.280 nan 0.000 0.508 230 S N 2.654 118.461 115.700 0.178 0.000 2.503 230 S HA 0.677 5.147 4.470 -0.000 0.000 0.301 230 S C -0.972 173.660 174.600 0.054 0.000 1.087 230 S CA -0.813 57.440 58.200 0.090 0.000 1.042 230 S CB 0.863 64.110 63.200 0.078 0.000 1.043 230 S HN 0.412 nan 8.310 nan 0.000 0.489 231 L N 2.476 123.708 121.223 0.016 0.000 2.342 231 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 231 L C 0.843 177.718 176.870 0.007 0.000 1.008 231 L CA -0.647 54.191 54.840 -0.004 0.000 0.818 231 L CB 1.806 43.845 42.059 -0.033 0.000 1.296 231 L HN 0.632 nan 8.230 nan 0.000 0.427 232 K N 0.272 120.679 120.400 0.012 0.000 2.141 232 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 232 K C 1.056 177.671 176.600 0.024 0.000 1.045 232 K CA 0.958 57.256 56.287 0.019 0.000 0.971 232 K CB 0.300 32.813 32.500 0.022 0.000 0.795 232 K HN 0.654 nan 8.250 nan 0.000 0.459 233 S N 0.128 115.848 115.700 0.033 0.000 2.526 233 S HA 0.435 4.905 4.470 -0.000 0.000 0.245 233 S C -0.035 174.595 174.600 0.050 0.000 1.103 233 S CA -0.904 57.321 58.200 0.042 0.000 1.095 233 S CB 0.679 63.910 63.200 0.052 0.000 0.826 233 S HN 0.180 nan 8.310 nan 0.000 0.468 234 A N 1.630 124.473 122.820 0.038 0.000 2.401 234 A HA 0.684 5.004 4.320 -0.000 0.000 0.259 234 A C 0.372 177.994 177.584 0.063 0.000 1.103 234 A CA -0.443 51.623 52.037 0.050 0.000 0.789 234 A CB 0.375 19.382 19.000 0.011 0.000 1.035 234 A HN 1.281 nan 8.150 nan 0.000 0.491 235 V N 0.058 120.034 119.914 0.103 0.000 2.960 235 V HA 0.658 4.778 4.120 -0.000 0.000 0.315 235 V C -0.315 175.869 176.094 0.149 0.000 1.087 235 V CA -1.228 61.133 62.300 0.102 0.000 0.982 235 V CB 1.507 33.385 31.823 0.092 0.000 1.039 235 V HN 0.841 nan 8.190 nan 0.000 0.437 236 K N 2.055 122.525 120.400 0.116 0.000 2.185 236 K HA 0.635 4.955 4.320 -0.000 0.000 0.271 236 K C -0.276 176.401 176.600 0.127 0.000 1.013 236 K CA -0.633 55.736 56.287 0.137 0.000 0.943 236 K CB 0.851 33.399 32.500 0.080 0.000 0.998 236 K HN 0.762 nan 8.250 nan 0.000 0.468 237 L N 1.911 123.206 121.223 0.121 0.000 3.879 237 L HA -0.203 4.137 4.340 -0.000 0.000 0.481 237 L C -1.760 175.185 176.870 0.124 0.000 1.232 237 L CA -0.641 54.254 54.840 0.092 0.000 0.736 237 L CB -1.575 40.525 42.059 0.069 0.000 1.511 237 L HN 0.567 nan 8.230 nan 0.000 0.830 238 P HA 0.036 nan 4.420 nan 0.000 0.273 238 P C 0.156 177.481 177.300 0.042 0.000 1.250 238 P CA -0.217 62.935 63.100 0.086 0.000 0.793 238 P CB 0.665 32.415 31.700 0.083 0.000 1.011 239 N N -0.460 118.234 118.700 -0.010 0.000 2.321 239 N HA 0.216 4.956 4.740 -0.000 0.000 0.242 239 N C -1.058 174.386 175.510 -0.109 0.000 1.141 239 N CA -0.326 52.688 53.050 -0.060 0.000 0.864 239 N CB -0.172 38.296 38.487 -0.032 0.000 1.100 239 N HN 0.154 nan 8.380 nan 0.000 0.510 240 V N 0.306 120.142 119.914 -0.130 0.000 3.087 240 V HA 0.413 4.532 4.120 -0.000 0.000 0.306 240 V C -0.906 175.086 176.094 -0.169 0.000 1.187 240 V CA -1.221 61.006 62.300 -0.121 0.000 0.999 240 V CB 1.782 33.575 31.823 -0.050 0.000 1.049 240 V HN 0.072 nan 8.190 nan 0.000 0.431 241 L N 4.656 125.788 121.223 -0.152 0.000 2.615 241 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 241 L C 0.060 176.899 176.870 -0.052 0.000 1.237 241 L CA 1.482 56.241 54.840 -0.135 0.000 0.905 241 L CB 0.242 42.258 42.059 -0.072 0.000 1.149 241 L HN 0.815 nan 8.230 nan 0.000 0.499 242 S N 2.570 118.254 115.700 -0.027 0.000 2.596 242 S HA 0.713 5.183 4.470 -0.000 0.000 0.270 242 S C -1.505 173.250 174.600 0.258 0.000 1.155 242 S CA -0.485 57.783 58.200 0.112 0.000 0.827 242 S CB 1.947 65.206 63.200 0.099 0.000 1.130 242 S HN 0.685 nan 8.310 nan 0.000 0.467 243 V N 1.593 121.702 119.914 0.326 0.000 2.709 243 V HA 0.847 4.966 4.120 -0.000 0.000 0.308 243 V C -1.010 175.138 176.094 0.090 0.000 1.062 243 V CA -0.192 62.232 62.300 0.207 0.000 0.901 243 V CB 2.029 33.841 31.823 -0.018 0.000 1.003 243 V HN 0.804 nan 8.190 nan 0.000 0.425 244 S N 8.045 123.678 115.700 -0.111 0.000 2.659 244 S HA 0.684 5.153 4.470 -0.000 0.000 0.312 244 S C -2.919 171.458 174.600 -0.370 0.000 1.114 244 S CA -1.281 56.657 58.200 -0.437 0.000 1.063 244 S CB 1.944 64.539 63.200 -1.008 0.000 0.996 244 S HN 0.734 nan 8.310 nan 0.000 0.478 245 P HA 0.430 nan 4.420 nan 0.000 0.285 245 P C -1.191 175.847 177.300 -0.438 0.000 1.259 245 P CA -0.500 62.256 63.100 -0.574 0.000 0.794 245 P CB 0.872 32.060 31.700 -0.852 0.000 0.940 246 L N 3.533 124.541 121.223 -0.359 0.000 2.401 246 L HA 0.602 4.942 4.340 -0.000 0.000 0.266 246 L C -0.487 176.420 176.870 0.062 0.000 0.991 246 L CA -0.956 53.812 54.840 -0.121 0.000 0.818 246 L CB 2.111 44.063 42.059 -0.179 0.000 1.321 246 L HN 0.313 nan 8.230 nan 0.000 0.413 247 F N 0.767 120.669 119.950 -0.080 0.000 2.576 247 F HA 0.866 5.393 4.527 -0.000 0.000 0.313 247 F C -0.245 175.474 175.800 -0.135 0.000 1.078 247 F CA -0.533 57.395 58.000 -0.120 0.000 0.921 247 F CB 2.334 41.147 39.000 -0.312 0.000 1.232 247 F HN 0.339 nan 8.300 nan 0.000 0.459 248 G N 4.563 112.659 108.800 -1.175 0.000 2.753 248 G HA2 0.600 4.560 3.960 -0.000 0.000 0.297 248 G HA3 0.600 4.560 3.960 -0.000 0.000 0.297 248 G C -2.868 171.388 174.900 -1.073 0.000 1.430 248 G CA -0.719 43.816 45.100 -0.943 0.000 1.040 248 G HN 0.897 nan 8.290 nan 0.000 0.530 249 L N 1.614 122.422 121.223 -0.691 0.000 2.516 249 L HA 0.830 5.169 4.340 -0.000 0.000 0.267 249 L C 0.175 176.926 176.870 -0.198 0.000 0.957 249 L CA 1.033 55.658 54.840 -0.360 0.000 0.860 249 L CB 1.557 43.503 42.059 -0.187 0.000 1.265 249 L HN 2.256 nan 8.230 nan 0.000 0.403 250 G N 2.900 111.619 108.800 -0.135 0.000 2.707 250 G HA2 0.272 4.232 3.960 -0.000 0.000 0.686 250 G HA3 0.272 4.232 3.960 -0.000 0.000 0.686 250 G C 0.327 175.165 174.900 -0.103 0.000 1.315 250 G CA -0.225 44.831 45.100 -0.074 0.000 0.832 250 G HN 1.614 nan 8.290 nan 0.000 0.573 251 A N -0.169 122.623 122.820 -0.046 0.000 1.970 251 A HA 0.690 5.010 4.320 -0.000 0.000 0.216 251 A C 1.961 179.512 177.584 -0.055 0.000 1.170 251 A CA 2.579 54.595 52.037 -0.035 0.000 0.645 251 A CB -0.668 18.351 19.000 0.031 0.000 0.816 251 A HN 2.645 nan 8.150 nan 0.000 0.447 252 S N -1.270 114.400 115.700 -0.051 0.000 2.541 252 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 252 S C 1.071 175.626 174.600 -0.074 0.000 1.196 252 S CA -0.099 58.072 58.200 -0.049 0.000 1.062 252 S CB 0.350 63.533 63.200 -0.028 0.000 1.009 252 S HN 1.868 nan 8.310 nan 0.000 0.502 253 G N 1.702 110.458 108.800 -0.074 0.000 2.258 253 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.274 253 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.274 253 G C 0.127 174.955 174.900 -0.121 0.000 1.021 253 G CA 0.254 45.304 45.100 -0.082 0.000 0.798 253 G HN 0.891 nan 8.290 nan 0.000 0.507 254 N N 0.515 119.115 118.700 -0.167 0.000 2.439 254 N HA 0.190 4.930 4.740 -0.000 0.000 0.243 254 N C 1.220 176.580 175.510 -0.250 0.000 1.088 254 N CA 0.349 53.249 53.050 -0.249 0.000 0.940 254 N CB 0.634 38.919 38.487 -0.336 0.000 1.180 254 N HN 0.618 nan 8.380 nan 0.000 0.505 255 E N 3.084 123.157 120.200 -0.212 0.000 2.051 255 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 255 E C 1.586 178.052 176.600 -0.223 0.000 0.991 255 E CA 0.877 57.168 56.400 -0.182 0.000 0.799 255 E CB 0.110 29.730 29.700 -0.133 0.000 0.748 255 E HN 0.549 nan 8.360 nan 0.000 0.449 256 L N 1.729 122.788 121.223 -0.273 0.000 1.990 256 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 256 L C 1.723 178.378 176.870 -0.358 0.000 1.072 256 L CA 1.963 56.626 54.840 -0.294 0.000 0.755 256 L CB -0.732 41.134 42.059 -0.321 0.000 0.889 256 L HN 0.155 nan 8.230 nan 0.000 0.432 257 N N -0.577 117.806 118.700 -0.528 0.000 2.166 257 N HA -0.194 4.545 4.740 -0.000 0.000 0.186 257 N C 1.857 177.182 175.510 -0.309 0.000 1.019 257 N CA 1.369 54.002 53.050 -0.696 0.000 