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 2p7n_1_A DATA FIRST_RESID 47 DATA SEQUENCE PALAAARAKA DELGQAAREV RASVERQTAY ETRLAAQRSA AAFSGGEPPX DATA SEQUENCE ARREAPGAEL DEARNAQTVS ARLFEGNLKG VAQSGHAXSA EQKQALQSGL DATA SEQUENCE DDVFADAPPQ ARSAGAPXLY SANAAAGQGX ADSDLWDXIS DQIGKIKDNY DATA SEQUENCE LGVYENVVGQ YTDFYKAFSD ILSQXANWIX XXXXXXXXKL NVDALKAALE DATA SEQUENCE KLKKDFSLGD NLDNKKAVLF PAQSKDGGIQ GGSESDARKW AKEXGLPDAP DATA SEQUENCE PPGFSCVQKA ADGNWVVVVD XTPIDTXIRD VGALGSGTXL ELDNAKFQAW DATA SEQUENCE QSGFKAQEEN LKNTLQTLTQ KYSNANSLFD NLVKVLSSTI SSCLET 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 47 P HA 0.000 nan 4.420 nan 0.000 0.216 47 P C 0.000 177.288 177.300 -0.020 0.000 1.155 47 P CA 0.000 63.104 63.100 0.007 0.000 0.800 47 P CB 0.000 31.705 31.700 0.008 0.000 0.726 48 A N 0.208 123.003 122.820 -0.042 0.000 2.236 48 A HA 0.273 4.593 4.320 0.001 0.000 0.214 48 A C 1.880 179.408 177.584 -0.094 0.000 1.287 48 A CA 0.344 52.345 52.037 -0.061 0.000 0.909 48 A CB -1.281 17.677 19.000 -0.070 0.000 0.839 48 A HN 0.303 nan 8.150 nan 0.000 0.486 49 L N -1.442 119.727 121.223 -0.089 0.000 2.156 49 L HA -0.164 4.177 4.340 0.001 0.000 0.208 49 L C 2.997 179.827 176.870 -0.068 0.000 1.095 49 L CA 1.069 55.838 54.840 -0.118 0.000 0.770 49 L CB -0.507 41.496 42.059 -0.093 0.000 0.914 49 L HN 0.492 nan 8.230 nan 0.000 0.439 50 A N 0.309 123.107 122.820 -0.037 0.000 1.902 50 A HA -0.156 4.165 4.320 0.001 0.000 0.217 50 A C 2.524 180.103 177.584 -0.009 0.000 1.181 50 A CA 1.663 53.691 52.037 -0.015 0.000 0.623 50 A CB -0.609 18.387 19.000 -0.007 0.000 0.818 50 A HN 0.383 nan 8.150 nan 0.000 0.443 51 A N -0.472 122.336 122.820 -0.020 0.000 2.019 51 A HA 0.221 4.542 4.320 0.001 0.000 0.219 51 A C 2.366 179.955 177.584 0.009 0.000 1.164 51 A CA 1.900 53.932 52.037 -0.008 0.000 0.644 51 A CB -0.673 18.314 19.000 -0.023 0.000 0.805 51 A HN 0.953 nan 8.150 nan 0.000 0.449 52 A N -0.432 122.377 122.820 -0.018 0.000 1.903 52 A HA 0.015 4.336 4.320 0.001 0.000 0.213 52 A C 2.187 179.860 177.584 0.148 0.000 1.185 52 A CA 1.245 53.295 52.037 0.021 0.000 0.628 52 A CB -0.382 18.530 19.000 -0.147 0.000 0.830 52 A HN 0.507 nan 8.150 nan 0.000 0.446 53 R N -0.195 120.342 120.500 0.062 0.000 2.115 53 R HA -0.028 4.313 4.340 0.001 0.000 0.230 53 R C 2.138 178.462 176.300 0.041 0.000 1.111 53 R CA 1.294 57.429 56.100 0.058 0.000 0.976 53 R CB -0.316 29.996 30.300 0.020 0.000 0.870 53 R HN 0.422 nan 8.270 nan 0.000 0.445 54 A N 1.188 124.031 122.820 0.039 0.000 1.841 54 A HA -0.131 4.190 4.320 0.001 0.000 0.214 54 A C 1.962 179.564 177.584 0.029 0.000 1.195 54 A CA 1.433 53.485 52.037 0.025 0.000 0.611 54 A CB -0.337 18.677 19.000 0.023 0.000 0.835 54 A HN 0.164 nan 8.150 nan 0.000 0.443 55 K N 0.268 120.712 120.400 0.074 0.000 2.103 55 K HA 0.018 4.338 4.320 0.001 0.000 0.207 55 K C 2.097 178.683 176.600 -0.024 0.000 1.048 55 K CA 1.309 57.647 56.287 0.085 0.000 0.930 55 K CB -0.790 31.828 32.500 0.197 0.000 0.716 55 K HN 0.444 nan 8.250 nan 0.000 0.444 56 A N 1.628 124.415 122.820 -0.055 0.000 1.903 56 A HA -0.264 4.057 4.320 0.001 0.000 0.219 56 A C 1.683 179.096 177.584 -0.284 0.000 1.191 56 A CA 2.331 54.117 52.037 -0.419 0.000 0.638 56 A CB -0.669 18.217 19.000 -0.190 0.000 0.823 56 A HN 0.309 nan 8.150 nan 0.000 0.451 57 D N -0.654 119.667 120.400 -0.132 0.000 2.117 57 D HA -0.105 4.535 4.640 0.001 0.000 0.198 57 D C 1.901 178.156 176.300 -0.076 0.000 0.982 57 D CA 1.343 55.287 54.000 -0.095 0.000 0.828 57 D CB -0.499 40.271 40.800 -0.051 0.000 0.967 57 D HN 0.662 nan 8.370 nan 0.000 0.464 58 E N 0.664 120.832 120.200 -0.053 0.000 2.085 58 E HA -0.149 4.201 4.350 0.001 0.000 0.194 58 E C 2.274 178.859 176.600 -0.026 0.000 0.994 58 E CA 0.365 56.751 56.400 -0.023 0.000 0.801 58 E CB -0.095 29.606 29.700 0.002 0.000 0.743 58 E HN 0.207 nan 8.360 nan 0.000 0.453 59 L N 0.285 121.469 121.223 -0.065 0.000 1.976 59 L HA -0.149 4.192 4.340 0.001 0.000 0.209 59 L C 2.459 179.313 176.870 -0.027 0.000 1.071 59 L CA 1.657 56.474 54.840 -0.038