0.856 257 N CB -0.303 37.418 38.487 -1.277 0.000 0.993 257 N HN 0.543 nan 8.380 nan 0.000 0.426 258 Q N 0.261 119.920 119.800 -0.236 0.000 2.096 258 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 258 Q C 2.055 177.991 176.000 -0.108 0.000 0.982 258 Q CA 1.120 56.847 55.803 -0.127 0.000 0.850 258 Q CB -0.025 28.642 28.738 -0.118 0.000 0.901 258 Q HN 0.123 nan 8.270 nan 0.000 0.422 259 V N 0.790 120.619 119.914 -0.141 0.000 2.295 259 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 259 V C 2.087 178.126 176.094 -0.091 0.000 1.049 259 V CA 1.736 63.958 62.300 -0.130 0.000 1.024 259 V CB -0.476 31.254 31.823 -0.156 0.000 0.648 259 V HN 0.366 nan 8.190 nan 0.000 0.447 260 I N -0.098 120.426 120.570 -0.077 0.000 2.163 260 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 260 I C 2.539 178.652 176.117 -0.008 0.000 1.085 260 I CA 1.879 63.182 61.300 0.004 0.000 1.347 260 I CB -0.544 37.488 38.000 0.053 0.000 1.044 260 I HN 0.385 nan 8.210 nan 0.000 0.408 261 E N 0.719 120.910 120.200 -0.015 0.000 2.085 261 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 261 E C 1.708 178.325 176.600 0.028 0.000 0.994 261 E CA 1.524 57.906 56.400 -0.030 0.000 0.801 261 E CB -0.166 29.556 29.700 0.037 0.000 0.743 261 E HN 0.495 nan 8.360 nan 0.000 0.453 262 D N 0.559 120.962 120.400 0.005 0.000 2.183 262 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 262 D C 2.056 178.358 176.300 0.004 0.000 0.969 262 D CA 0.568 54.567 54.000 -0.003 0.000 0.842 262 D CB -0.121 40.651 40.800 -0.047 0.000 0.957 262 D HN 0.140 nan 8.370 nan 0.000 0.484 263 L N -0.376 120.851 121.223 0.007 0.000 2.017 263 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 263 L C 2.377 179.337 176.870 0.151 0.000 1.073 263 L CA 1.046 55.889 54.840 0.006 0.000 0.745 263 L CB -0.419 41.647 42.059 0.012 0.000 0.894 263 L HN 0.008 nan 8.230 nan 0.000 0.432 264 F N -0.367 119.556 119.950 -0.046 0.000 2.171 264 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 264 F C 2.290 178.075 175.800 -0.024 0.000 1.090 264 F CA 0.726 58.703 58.000 -0.038 0.000 1.293 264 F CB -0.087 38.880 39.000 -0.056 0.000 1.013 264 F HN -0.003 nan 8.300 nan 0.000 0.486 265 L N -0.748 120.581 121.223 0.176 0.000 2.291 265 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 265 L C 1.742 178.648 176.870 0.061 0.000 1.120 265 L CA 0.764 55.661 54.840 0.095 0.000 0.799 265 L CB -0.316 41.784 42.059 0.068 0.000 0.925 265 L HN 0.109 nan 8.230 nan 0.000 0.446 266 Q N -0.133 119.699 119.800 0.055 0.000 2.220 266 Q HA 0.168 4.508 4.340 -0.000 0.000 0.205 266 Q C -0.077 175.962 176.000 0.065 0.000 0.865 266 Q CA -0.061 55.773 55.803 0.052 0.000 0.960 266 Q CB 0.600 29.363 28.738 0.042 0.000 1.097 266 Q HN 0.177 nan 8.270 nan 0.000 0.493 267 V N 2.560 122.499 119.914 0.041 0.000 2.540 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.297 267 V C 1.329 177.440 176.094 0.030 0.000 1.024 267 V CA 0.585 62.900 62.300 0.026 0.000 1.105 267 V CB 0.904 32.706 31.823 -0.034 0.000 0.938 267 V HN 0.259 nan 8.190 nan 0.000 0.482 268 Q N 3.521 123.345 119.800 0.040 0.000 2.349 268 Q HA 0.122 4.462 4.340 -0.000 0.000 0.209 268 Q C 1.354 177.362 176.000 0.014 0.000 0.920 268 Q CA 0.988 56.809 55.803 0.030 0.000 0.901 268 Q CB 0.529 29.291 28.738 0.039 0.000 1.021 268 Q HN 0.751 nan 8.270 nan 0.000 0.519 269 K N -0.410 119.996 120.400 0.009 0.000 2.625 269 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 269 K C 0.278 176.869 176.600 -0.015 0.000 1.412 269 K CA 0.057 56.343 56.287 -0.002 0.000 0.989 269 K CB 1.209 33.709 32.500 -0.001 0.000 1.682 269 K HN -0.176 nan 8.250 nan 0.000 0.496 270 K N 1.162 121.553 120.400 -0.014 0.000 2.501 270 K HA 0.366 4.686 4.320 -0.000 0.000 0.252 270 K C -2.102 174.478 176.600 -0.034 0.000 0.934 270 K CA -0.678 55.591 56.287 -0.030 0.000 0.797 270 K CB 1.782 34.263 32.500 -0.032 0.000 1.270 270 K HN -0.051 nan 8.250 nan 0.000 0.431 271 L N 4.513 125.693 121.223 -0.072 0.000 2.333 271 L HA 0.599 4.939 4.340 -0.000 0.000 0.280 271 L C -1.667 175.165 176.870 -0.063 0.000 1.004 271 L CA -0.534 54.241 54.840 -0.108 0.000 0.820 271 L CB 1.919 43.812 42.059 -0.276 0.000 1.247 271 L HN 0.449 nan 8.230 nan 0.000 0.416 272 V N 6.295 126.231 119.914 0.037 0.000 2.555 272 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 272 V C -0.143 176.111 176.094 0.266 0.000 1.038 272 V CA -0.450 61.903 62.300 0.089 0.000 0.887 272 V CB 1.768 33.556 31.823 -0.057 0.000 0.991 272 V HN 0.647 nan 8.190 nan 0.000 0.434 273 I N 3.001 123.713 120.570 0.236 0.000 2.533 273 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 273 I C -0.836 175.491 176.117 0.351 0.000 1.056 273 I CA -0.219 61.264 61.300 0.304 0.000 1.057 273 I CB 2.165 40.306 38.000 0.235 0.000 1.240 273 I HN 0.520 nan 8.210 nan 0.000 0.423 274 C N 3.537 123.059 119.300 0.370 0.000 2.351 274 C HA 0.798 5.258 4.460 -0.000 0.000 0.326 274 C C 0.311 175.393 174.990 0.153 0.000 1.272 274 C CA -0.234 58.952 59.018 0.281 0.000 1.650 274 C CB 1.333 29.229 27.740 0.260 0.000 2.257 274 C HN 0.791 nan 8.230 nan 0.000 0.505 275 T N 3.676 118.308 114.554 0.130 0.000 2.956 275 T HA 0.424 4.773 4.350 -0.000 0.000 0.312 275 T C -2.200 172.472 174.700 -0.047 0.000 1.151 275 T CA -1.112 60.960 62.100 -0.047 0.000 1.024 275 T CB 1.869 70.653 68.868 -0.141 0.000 1.140 275 T HN 0.328 nan 8.240 nan 0.000 0.473 276 P HA 0.044 nan 4.420 nan 0.000 0.214 276 P C -0.585 176.426 177.300 -0.482 0.000 1.162 276 P CA 1.198 64.028 63.100 -0.450 0.000 0.879 276 P CB -0.012 31.081 31.700 -1.011 0.000 0.786 277 Y N -2.632 117.574 120.300 -0.158 0.000 2.409 277 Y HA 0.455 5.004 4.550 -0.000 0.000 0.339 277 Y C 0.040 175.680 175.900 -0.434 0.000 1.033 277 Y CA -1.713 56.157 58.100 -0.383 0.000 1.094 277 Y CB 0.180 38.059 38.460 -0.968 0.000 1.210 277 Y HN -0.219 nan 8.280 nan 0.000 0.456 278 F N 4.025 123.794 119.950 -0.302 0.000 2.556 278 F HA 0.228 4.755 4.527 -0.000 0.000 0.344 278 F C 0.101 175.663 175.800 -0.397 0.000 1.255 278 F CA 0.110 57.875 58.000 -0.392 0.000 1.091 278 F CB -0.247 38.649 39.000 -0.174 0.000 1.325 278 F HN 0.588 nan 8.300 nan 0.000 0.627 279 N N 5.222 123.366 118.700 -0.926 0.000 2.666 279 N HA 0.134 4.873 4.740 -0.000 0.000 0.253 279 N C -1.416 173.728 175.510 -0.609 0.000 1.621 279 N CA -0.370 52.331 53.050 -0.582 0.000 0.785 279 N CB -0.191 38.096 38.487 -0.333 0.000 1.332 279 N HN 0.112 nan 8.380 nan 0.000 0.514 280 F N 1.126 120.733 119.950 -0.572 0.000 2.459 280 F HA 0.377 4.903 4.527 -0.000 0.000 0.346 280 F C -1.331 174.196 175.800 -0.455 0.000 1.128 280 F CA -1.639 56.053 58.000 -0.514 0.000 1.268 280 F CB 0.111 38.784 39.000 -0.544 0.000 1.161 280 F HN 0.205 nan 8.300 nan 0.000 0.583 281 P HA 0.070 nan 4.420 nan 0.000 0.266 281 P C 0.699 177.763 177.300 -0.393 0.000 1.193 281 P CA 0.253 63.078 63.100 -0.458 0.000 0.770 281 P CB 0.315 31.429 31.700 -0.976 0.000 0.836 282 R N 2.012 122.323 120.500 -0.315 0.000 2.103 282 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 282 R C 2.251 178.233 176.300 -0.531 0.000 1.142 282 R CA 2.749 58.608 56.100 -0.402 0.000 0.960 282 R CB -2.392 27.765 30.300 -0.239 0.000 0.858 282 R HN 0.614 nan 8.270 nan 0.000 0.439 283 T N -0.004 114.361 114.554 -0.315 0.000 2.759 283 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 283 T C 1.912 176.460 174.700 -0.253 0.000 1.042 283 T CA 1.488 63.492 62.100 -0.161 0.000 1.140 283 T CB -0.253 68.550 68.868 -0.108 0.000 0.864 283 T HN 0.453 nan 8.240 nan 0.000 0.455 284 L N -0.003 120.947 121.223 -0.454 0.000 2.270 284 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 284 L C 2.873 179.557 176.870 -0.311 0.000 1.104 284 L CA 0.908 55.443 54.840 -0.508 0.000 0.804 284 L CB -0.438 41.148 42.059 -0.787 0.000 0.937 284 L HN 0.361 nan 8.230 nan 0.000 0.450 285 Q N -0.772 118.852 119.800 -0.294 0.000 2.046 285 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 285 Q C 2.199 178.208 176.000 0.014 0.000 0.975 285 Q CA 1.241 56.962 55.803 -0.137 0.000 0.836 285 Q CB -0.080 28.573 28.738 -0.142 0.000 0.896 285 Q HN 0.535 nan 8.270 nan 0.000 0.428 286 H N 0.911 120.005 119.070 0.040 0.000 2.352 286 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 286 H C 1.858 177.224 175.328 0.063 0.000 1.097 286 H CA 1.289 57.376 56.048 0.064 0.000 1.311 286 H CB -0.016 29.764 29.762 0.030 0.000 1.377 286 H HN 0.180 nan 8.280 nan 0.000 0.504 287 K N 0.165 120.657 120.400 0.155 0.000 2.148 287 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 287 K C 2.343 179.024 176.600 0.136 0.000 1.050 287 K CA 0.710 57.087 56.287 0.150 0.000 0.942 287 K CB 0.050 32.650 32.500 0.168 0.000 0.724 287 K HN 0.158 nan 8.250 nan 0.000 0.446 288 I N 0.942 121.577 120.570 0.109 0.000 2.226 288 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 288 I C 2.433 178.529 176.117 -0.035 0.000 1.100 288 I CA 1.107 62.413 61.300 0.010 0.000 1.374 288 I CB -0.341 37.655 38.000 -0.007 0.000 1.057 288 I HN 0.140 nan 8.210 nan 0.000 0.413 289 A N 0.281 123.154 122.820 0.089 0.000 1.933 289 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 289 A C 2.382 180.038 177.584 0.120 0.000 1.175 289 A CA 2.344 54.486 52.037 0.175 0.000 0.628 289 A CB -1.007 18.237 19.000 0.406 0.000 0.814 289 A HN 0.388 nan 8.150 nan 0.000 0.444 290 T N 0.555 115.170 114.554 0.101 0.000 2.737 290 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 290 T C 1.827 176.549 174.700 0.036 0.000 1.038 290 T CA 1.373 63.517 62.100 0.072 0.000 1.144 290 T CB -0.398 68.512 68.868 0.070 0.000 0.866 290 T HN 0.372 nan 8.240 nan 0.000 0.434 291 L N 0.483 121.712 121.223 0.010 0.000 2.012 291 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 291 L C 2.533 179.380 176.870 -0.037 0.000 1.073 291 L CA 1.341 56.167 54.840 -0.023 0.000 0.748 291 L CB -0.687 41.336 42.059 -0.060 0.000 0.891 291 L HN 0.252 nan 8.230 nan 0.000 0.431 292 L N -0.118 121.061 121.223 -0.075 0.000 2.056 292 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 292 L C 3.140 180.015 176.870 0.008 0.000 1.078 292 L CA 1.567 56.357 54.840 -0.084 0.000 0.749 292 L CB -0.988 40.914 42.059 -0.262 0.000 0.901 292 L HN 0.366 nan 8.230 nan 0.000 0.433 293 E N -0.036 120.195 120.200 0.051 0.000 2.268 293 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 293 E C 1.486 178.109 176.600 0.038 0.000 0.995 293 E CA 1.297 57.737 56.400 0.066 0.000 0.836 293 E CB -0.523 29.227 29.700 0.083 0.000 0.763 293 E HN 0.489 nan 8.360 nan 0.000 0.491 294 N N -0.824 117.891 118.700 0.025 0.000 2.238 294 N HA 0.263 5.003 4.740 -0.000 0.000 0.222 294 N C 1.083 176.598 175.510 0.010 0.000 1.133 294 N CA 0.680 53.741 53.050 0.018 0.000 0.854 294 N CB 1.125 39.623 38.487 0.018 0.000 1.041 294 N HN 0.521 nan 8.380 nan 0.000 0.510 295 G N 0.708 109.512 108.800 0.006 0.000 2.159 295 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 295 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 295 G C 0.084 174.979 174.900 -0.009 0.000 0.977 295 G CA 0.125 45.225 45.100 0.001 0.000 0.652 295 G HN 0.173 nan 8.290 nan 0.000 0.531 296 K N 0.485 120.875 120.400 -0.017 0.000 2.168 296 K HA 0.523 4.843 4.320 -0.000 0.000 0.258 296 K C 0.739 177.316 176.600 -0.038 0.000 1.010 296 K CA -0.465 55.807 56.287 -0.026 0.000 0.929 296 K CB 0.647 33.128 32.500 -0.032 0.000 0.998 296 K HN 0.228 nan 8.250 nan 0.000 0.479 297 R N 0.476 120.953 120.500 -0.038 0.000 2.457 297 R HA 0.494 4.834 4.340 -0.000 0.000 0.284 297 R C -0.302 175.963 176.300 -0.058 0.000 1.024 297 R CA -0.875 55.200 56.100 -0.041 0.000 1.025 297 R CB 0.732 31.013 30.300 -0.033 0.000 1.063 297 R HN 0.294 nan 8.270 nan 0.000 0.493 298 V N 1.210 121.093 119.914 -0.053 0.000 2.733 298 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 298 V C -0.386 175.701 176.094 -0.010 0.000 1.084 298 V CA -0.831 61.436 62.300 -0.055 0.000 0.905 298 V CB 2.222 34.004 31.823 -0.069 0.000 1.010 298 V HN 0.732 nan 8.190 nan 0.000 0.424 299 E N 4.500 124.697 120.200 -0.005 0.000 2.199 299 E HA 0.694 5.044 4.350 -0.000 0.000 0.265 299 E C -1.649 174.997 176.600 0.076 0.000 0.882 299 E CA -0.605 55.810 56.400 0.025 0.000 0.759 299 E CB 1.759 31.447 29.700 -0.021 0.000 1.148 299 E HN 0.679 nan 8.360 nan 0.000 0.412 300 I N 5.845 126.493 120.570 0.131 0.000 2.436 300 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 300 I C -0.488 175.729 176.117 0.167 0.000 1.010 300 I CA -0.820 60.599 61.300 0.199 0.000 1.098 300 I CB 1.691 39.870 38.000 0.299 0.000 1.266 300 I HN 0.464 nan 8.210 nan 0.000 0.434 301 I N 7.238 127.917 120.570 0.181 0.000 2.382 301 I HA 0.517 4.687 4.170 -0.000 0.000 0.286 301 I C -0.307 175.880 176.117 0.117 0.000 1.002 301 I CA -0.836 60.548 61.300 0.141 0.000 1.135 301 I CB 1.626 39.737 38.000 0.185 0.000 1.288 301 I HN 0.298 nan 8.210 nan 0.000 0.448 302 V N 1.969 121.852 119.914 -0.051 0.000 3.141 302 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 302 V C 0.315 176.083 176.094 -0.543 0.000 1.157 302 V CA -0.853 61.335 62.300 -0.187 0.000 1.041 302 V CB 1.461 33.287 31.823 0.004 0.000 1.071 302 V HN 0.729 nan 8.190 nan 0.000 0.441 303 G N 0.197 108.649 108.800 -0.580 0.000 2.432 303 G HA2 0.309 4.269 3.960 -0.000 0.000 0.257 303 G HA3 0.309 4.269 3.960 -0.000 0.000 0.257 303 G C -0.220 174.639 174.900 -0.068 0.000 1.238 303 G CA -0.084 44.830 45.100 -0.310 0.000 0.838 303 G HN 0.927 nan 8.290 nan 0.000 0.547 304 D N 1.099 121.483 120.400 -0.026 0.000 2.478 304 D HA -0.052 4.587 4.640 -0.000 0.000 0.234 304 D C 1.565 177.826 176.300 -0.065 0.000 1.154 304 D CA 0.152 54.122 54.000 -0.050 0.000 0.874 304 D CB 0.651 41.401 40.800 -0.084 0.000 1.198 304 D HN 0.401 nan 8.370 nan 0.000 0.455 305 K N 1.631 121.958 120.400 -0.122 0.000 2.108 305 K HA -0.227 4.093 4.320 -0.000 0.000 0.219 305 K C 1.794 178.172 176.600 -0.369 0.000 1.054 305 K CA 1.623 57.774 56.287 -0.227 0.000 0.945 305 K CB -0.229 32.019 32.500 -0.419 0.000 0.728 305 K HN 0.343 nan 8.250 nan 0.000 0.462 306 V N 0.196 119.763 119.914 -0.578 0.000 2.970 306 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 306 V C 1.813 177.759 176.094 -0.246 0.000 1.100 306 V CA 1.570 63.379 62.300 -0.819 0.000 1.122 306 V CB -0.168 31.253 31.823 -0.670 0.000 0.721 306 V HN 0.356 nan 8.190 nan 0.000 0.483 307 A N -0.268 122.523 122.820 -0.048 0.000 2.307 307 A HA 0.120 4.439 4.320 -0.000 0.000 0.218 307 A C 1.072 178.768 177.584 0.186 0.000 1.228 307 A CA -0.034 52.095 52.037 0.154 0.000 0.857 307 A CB -0.400 18.825 19.000 0.376 0.000 0.897 307 A HN 0.492 nan 8.150 nan 0.000 0.495 308 N N 1.134 119.946 118.700 0.187 0.000 2.499 308 N HA 0.001 4.740 4.740 -0.000 0.000 0.281 308 N C -0.129 175.536 175.510 0.259 0.000 1.098 308 N CA 0.193 53.429 53.050 0.310 0.000 0.979 308 N CB 0.956 39.687 38.487 0.408 0.000 1.121 308 N HN 0.397 nan 8.380 nan 0.000 0.466 309 D N 2.639 123.149 120.400 0.183 0.000 2.363 309 D HA -0.107 4.533 4.640 -0.000 0.000 0.220 309 D C 0.883 177.106 176.300 -0.129 0.000 0.994 309 D CA 0.580 54.569 54.000 -0.018 0.000 0.890 309 D CB -0.245 40.464 40.800 -0.151 0.000 0.906 309 D HN 0.413 nan 8.370 nan 0.000 0.530 310 F N 0.080 120.133 119.950 0.170 0.000 2.776 310 F HA 0.148 4.675 4.527 -0.000 0.000 0.300 310 F C 0.814 176.683 175.800 0.115 0.000 1.116 310 F CA -0.734 57.328 58.000 0.103 0.000 1.375 310 F CB -0.568 38.477 39.000 0.076 0.000 1.109 310 F HN -0.144 nan 8.300 nan 0.000 0.585 311 Y N 2.102 122.524 120.300 0.204 0.000 2.717 311 Y HA 0.218 4.768 4.550 -0.000 0.000 0.330 311 Y C -0.145 175.828 175.900 0.122 0.000 1.217 311 Y CA -0.298 57.892 58.100 0.150 0.000 1.506 311 Y CB 0.129 38.641 38.460 0.086 0.000 1.268 311 Y HN -0.093 nan 8.280 nan 0.000 0.561 312 I N 9.150 129.402 120.570 -0.530 0.000 2.410 312 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 312 I C -2.296 173.439 176.117 -0.637 0.000 1.009 312 I CA -2.421 58.648 61.300 -0.386 0.000 1.111 312 I CB 1.484 39.390 38.000 -0.157 0.000 1.262 312 I HN 0.539 nan 8.210 nan 0.000 0.443 313 P HA 0.009 nan 4.420 nan 0.000 0.261 313 P C -2.069 175.183 177.300 -0.079 0.000 1.173 313 P CA -0.700 62.326 63.100 -0.122 0.000 0.760 313 P CB 0.013 31.739 31.700 0.042 0.000 0.783 314 P HA -0.129 nan 4.420 nan 0.000 0.225 314 P C 1.341 178.653 177.300 0.020 0.000 1.148 314 P CA 1.458 64.567 63.100 0.015 0.000 0.779 314 P CB -0.273 31.463 31.700 0.061 0.000 0.780 315 E N 0.089 120.304 120.200 0.026 0.000 2.208 315 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 315 E C 1.161 177.771 176.600 0.017 0.000 0.988 315 E CA 0.677 57.091 56.400 0.022 0.000 0.828 315 E CB -0.892 28.824 29.700 0.026 0.000 0.763 315 E HN 0.424 nan 8.360 nan 0.000 0.478 316 Q N 0.363 120.170 119.800 0.012 0.000 2.382 316 Q HA 0.287 4.627 4.340 -0.000 0.000 0.229 316 Q C -2.124 173.891 176.000 0.024 0.000 1.006 316 Q CA -1.808 53.999 55.803 0.007 0.000 0.916 316 Q CB 0.643 29.376 28.738 -0.009 0.000 1.235 316 Q HN 0.280 nan 8.270 nan 0.000 0.512 317 P HA 0.005 nan 4.420 nan 0.000 0.271 317 P C -1.004 176.329 177.300 0.055 0.000 1.220 317 P CA 0.052 63.175 63.100 0.038 0.000 0.768 317 P CB 0.186 31.893 31.700 0.012 0.000 0.848 318 F N 3.028 122.944 119.950 -0.056 0.000 2.456 318 F HA 0.424 4.951 4.527 -0.000 0.000 0.358 318 F C 0.584 176.351 175.800 -0.055 0.000 1.095 318 F CA 0.399 58.357 58.000 -0.070 0.000 1.216 318 F CB 0.319 39.267 39.000 -0.086 0.000 1.125 318 F HN 0.386 nan 8.300 nan 0.000 0.549 322 G N 0.163 108.820 108.800 -0.237 0.000 2.848 322 G HA2 0.304 4.264 3.960 -0.000 0.000 0.208 322 G HA3 0.304 4.264 3.960 -0.000 0.000 0.208 322 G C 1.169 176.216 174.900 0.244 0.000 1.152 322 G CA 1.360 46.441 45.100 -0.031 0.000 0.789 322 G HN 1.093 nan 8.290 nan 0.000 0.531 323 A N 0.172 123.072 122.820 0.132 0.000 2.132 323 A HA 0.342 4.662 4.320 -0.000 0.000 0.213 323 A C 2.226 179.814 177.584 0.007 0.000 1.154 323 A CA 0.125 52.238 52.037 0.127 0.000 0.753 323 A CB -0.105 18.895 19.000 -0.000 0.000 0.826 323 A HN 0.330 nan 8.150 nan 0.000 0.469 324 L N 0.060 121.201 121.223 -0.138 0.000 1.989 324 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 324 L C -0.481 176.210 176.870 -0.299 0.000 1.071 324 L CA 1.673 56.294 54.840 -0.364 0.000 0.749 324 L CB -1.605 40.148 42.059 -0.510 0.000 0.890 324 L HN 0.232 nan 8.230 nan 0.000 0.431 325 P HA -0.193 nan 4.420 nan 0.000 0.219 325 P C 1.127 178.400 177.300 -0.044 0.000 1.146 325 P CA 1.582 64.756 63.100 0.122 0.000 0.808 325 P CB -0.071 31.725 31.700 0.161 0.000 0.779 326 Y N -1.100 119.136 120.300 -0.107 0.000 2.286 326 Y HA -0.044 4.505 4.550 -0.000 0.000 0.293 326 Y C 2.364 178.217 175.900 -0.078 0.000 1.124 326 Y CA 0.284 58.250 58.100 -0.224 0.000 1.178 326 Y CB -1.113 37.050 38.460 -0.496 0.000 1.010 326 Y HN -0.156 nan 8.280 nan 0.000 0.536 327 L N -0.596 120.622 121.223 -0.009 0.000 2.013 327 L HA -0.277 4.062 4.340 -0.000 0.000 0.212 327 L C 1.880 178.749 176.870 -0.002 0.000 1.073 327 L CA 1.960 56.749 54.840 -0.086 0.000 0.753 327 L CB -1.041 40.834 42.059 -0.306 0.000 0.890 327 L HN 0.185 nan 8.230 nan 0.000 0.432 328 Y N 0.037 120.409 120.300 0.121 0.000 2.200 328 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 328 Y C 2.741 178.742 175.900 0.168 0.000 1.137 328 Y CA 1.399 59.596 58.100 0.161 0.000 1.163 328 Y CB -0.896 37.670 38.460 0.177 0.000 0.988 328 Y HN 0.396 nan 8.280 nan 0.000 0.518 329 E N 0.249 120.603 120.200 0.257 0.000 2.077 329 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 329 E C 2.225 178.949 176.600 0.206 0.000 0.989 329 E CA 1.719 58.230 56.400 0.185 0.000 0.800 329 E CB -0.035 29.747 29.700 0.136 0.000 0.746 329 E HN 0.526 nan 8.360 nan 0.000 0.452 330 S N 0.493 116.351 115.700 0.263 0.000 2.423 330 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 330 S C 1.675 176.390 174.600 0.191 0.000 1.014 330 S CA 0.714 59.057 58.200 0.238 0.000 0.965 330 S CB -0.237 63.126 63.200 0.272 0.000 0.785 330 S HN 0.224 nan 8.310 nan 0.000 0.495 331 N N 1.637 120.478 118.700 0.235 0.000 2.142 331 N HA -0.004 4.736 4.740 -0.000 0.000 0.186 331 N C 1.674 177.325 175.510 0.234 0.000 1.023 331 N CA 1.179 54.406 53.050 0.295 0.000 0.852 331 N CB -0.582 38.142 38.487 0.393 0.000 0.998 331 N HN 0.343 nan 8.380 nan 0.000 0.424 332 L N 2.022 123.241 121.223 -0.007 0.000 2.012 332 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 332 L C 2.448 179.263 176.870 -0.092 0.000 1.073 332 L CA 1.590 56.128 54.840 -0.503 0.000 0.748 332 L CB -0.515 41.276 42.059 -0.446 0.000 0.891 332 L HN 0.043 nan 8.230 nan 0.000 0.431 333 R N -0.818 119.702 120.500 0.034 0.000 2.091 333 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 333 R C 2.570 178.893 176.300 0.038 0.000 1.136 333 R CA 1.767 57.919 56.100 0.086 0.000 0.959 333 R CB -0.252 30.127 30.300 0.131 0.000 0.856 333 R HN 0.336 nan 8.270 nan 0.000 0.437 334 R N -0.644 119.891 120.500 0.059 0.000 2.096 334 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 334 R C 2.098 178.428 176.300 0.051 0.000 1.127 334 R CA 1.774 57.887 56.100 0.021 0.000 0.968 334 R CB -0.352 30.003 30.300 0.092 0.000 0.861 334 R HN 0.239 nan 8.270 nan 0.000 0.440 335 F N 0.278 120.237 119.950 0.015 0.000 2.134 335 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 335 F C 2.027 177.890 175.800 0.104 0.000 1.097 335 F CA 1.365 59.444 58.000 0.131 0.000 1.264 335 F CB -0.390 38.718 39.000 0.180 0.000 1.001 335 F HN 0.040 nan 8.300 nan 0.000 0.479 336 C N 0.248 119.572 119.300 0.040 0.000 2.432 336 C HA -0.100 4.360 4.460 -0.000 0.000 0.282 336 C C 2.692 177.575 174.990 -0.178 0.000 1.388 336 C CA 1.123 60.115 59.018 -0.043 0.000 1.777 336 C CB -1.266 26.524 27.740 0.084 0.000 1.882 336 C HN 0.617 nan 8.230 nan 0.000 0.520 337 E N 1.295 121.263 120.200 -0.388 0.000 2.051 337 E HA -0.180 4.169 4.350 -0.000 0.000 0.189 337 E C 2.260 178.571 176.600 -0.482 0.000 0.979 337 E CA 0.739 56.675 56.400 -0.773 0.000 0.803 337 E CB -0.162 28.859 29.700 -1.131 0.000 0.761 337 E HN 0.557 nan 8.360 nan 0.000 0.451 338 K N -0.187 119.944 120.400 -0.447 0.000 2.044 338 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 338 K C 0.605 176.760 176.600 -0.742 0.000 1.049 338 K CA 1.376 57.307 56.287 -0.594 0.000 0.927 338 K CB -0.140 31.942 32.500 -0.696 0.000 0.713 338 K HN 0.091 nan 8.250 nan 0.000 0.443 339 F N 1.250 120.997 119.950 -0.338 0.000 2.916 339 F HA 0.213 4.740 4.527 -0.000 0.000 0.294 339 F C 1.461 177.149 175.800 -0.188 0.000 1.189 339 F CA -0.350 57.472 58.000 -0.297 0.000 1.369 339 F CB 0.186 38.901 39.000 -0.474 0.000 0.961 339 F HN 0.169 nan 8.300 nan 0.000 0.508 340 E N 0.163 120.326 120.200 -0.060 0.000 2.085 340 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 340 E C 1.701 178.340 176.600 0.064 0.000 0.994 340 E CA 1.913 58.322 56.400 0.014 0.000 0.801 340 E CB 0.214 29.923 29.700 0.015 0.000 0.743 340 E HN 0.331 nan 8.360 nan 0.000 0.453 341 T N 0.656 115.239 114.554 0.048 0.000 2.746 341 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 341 T C 1.783 176.520 174.700 0.062 0.000 1.039 341 T CA 1.594 63.728 62.100 0.056 0.000 1.142 341 T CB -0.164 68.729 68.868 0.042 0.000 0.866 341 T HN 0.185 nan 8.240 nan 0.000 0.444 342 Q N 0.175 120.021 119.800 0.076 0.000 2.123 342 Q HA 0.090 4.430 4.340 -0.000 0.000 0.199 342 Q C 2.353 178.380 176.000 0.044 0.000 0.966 342 Q CA 0.821 56.658 55.803 0.058 0.000 0.845 342 Q CB -0.266 28.509 28.738 0.061 0.000 0.907 342 Q HN 0.394 nan 8.270 nan 0.000 0.439 343 I N 0.923 121.526 120.570 0.055 0.000 2.163 343 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 343 I C 2.470 178.626 176.117 0.065 0.000 1.085 343 I CA 2.108 63.444 61.300 0.059 0.000 1.347 343 I CB -1.594 36.448 38.000 0.069 0.000 1.044 343 I HN 0.428 nan 8.210 nan 0.000 0.408 344 E N 1.007 121.253 120.200 0.078 0.000 2.110 344 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 344 E C 2.183 178.811 176.600 0.047 0.000 0.988 344 E CA 1.646 58.091 56.400 0.074 0.000 0.804 344 E CB -0.879 28.871 29.700 0.084 0.000 0.745 344 E HN 0.683 nan 8.360 nan 0.000 0.458 345 S N -1.981 113.743 115.700 0.040 0.000 2.558 345 S HA 0.385 4.855 4.470 -0.000 0.000 0.217 345 S C 2.040 176.652 174.600 0.020 0.000 0.975 345 S CA 1.072 59.288 58.200 0.027 0.000 0.912 345 S CB 0.190 63.405 63.200 0.025 0.000 0.776 345 S HN 1.687 nan 8.310 nan 0.000 0.526 346 G N 1.165 109.979 108.800 0.023 0.000 2.159 346 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.256 346 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.256 346 G C 0.636 175.541 174.900 0.008 0.000 0.977 346 G CA 0.520 45.629 45.100 0.016 0.000 0.652 346 G HN 0.555 nan 8.290 nan 0.000 0.531 347 Q N -1.096 118.709 119.800 0.007 0.000 2.119 347 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 347 Q C 1.139 177.130 176.000 -0.014 0.000 0.972 347 Q CA 1.157 56.958 55.803 -0.005 0.000 0.847 347 Q CB -0.004 28.731 28.738 -0.004 0.000 0.903 347 Q HN 0.742 nan 8.270 nan 0.000 0.433 348 L N 0.914 122.134 121.223 -0.006 0.000 2.313 348 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 348 L C -1.391 175.499 176.870 0.033 0.000 1.013 348 L CA -0.523 54.318 54.840 0.001 0.000 0.816 348 L CB 1.932 43.976 42.059 -0.025 0.000 1.236 348 L HN -0.229 nan 8.230 nan 0.000 0.419 349 V N 6.053 125.993 119.914 0.043 0.000 2.384 349 V HA 0.529 4.649 4.120 -0.000 0.000 0.287 349 V C -0.468 175.676 176.094 0.083 0.000 1.020 349 V CA -0.591 61.737 62.300 0.048 0.000 0.850 349 V CB 1.813 33.649 31.823 0.022 0.000 0.987 349 V HN 0.553 nan 8.190 nan 0.000 0.436 350 V N 6.463 126.430 119.914 0.089 0.000 2.409 350 V HA 0.554 4.674 4.120 -0.000 0.000 0.291 350 V C -0.011 176.125 176.094 0.069 0.000 1.020 350 V CA -0.692 61.672 62.300 0.106 0.000 0.848 350 V CB 1.837 33.736 31.823 0.127 0.000 0.990 350 V HN 0.803 nan 8.190 nan 0.000 0.430 351 R N 4.396 124.935 120.500 0.066 0.000 2.562 351 R HA 0.717 5.057 4.340 -0.000 0.000 0.298 351 R C -1.322 174.998 176.300 0.034 0.000 0.961 351 R CA -0.676 55.454 56.100 0.050 0.000 0.881 351 R CB 2.046 32.384 30.300 0.063 0.000 1.159 351 R HN 0.579 nan 8.270 nan 0.000 0.450 352 L N 2.625 123.860 121.223 0.019 0.000 2.313 352 L HA 0.406 4.746 4.340 -0.000 0.000 0.283 352 L C -0.787 176.098 176.870 0.024 0.000 1.013 352 L CA -0.668 54.169 54.840 -0.005 0.000 0.816 352 L CB 1.262 43.311 42.059 -0.017 0.000 1.236 352 L HN 0.560 nan 8.230 nan 0.000 0.419 353 W N 5.423 126.589 121.300 -0.223 0.000 2.365 353 W HA 0.577 5.237 4.660 -0.000 0.000 0.316 353 W C -0.169 176.280 176.519 -0.116 0.000 1.164 353 W CA -0.372 56.882 57.345 -0.151 0.000 1.204 353 W CB 0.973 30.272 29.460 -0.268 0.000 1.213 353 W HN 0.398 nan 8.180 nan 0.000 0.539 354 R N 4.665 124.818 120.500 -0.580 0.000 2.536 354 R HA 0.176 4.516 4.340 -0.000 0.000 0.269 354 R C -2.231 173.488 176.300 -0.968 0.000 1.113 354 R CA -0.535 55.214 56.100 -0.585 0.000 0.948 354 R CB 1.415 31.545 30.300 -0.283 0.000 1.237 354 R HN 0.453 nan 8.270 nan 0.000 0.441 355 D N 3.395 123.225 120.400 -0.950 0.000 2.472 355 D HA 0.329 4.969 4.640 -0.000 0.000 0.248 355 D C 0.529 176.576 176.300 -0.422 0.000 1.271 355 D CA 0.969 54.476 54.000 -0.821 0.000 0.888 355 D CB 0.954 41.005 40.800 -1.248 0.000 1.337 355 D HN 0.856 nan 8.370 nan 0.000 0.526 356 G N 3.297 111.933 108.800 -0.273 0.000 2.591 356 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.298 356 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.298 356 G C 0.477 175.301 174.900 -0.126 0.000 1.195 356 G CA 0.480 45.487 45.100 -0.154 0.000 0.989 356 G HN 0.506 nan 8.290 nan 0.000 0.551 357 D N 2.089 122.437 120.400 -0.087 0.000 2.340 357 D HA 0.104 4.744 4.640 -0.000 0.000 0.217 357 D C 0.697 176.952 176.300 -0.075 0.000 1.081 357 D CA -0.162 53.809 54.000 -0.048 0.000 0.842 357 D CB -0.139 40.659 40.800 -0.004 0.000 0.934 357 D HN 0.317 nan 8.370 nan 0.000 0.511 358 N N 1.608 120.213 118.700 -0.158 0.000 2.482 358 N HA 0.077 4.816 4.740 -0.000 0.000 0.260 358 N C 0.716 176.226 175.510 -0.001 0.000 1.236 358 N CA 0.513 53.401 53.050 -0.269 0.000 0.938 358 N CB 1.117 39.155 38.487 -0.748 0.000 1.128 358 N HN 0.094 nan 8.380 nan 0.000 0.448 359 T N -2.074 112.437 114.554 -0.072 0.000 2.950 359 T HA 0.419 4.769 4.350 -0.000 0.000 0.288 359 T C -0.854 173.826 174.700 -0.032 0.000 1.035 359 T CA -0.724 61.407 62.100 0.052 0.000 1.028 359 T CB 1.296 70.160 68.868 -0.006 0.000 1.109 359 T HN 0.426 nan 8.240 nan 0.000 0.514 360 Y N 0.873 121.083 120.300 -0.151 0.000 2.328 360 Y HA 0.439 4.989 4.550 -0.000 0.000 0.336 360 Y C 0.139 175.951 175.900 -0.146 0.000 0.960 360 Y CA -0.737 57.160 58.100 -0.338 0.000 1.134 360 Y CB 1.134 39.404 38.460 -0.316 0.000 1.166 360 Y HN 0.977 nan 8.280 nan 0.000 0.464 361 H N 7.600 126.294 119.070 -0.626 0.000 2.767 361 H HA 0.319 4.874 4.556 -0.000 0.000 0.235 361 H C -1.336 173.600 175.328 -0.655 0.000 1.256 361 H CA -0.167 55.587 56.048 -0.490 0.000 0.957 361 H CB 0.331 30.008 29.762 -0.142 0.000 2.117 361 H HN 0.619 nan 8.280 nan 0.000 0.602 362 L N 2.029 122.543 121.223 -1.182 0.000 2.350 362 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 362 L C -0.426 176.107 176.870 -0.562 0.000 1.099 362 L CA -0.300 54.018 54.840 -0.870 0.000 0.808 362 L CB 1.128 42.661 42.059 -0.875 0.000 1.149 362 L HN 0.147 nan 8.230 nan 0.000 0.442 363 K N 1.461 121.610 120.400 -0.420 0.000 2.422 363 K HA 0.892 5.212 4.320 -0.000 0.000 0.251 363 K C -0.453 176.016 176.600 -0.218 0.000 0.933 363 K CA -0.628 55.500 56.287 -0.264 0.000 0.798 363 K CB 2.366 34.695 32.500 -0.284 0.000 1.238 363 K HN 0.722 nan 8.250 nan 0.000 0.428 364 G N -0.093 108.613 108.800 -0.157 0.000 2.411 364 G HA2 0.475 4.435 3.960 -0.000 0.000 0.295 364 G HA3 0.475 4.435 3.960 -0.000 0.000 0.295 364 G C -1.928 172.823 174.900 -0.248 0.000 1.542 364 G CA -0.643 44.220 45.100 -0.396 0.000 0.814 364 G HN 0.334 nan 8.290 nan 0.000 0.557 365 V N 1.080 120.739 119.914 -0.426 0.000 2.686 365 V HA 0.704 4.824 4.120 -0.000 0.000 0.306 365 V C -1.015 174.968 176.094 -0.184 0.000 1.065 365 V CA -0.633 61.620 62.300 -0.079 0.000 0.894 365 V CB 2.050 33.912 31.823 0.065 0.000 1.004 365 V HN 0.727 nan 8.190 nan 0.000 0.424 366 W N 3.382 124.683 121.300 0.003 0.000 2.683 366 W HA 0.672 5.332 4.660 -0.000 0.000 0.329 366 W C -1.126 175.395 176.519 0.003 0.000 1.037 366 W CA -0.745 56.611 57.345 0.017 0.000 1.232 366 W CB 2.298 31.751 29.460 -0.011 0.000 1.390 366 W HN 0.276 nan 8.180 nan 0.000 0.465 367 V N 5.062 125.140 119.914 0.273 0.000 2.357 367 V HA 0.144 4.263 4.120 -0.000 0.000 0.284 367 V C 0.364 176.572 176.094 0.190 0.000 1.018 367 V CA -0.209 62.211 62.300 0.201 0.000 0.841 367 V CB 0.849 32.822 31.823 0.250 0.000 0.991 367 V HN 0.645 nan 8.190 nan 0.000 0.437 368 D N 4.316 124.782 120.400 0.110 0.000 3.417 368 D HA -0.253 4.387 4.640 -0.000 0.000 0.163 368 D C 0.586 176.926 176.300 0.066 0.000 1.070 368 D CA 1.996 56.036 54.000 0.067 0.000 1.047 368 D CB -0.310 40.528 40.800 0.063 0.000 0.514 368 D HN 0.911 nan 8.370 nan 0.000 0.532 369 D N -0.097 120.322 120.400 0.032 0.000 2.501 369 D HA 0.194 4.834 4.640 -0.000 0.000 0.226 369 D C 1.222 177.503 176.300 -0.032 0.000 1.198 369 D CA -0.068 53.938 54.000 0.010 0.000 0.830 369 D CB 0.176 40.964 40.800 -0.021 0.000 1.014 369 D HN 0.362 nan 8.370 nan 0.000 0.496 370 R N -0.924 119.556 120.500 -0.032 0.000 2.243 370 R HA 0.197 4.537 4.340 -0.000 0.000 0.193 370 R C -0.492 175.614 176.300 -0.323 0.000 0.933 370 R CA 0.253 56.225 56.100 -0.212 0.000 1.105 370 R CB 0.559 30.746 30.300 -0.189 0.000 1.169 370 R HN 0.023 nan 8.270 nan 0.000 0.599 371 Y N -0.194 120.187 120.300 0.135 0.000 2.462 371 Y HA 0.513 5.063 4.550 -0.000 0.000 0.346 371 Y C -0.848 175.099 175.900 0.078 0.000 0.976 371 Y CA -1.039 57.139 58.100 0.130 0.000 1.044 371 Y CB 1.993 40.525 38.460 0.120 0.000 1.230 371 Y HN -0.109 nan 8.280 nan 0.000 0.455 372 I N 3.929 124.609 120.570 0.183 0.000 2.503 372 I HA 0.237 4.407 4.170 -0.000 0.000 0.282 372 I C -1.461 174.588 176.117 -0.113 0.000 1.059 372 I CA -0.385 60.878 61.300 -0.061 0.000 1.081 372 I CB 1.600 39.608 38.000 0.014 0.000 1.210 372 I HN 0.348 nan 8.210 nan 0.000 0.450 373 L N 7.764 128.847 121.223 -0.234 0.000 2.257 373 L HA 0.569 4.909 4.340 -0.000 0.000 0.290 373 L C -0.884 175.798 176.870 -0.314 0.000 1.044 373 L CA -0.095 54.617 54.840 -0.213 0.000 0.810 373 L CB 0.639 42.608 42.059 -0.150 0.000 1.193 373 L HN 0.420 nan 8.230 nan 0.000 0.425 374 L N 5.178 126.223 121.223 -0.296 0.000 2.264 374 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 374 L C 0.250 176.969 176.870 -0.251 0.000 1.044 374 L CA -0.214 54.445 54.840 -0.301 0.000 0.807 374 L CB 1.258 43.073 42.059 -0.407 0.000 1.192 374 L HN 0.649 nan 8.230 nan 0.000 0.425 375 T N 1.028 115.555 114.554 -0.045 0.000 2.889 375 T HA 0.447 4.797 4.350 -0.000 0.000 0.315 375 T C 0.661 175.395 174.700 0.056 0.000 1.291 375 T CA -0.068 62.062 62.100 0.049 0.000 1.028 375 T CB 1.776 70.608 68.868 -0.059 0.000 1.235 375 T HN 0.680 nan 8.240 nan 0.000 0.491 376 G N 2.139 110.969 108.800 0.049 0.000 2.985 376 G HA2 0.088 4.048 3.960 -0.000 0.000 0.209 376 G HA3 0.088 4.048 3.960 -0.000 0.000 0.209 376 G C 0.591 175.408 174.900 -0.139 0.000 1.165 376 G CA -0.216 44.830 45.100 -0.090 0.000 0.776 376 G HN 0.644 nan 8.290 nan 0.000 0.541 377 N N 1.375 120.022 118.700 -0.087 0.000 2.452 377 N HA 0.015 4.754 4.740 -0.000 0.000 0.266 377 N C 0.509 175.976 175.510 -0.072 0.000 1.175 377 N CA -0.209 52.801 53.050 -0.067 0.000 0.945 377 N CB 0.487 38.964 38.487 -0.018 0.000 1.063 377 N HN -0.050 nan 8.380 nan 0.000 0.472 378 N N 3.649 122.295 118.700 -0.090 0.000 2.521 378 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 378 N C 0.211 175.707 175.510 -0.023 0.000 1.146 378 N CA 0.107 53.099 53.050 -0.096 0.000 0.893 378 N CB -0.184 38.274 38.487 -0.048 0.000 0.975 378 N HN 0.620 nan 8.380 nan 0.000 0.451 379 L N 0.574 121.861 121.223 0.106 0.000 3.597 379 L HA -0.285 4.055 4.340 -0.000 0.000 0.440 379 L C -0.375 176.466 176.870 -0.050 0.000 1.277 379 L CA 0.209 55.126 54.840 0.128 0.000 0.852 379 L CB -2.061 40.125 42.059 0.212 0.000 1.708 379 L HN 0.379 nan 8.230 nan 0.000 0.885 380 N N -2.586 116.118 118.700 0.007 0.000 2.509 380 N HA 0.583 5.323 4.740 -0.000 0.000 0.280 380 N C -2.265 173.258 175.510 0.021 0.000 1.306 380 N CA -2.355 50.657 53.050 -0.064 0.000 0.782 380 N CB 1.054 39.522 38.487 -0.033 0.000 1.493 380 N HN -0.336 nan 8.380 nan 0.000 0.498 381 P HA -0.061 nan 4.420 nan 0.000 0.218 381 P C 1.162 178.554 177.300 0.153 0.000 1.148 381 P CA 1.405 64.537 63.100 0.053 0.000 0.822 381 P CB 0.287 31.993 31.700 0.009 0.000 0.784 382 R N -0.331 120.247 120.500 0.129 0.000 2.094 382 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 382 R C 2.254 178.670 176.300 0.194 0.000 1.137 382 R CA 1.850 58.040 56.100 0.150 0.000 0.943 382 R CB -1.229 29.165 30.300 0.156 0.000 0.850 382 R HN 0.154 nan 8.270 nan 0.000 0.433 383 A N 0.186 123.143 122.820 0.228 0.000 1.978 383 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 383 A C 1.762 179.467 177.584 0.201 0.000 1.170 383 A CA 0.917 53.087 52.037 0.221 0.000 0.636 383 A CB -0.775 18.379 19.000 0.258 0.000 0.810 383 A HN 0.534 nan 8.150 nan 0.000 0.448 384 W N -1.401 119.886 121.300 -0.023 0.000 2.937 384 W HA 0.104 4.764 4.660 -0.000 0.000 0.245 384 W C 2.239 178.746 176.519 -0.021 0.000 1.306 384 W CA 0.886 58.208 57.345 -0.038 0.000 1.470 384 W CB 0.152 29.584 29.460 -0.045 0.000 1.132 384 W HN 0.459 nan 8.180 nan 0.000 0.675 385 R N -1.480 119.111 120.500 0.152 0.000 2.769 385 R HA 0.047 4.387 4.340 -0.000 0.000 0.191 385 R C 1.801 178.159 176.300 0.097 0.000 0.881 385 R CA 0.123 56.288 56.100 0.109 0.000 1.133 385 R CB -0.286 30.099 30.300 0.143 0.000 1.607 385 R HN 0.089 nan 8.270 nan 0.000 0.613 386 L N 0.465 121.762 121.223 0.124 0.000 2.362 386 L HA 0.294 4.634 4.340 -0.000 0.000 0.204 386 L C -0.029 176.923 176.870 0.137 0.000 1.060 386 L CA 0.125 55.054 54.840 0.148 0.000 0.827 386 L CB 0.034 42.190 42.059 0.161 0.000 1.027 386 L HN 0.020 nan 8.230 nan 0.000 0.474 387 D N 0.747 121.232 120.400 0.141 0.000 2.294 387 D HA 0.437 5.077 4.640 -0.000 0.000 0.250 387 D C -0.171 176.191 176.300 0.104 0.000 1.058 387 D CA -0.159 53.945 54.000 0.174 0.000 0.950 387 D CB 1.762 42.767 40.800 0.341 0.000 1.158 387 D HN 0.014 nan 8.370 nan 0.000 0.453 388 A N 1.534 124.440 122.820 0.144 0.000 2.289 388 A HA 0.440 4.759 4.320 -0.000 0.000 0.298 388 A C -0.014 177.656 177.584 0.142 0.000 1.208 388 A CA -0.460 51.641 52.037 0.107 0.000 0.845 388 A CB 0.550 19.717 19.000 0.277 0.000 1.125 388 A HN 0.359 nan 8.150 nan 0.000 0.517 389 E N 1.611 121.774 120.200 -0.062 0.000 2.336 389 E HA 0.451 4.801 4.350 -0.000 0.000 0.267 389 E C -1.003 175.599 176.600 0.003 0.000 0.906 389 E CA -0.831 55.566 56.400 -0.004 0.000 0.781 389 E CB 2.323 31.960 29.700 -0.105 0.000 1.261 389 E HN 0.822 nan 8.360 nan 0.000 0.436 390 N N -0.937 117.827 118.700 0.106 0.000 2.902 390 N HA 0.687 5.427 4.740 -0.000 0.000 0.268 390 N C -0.820 174.723 175.510 0.055 0.000 1.450 390 N CA -0.727 52.398 53.050 0.125 0.000 0.819 390 N CB 1.796 40.455 38.487 0.287 0.000 1.540 390 N HN 0.501 nan 8.380 nan 0.000 0.545 391 G N -0.766 107.994 108.800 -0.067 0.000 2.703 391 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 391 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 391 G C -1.790 172.870 174.900 -0.400 0.000 1.451 391 G CA -0.787 44.188 45.100 -0.209 0.000 0.869 391 G HN 0.445 nan 8.290 nan 0.000 0.516 392 L N 1.584 122.473 121.223 -0.557 0.000 2.276 392 L HA 0.432 4.771 4.340 -0.000 0.000 0.286 392 L C -0.452 176.248 176.870 -0.283 0.000 1.024 392 L CA -0.858 53.699 54.840 -0.471 0.000 0.826 392 L CB 1.624 43.329 42.059 -0.590 0.000 1.211 392 L HN 0.364 nan 8.230 nan 0.000 0.422 393 L N 5.629 126.749 121.223 -0.171 0.000 2.283 393 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 393 L C -0.183 176.797 176.870 0.183 0.000 1.073 393 L CA 0.248 55.090 54.840 0.004 0.000 0.822 393 L CB 0.465 42.545 42.059 0.036 0.000 1.186 393 L HN 0.378 nan 8.230 nan 0.000 0.436 394 I N 5.753 126.418 120.570 0.158 0.000 2.342 394 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 394 I C -0.922 175.361 176.117 0.277 0.000 1.010 394 I CA -0.479 60.938 61.300 0.196 0.000 1.308 394 I CB 0.680 38.735 38.000 0.090 0.000 1.400 394 I HN 0.517 nan 8.210 nan 0.000 0.488 395 Y N 6.199 126.491 120.300 -0.014 0.000 2.331 395 Y HA 0.330 4.880 4.550 -0.000 0.000 0.338 395 Y C -0.538 175.182 175.900 -0.300 0.000 0.976 395 Y CA -1.323 56.572 58.100 -0.342 0.000 1.137 395 Y CB 1.096 38.983 38.460 -0.956 0.000 1.172 395 Y HN 0.480 nan 8.280 nan 0.000 0.478 396 D N 8.690 128.760 120.400 -0.549 0.000 2.607 396 D HA 0.327 4.967 4.640 -0.000 0.000 0.318 396 D C -2.067 173.882 176.300 -0.584 0.000 1.212 396 D CA -2.237 51.489 54.000 -0.457 0.000 0.861 396 D CB 0.994 41.682 40.800 -0.187 0.000 1.064 396 D HN 0.312 nan 8.370 nan 0.000 0.500 397 P HA -0.130 nan 4.420 nan 0.000 0.218 397 P C 0.602 177.700 177.300 -0.338 0.000 1.149 397 P CA 0.938 63.631 63.100 -0.679 0.000 0.817 397 P CB 0.396 31.645 31.700 -0.752 0.000 0.785 398 Q N -0.867 118.766 119.800 -0.278 0.000 2.189 398 Q HA 0.149 4.489 4.340 -0.000 0.000 0.221 398 Q C -0.258 175.665 176.000 -0.129 0.000 0.848 398 Q CA -0.244 55.459 55.803 -0.166 0.000 1.007 398 Q CB 0.235 28.892 28.738 -0.134 0.000 1.116 398 Q HN 0.008 nan 8.270 nan 0.000 0.481 399 Q N -0.176 119.538 119.800 -0.143 0.000 2.461 399 Q HA -0.277 4.062 4.340 -0.000 0.000 0.273 399 Q C 0.549 176.511 176.000 -0.063 0.000 1.163 399 Q CA 0.835 56.582 55.803 -0.093 0.000 0.929 399 Q CB -1.800 26.896 28.738 -0.069 0.000 1.334 399 Q HN 0.498 nan 8.270 nan 0.000 0.499 400 Q N -0.587 119.170 119.800 -0.073 0.000 2.226 400 Q HA -0.062 4.277 4.340 -0.000 0.000 0.204 400 Q C 1.322 177.321 176.000 -0.001 0.000 0.975 400 Q CA 1.001 56.781 55.803 -0.039 0.000 0.866 400 Q CB 0.093 28.802 28.738 -0.049 0.000 0.915 400 Q HN 0.550 nan 8.270 nan 0.000 0.440 401 L N 0.246 121.476 121.223 0.013 0.000 2.607 401 L HA 0.027 4.367 4.340 -0.000 0.000 0.228 401 L C 1.612 178.519 176.870 0.061 0.000 1.123 401 L CA -0.169 54.718 54.840 0.078 0.000 0.890 401 L CB 0.142 42.286 42.059 0.141 0.000 1.103 401 L HN 0.276 nan 8.230 nan 0.000 0.468 402 L N 0.758 121.991 121.223 0.016 0.000 2.042 402 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 402 L C 2.568 179.431 176.870 -0.012 0.000 1.076 402 L CA 2.257 57.095 54.840 -0.003 0.000 0.749 402 L CB -0.518 41.529 42.059 -0.021 0.000 0.893 402 L HN 0.211 nan 8.230 nan 0.000 0.432 403 A N -1.352 121.469 122.820 0.002 0.000 1.873 403 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 403 A C 2.176 179.761 177.584 0.003 0.000 1.186 403 A CA 1.627 53.663 52.037 -0.001 0.000 0.616 403 A CB -0.538 18.468 19.000 0.011 0.000 0.823 403 A HN 0.611 nan 8.150 nan 0.000 0.442 404 Q N -0.473 119.354 119.800 0.046 0.000 2.084 404 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 404 Q C 2.099 178.010 176.000 -0.147 0.000 0.978 404 Q CA 1.634 57.479 55.803 0.070 0.000 0.844 404 Q CB -0.383 28.526 28.738 0.284 0.000 0.898 404 Q HN 0.458 nan 8.270 nan 0.000 0.426 405 V N 1.143 120.953 119.914 -0.174 0.000 2.332 405 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 405 V C 2.166 178.112 176.094 -0.246 0.000 1.055 405 V CA 2.047 64.165 62.300 -0.302 0.000 1.038 405 V CB -0.478 31.314 31.823 -0.051 0.000 0.651 405 V HN 0.411 nan 8.190 nan 0.000 0.450 406 E N 0.055 120.160 120.200 -0.159 0.000 2.107 406 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 406 E C 2.328 178.855 176.600 -0.121 0.000 0.982 406 E CA 1.224 57.534 56.400 -0.150 0.000 0.809 406 E CB -0.022 29.617 29.700 -0.101 0.000 0.756 406 E HN 0.593 nan 8.360 nan 0.000 0.459 407 K N 1.027 121.375 120.400 -0.087 0.000 2.032 407 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 407 K C 2.129 178.705 176.600 -0.040 0.000 1.048 407 K CA 1.756 58.018 56.287 -0.041 0.000 0.927 407 K CB -0.129 32.371 32.500 0.000 0.000 0.712 407 K HN 0.060 nan 8.250 nan 0.000 0.441 408 E N 0.395 120.534 120.200 -0.101 0.000 2.077 408 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 408 E C 2.065 178.630 176.600 -0.059 0.000 0.989 408 E CA 1.350 57.708 56.400 -0.069 0.000 0.800 408 E CB 0.073 29.641 29.700 -0.219 0.000 0.746 408 E HN 0.445 nan 8.360 nan 0.000 0.452 409 Q N -0.146 119.555 119.800 -0.164 0.000 2.119 409 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 409 Q C 1.968 177.907 176.000 -0.101 0.000 0.972 409 Q CA 1.051 56.720 55.803 -0.223 0.000 0.847 409 Q CB 0.050 28.531 28.738 -0.429 0.000 0.903 409 Q HN 0.231 nan 8.270 nan 0.000 0.433 410 N N 0.296 118.954 118.700 -0.070 0.000 2.188 410 N HA -0.160 4.579 4.740 -0.000 0.000 0.184 410 N C 1.663 177.191 175.510 0.029 0.000 1.018 410 N CA 0.931 53.965 53.050 -0.027 0.000 0.858 410 N CB -0.109 38.358 38.487 -0.033 0.000 0.989 410 N HN 0.160 nan 8.380 nan 0.000 0.426 411 Q N 1.196 121.035 119.800 0.065 0.000 2.050 411 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 411 Q C 1.996 178.148 176.000 0.254 0.000 0.980 411 Q CA 1.202 57.090 55.803 0.141 0.000 0.840 411 Q CB -0.470 28.379 28.738 0.185 0.000 0.898 411 Q HN 0.382 nan 8.270 nan 0.000 0.424 412 I N 0.007 120.739 120.570 0.271 0.000 2.194 412 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 412 I C 2.220 178.583 176.117 0.410 0.000 1.093 412 I CA 1.530 63.074 61.300 0.408 0.000 1.355 412 I CB -0.230 37.898 38.000 0.214 0.000 1.046 412 I HN 0.169 nan 8.210 nan 0.000 0.413 413 R N 0.202 120.823 120.500 0.203 0.000 2.280 413 R HA -0.099 4.240 4.340 -0.000 0.000 0.207 413 R C 2.162 178.522 176.300 0.101 0.000 1.043 413 R CA 0.383 56.572 56.100 0.149 0.000 1.006 413 R CB -0.099 30.227 30.300 0.044 0.000 0.885 413 R HN 0.438 nan 8.270 nan 0.000 0.467 414 Q N 0.107 119.943 119.800 0.059 0.000 2.061 414 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 414 Q C 1.038 176.889 176.000 -0.248 0.000 0.984 414 Q CA 1.453 57.173 55.803 -0.137 0.000 0.846 414 Q CB -0.133 28.441 28.738 -0.273 0.000 0.902 414 Q HN 0.549 nan 8.270 nan 0.000 0.421 415 H N 0.390 119.437 119.070 -0.038 0.000 2.568 415 H HA 0.174 4.730 4.556 -0.000 0.000 0.302 415 H C 0.301 175.414 175.328 -0.358 0.000 1.065 415 H CA 0.326 56.164 56.048 -0.350 0.000 1.140 415 H CB -0.099 29.171 29.762 -0.819 0.000 1.474 415 H HN 0.189 nan 8.280 nan 0.000 0.545 416 T N -1.475 113.072 114.554 -0.012 0.000 2.945 416 T HA 0.616 4.966 4.350 -0.000 0.000 0.286 416 T C 0.001 174.696 174.700 -0.008 0.000 1.025 416 T CA -0.985 61.131 62.100 0.026 0.000 1.039 416 T CB 2.743 71.683 68.868 0.120 0.000 1.068 416 T HN 0.068 nan 8.240 nan 0.000 0.497 417 K N 1.050 121.446 120.400 -0.007 0.000 2.375 417 K HA 0.597 4.917 4.320 -0.000 0.000 0.249 417 K C -1.157 175.449 176.600 0.008 0.000 0.942 417 K CA -1.059 55.223 56.287 -0.007 0.000 0.806 417 K CB 2.721 35.209 32.500 -0.020 0.000 1.227 417 K HN 0.407 nan 8.250 nan 0.000 0.430 418 V N 3.296 123.216 119.914 0.010 0.000 2.455 418 V HA 0.051 4.171 4.120 -0.000 0.000 0.273 418 V C -0.018 176.090 176.094 0.023 0.000 1.045 418 V CA -0.508 61.804 62.300 0.020 0.000 0.976 418 V CB 0.655 32.487 31.823 0.016 0.000 0.993 418 V HN 0.526 nan 8.190 nan 0.000 0.475 419 L N 6.473 127.716 121.223 0.033 0.000 2.418 419 L HA 0.326 4.666 4.340 -0.000 0.000 0.274 419 L C 1.324 178.224 176.870 0.051 0.000 1.135 419 L CA 0.916 55.780 54.840 0.039 0.000 0.870 419 L CB 0.863 42.949 42.059 0.045 0.000 1.154 419 L HN 0.788 nan 8.230 nan 0.000 0.462 420 K N 4.409 124.842 120.400 0.055 0.000 2.314 420 K HA 0.082 4.402 4.320 -0.000 0.000 0.198 420 K C 0.676 177.362 176.600 0.144 0.000 1.045 420 K CA 1.269 57.600 56.287 0.074 0.000 0.988 420 K CB -0.288 32.241 32.500 0.048 0.000 0.783 420 K HN 0.821 nan 8.250 nan 0.000 0.484 421 H N -1.772 117.295 119.070 -0.005 0.000 3.112 421 H HA 0.140 4.696 4.556 -0.000 0.000 0.347 421 H C 0.239 175.547 175.328 -0.034 0.000 1.188 421 H CA -0.232 55.801 56.048 -0.024 0.000 1.240 421 H CB 1.354 31.052 29.762 -0.106 0.000 1.920 421 H HN 0.152 nan 8.280 nan 0.000 0.535 422 Y N 1.958 121.997 120.300 -0.435 0.000 2.384 422 Y HA -0.178 4.372 4.550 -0.000 0.000 0.289 422 Y C 1.936 177.778 175.900 -0.098 0.000 1.152 422 Y CA 1.579 59.542 58.100 -0.228 0.000 1.258 422 Y CB -0.825 37.487 38.460 -0.247 0.000 0.979 422 Y HN 0.444 nan 8.280 nan 0.000 0.549 423 T N -2.406 111.794 114.554 -0.592 0.000 3.072 423 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 423 T C 1.247 175.906 174.700 -0.067 0.000 1.127 423 T CA 1.008 62.940 62.100 -0.281 0.000 1.107 423 T CB -0.351 68.406 68.868 -0.184 0.000 0.910 423 T HN 0.608 nan 8.240 nan 0.000 0.513 424 E N 0.513 120.702 120.200 -0.020 0.000 2.347 424 E HA 0.125 4.475 4.350 -0.000 0.000 0.196 424 E C 0.180 176.792 176.600 0.020 0.000 1.008 424 E CA 0.213 56.618 56.400 0.007 0.000 0.852 424 E CB -0.109 29.603 29.700 0.021 0.000 0.783 424 E HN 0.562 nan 8.360 nan 0.000 0.505 425 L N 1.899 123.142 121.223 0.034 0.000 2.326 425 L HA 0.133 4.472 4.340 -0.000 0.000 0.278 425 L C 0.456 177.370 176.870 0.073 0.000 1.092 425 L CA -0.353 54.525 54.840 0.064 0.000 0.810 425 L CB 0.897 43.008 42.059 0.086 0.000 1.153 425 L HN -0.054 nan 8.230 nan 0.000 0.439 426 E N 1.944 122.210 120.200 0.110 0.000 2.452 426 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 426 E C 0.146 176.735 176.600 -0.018 0.000 0.987 426 E CA 0.127 56.587 56.400 0.100 0.000 0.926 426 E CB 0.579 30.434 29.700 0.259 0.000 0.934 426 E HN 0.663 nan 8.360 nan 0.000 0.452 427 E N 2.463 122.587 120.200 -0.125 0.000 2.314 427 E HA 0.083 4.433 4.350 -0.000 0.000 0.262 427 E C 0.614 176.856 176.600 -0.596 0.000 1.093 427 E CA -0.400 55.856 56.400 -0.239 0.000 0.908 427 E CB 0.585 30.218 29.700 -0.111 0.000 1.091 427 E HN 0.578 nan 8.360 nan 0.000 0.425 428 L N 1.548 122.407 121.223 -0.606 0.000 2.081 428 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 428 L C 2.460 179.091 176.870 -0.397 0.000 1.080 428 L CA 3.504 57.917 54.840 -0.711 0.000 0.754 428 L CB -0.802 41.105 42.059 -0.253 0.000 0.893 428 L HN 0.841 nan 8.230 nan 0.000 0.433 429 N N -1.199 117.367 118.700 -0.223 0.000 2.364 429 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 429 N C 1.817 177.286 175.510 -0.069 0.000 1.022 429 N CA 1.618 54.603 53.050 -0.107 0.000 0.883 429 N CB -0.976 37.469 38.487 -0.070 0.000 0.965 429 N HN 0.715 nan 8.380 nan 0.000 0.438 430 Q N -0.908 118.835 119.800 -0.094 0.000 2.403 430 Q HA 0.271 4.610 4.340 -0.000 0.000 0.203 430 Q C 0.188 176.305 176.000 0.196 0.000 0.932 430 Q CA -0.115 55.706 55.803 0.030 0.000 0.945 430 Q CB -0.467 28.294 28.738 0.039 0.000 1.045 430 Q HN 0.779 nan 8.270 nan 0.000 0.511 431 Y N 0.422 120.743 120.300 0.036 0.000 2.301 431 Y HA 0.391 4.941 4.550 -0.000 0.000 0.328 431 Y C -2.023 173.804 175.900 -0.121 0.000 1.242 431 Y CA -3.455 54.639 58.100 -0.009 0.000 1.323 431 Y CB 0.589 38.987 38.460 -0.103 0.000 1.266 431 Y HN 0.079 nan 8.280 nan 0.000 0.527 432 P HA 0.047 nan 4.420 nan 0.000 0.265 432 P C 0.794 177.952 177.300 -0.237 0.000 1.187 432 P CA 1.022 64.020 63.100 -0.171 0.000 0.766 432 P CB 0.490 32.010 31.700 -0.300 0.000 0.820 433 E N 5.530 125.619 120.200 -0.185 0.000 2.130 433 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 433 E C -0.713 175.740 176.600 -0.246 0.000 0.998 433 E CA 1.873 58.173 56.400 -0.166 0.000 0.806 433 E CB -2.755 26.879 29.700 -0.110 0.000 0.738 433 E HN 0.539 nan 8.360 nan 0.000 0.459 434 P HA -0.014 nan 4.420 nan 0.000 0.222 434 P C 1.669 178.594 177.300 -0.625 0.000 1.153 434 P CA 0.892 63.693 63.100 -0.498 0.000 0.798 434 P CB 0.130 31.411 31.700 -0.699 0.000 0.796 435 V N 0.704 120.144 119.914 -0.790 0.000 2.307 435 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 435 V C 2.798 178.717 176.094 -0.291 0.000 1.045 435 V CA 1.807 63.734 62.300 -0.621 0.000 1.024 435 V CB -1.324 29.957 31.823 -0.904 0.000 0.651 435 V HN 0.125 nan 8.190 nan 0.000 0.449 436 Q N -0.130 119.551 119.800 -0.198 0.000 2.096 436 Q HA -0.300 4.040 4.340 -0.000 0.000 0.208 436 Q C 2.379 178.342 176.000 -0.061 0.000 0.993 436 Q CA 1.923 57.687 55.803 -0.066 0.000 0.862 436 Q CB -0.317 28.390 28.738 -0.053 0.000 0.915 436 Q HN 0.588 nan 8.270 nan 0.000 0.416 437 K N 0.170 120.515 120.400 -0.091 0.000 2.032 437 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 437 K C 2.114 178.710 176.600 -0.008 0.000 1.048 437 K CA 0.991 57.252 56.287 -0.043 0.000 0.927 437 K CB -0.235 32.233 32.500 -0.053 0.000 0.712 437 K HN 0.064 nan 8.250 nan 0.000 0.441 438 L N 1.547 122.741 121.223 -0.049 0.000 1.994 438 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 438 L C 2.023 178.875 176.870 -0.029 0.000 1.071 438 L CA 1.534 56.350 54.840 -0.039 0.000 0.745 438 L CB -0.533 41.452 42.059 -0.124 0.000 0.892 438 L HN 0.159 nan 8.230 nan 0.000 0.431 439 L N -1.068 120.120 121.223 -0.057 0.000 2.083 439 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 439 L C 2.545 179.468 176.870 0.088 0.000 1.083 439 L CA 1.312 56.153 54.840 0.001 0.000 0.752 439 L CB -0.486 41.592 42.059 0.032 0.000 0.899 439 L HN 0.225 nan 8.230 nan 0.000 0.433 440 K N 0.170 120.611 120.400 0.069 0.000 2.026 440 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 440 K C 2.164 178.827 176.600 0.106 0.000 1.048 440 K CA 1.442 57.773 56.287 0.072 0.000 0.929 440 K CB -0.012 32.512 32.500 0.041 0.000 0.713 440 K HN 0.141 nan 8.250 nan 0.000 0.439 441 K N -0.254 120.232 120.400 0.143 0.000 2.032 441 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 441 K C 1.988 178.711 176.600 0.205 0.000 1.048 441 K CA 1.724 58.113 56.287 0.170 0.000 0.927 441 K CB -0.196 32.437 32.500 0.222 0.000 0.712 441 K HN 0.069 nan 8.250 nan 0.000 0.441 442 F N 0.655 120.605 119.950 0.001 0.000 2.075 442 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 442 F C 2.534 178.336 175.800 0.004 0.000 1.113 442 F CA 0.852 58.851 58.000 -0.002 0.000 1.218 442 F CB -0.295 38.700 39.000 -0.009 0.000 0.984 442 F HN 0.085 nan 8.300 nan 0.000 0.472 443 A N 0.104 123.045 122.820 0.201 0.000 1.948 443 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 443 A C 2.145 179.768 177.584 0.065 0.000 1.177 443 A CA 1.945 54.050 52.037 0.113 0.000 0.636 443 A CB -0.893 18.165 19.000 0.097 0.000 0.815 443 A HN 0.365 nan 8.150 nan 0.000 0.449 444 R N 0.068 120.601 120.500 0.055 0.000 2.096 444 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 444 R C 1.445 177.748 176.300 0.005 0.000 1.127 444 R CA 1.845 57.961 56.100 0.027 0.000 0.968 444 R CB -0.322 29.992 30.300 0.023 0.000 0.861 444 R HN 0.731 nan 8.270 nan 0.000 0.440 445 I N -2.562 117.998 120.570 -0.016 0.000 3.877 445 I HA 0.247 4.417 4.170 -0.000 0.000 0.332 445 I C -0.594 175.497 176.117 -0.044 0.000 1.525 445 I CA -0.509 60.767 61.300 -0.041 0.000 1.146 445 I CB 0.872 38.825 38.000 -0.078 0.000 1.137 445 I HN -0.080 nan 8.210 nan 0.000 0.424 446 K N 0.529 120.923 120.400 -0.010 0.000 3.130 446 K HA -0.264 4.056 4.320 -0.000 0.000 0.282 446 K C 1.202 177.795 176.600 -0.011 0.000 1.145 446 K CA 0.958 57.250 56.287 0.008 0.000 0.831 446 K CB -2.071 30.435 32.500 0.009 0.000 1.226 446 K HN 0.703 nan 8.250 nan 0.000 0.478 447 A N 1.495 124.271 122.820 -0.073 0.000 2.121 447 A HA -0.177 4.142 4.320 -0.000 0.000 0.218 447 A C 1.993 179.617 177.584 0.066 0.000 1.154 447 A CA 1.645 53.599 52.037 -0.139 0.000 0.679 447 A CB -0.220 18.461 19.000 -0.532 0.000 0.795 447 A HN 0.580 nan 8.150 nan 0.000 0.458 448 D N 0.172 120.674 120.400 0.172 0.000 2.178 448 D HA -0.133 4.506 4.640 -0.000 0.000 0.202 448 D C 1.866 178.232 176.300 0.110 0.000 0.974 448 D CA 1.693 55.819 54.000 0.209 0.000 0.841 448 D CB -0.485 40.422 40.800 0.178 0.000 0.953 448 D HN 0.405 nan 8.370 nan 0.000 0.478 449 K N 0.981 121.426 120.400 0.076 0.000 2.063 449 K HA -0.081 4.238 4.320 -0.000 0.000 0.208 449 K C 2.328 178.952 176.600 0.041 0.000 1.048 449 K CA 1.363 57.682 56.287 0.053 0.000 0.928 449 K CB -1.364 31.160 32.500 0.040 0.000 0.713 449 K HN 0.193 nan 8.250 nan 0.000 0.442 450 L N 0.794 122.036 121.223 0.032 0.000 2.017 450 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 450 L C 2.525 179.410 176.870 0.024 0.000 1.073 450 L CA 1.613 56.463 54.840 0.016 0.000 0.745 450 L CB -0.381 41.674 42.059 -0.007 0.000 0.894 450 L HN 0.219 nan 8.230 nan 0.000 0.432 451 V N -0.511 119.438 119.914 0.058 0.000 2.287 451 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 451 V C 1.787 177.900 176.094 0.031 0.000 1.053 451 V CA 1.447 63.773 62.300 0.043 0.000 1.027 451 V CB -0.803 31.055 31.823 0.059 0.000 0.646 451 V HN 0.401 nan 8.190 nan 0.000 0.447 455 L N 0.000 121.218 121.223 -0.008 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 455 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502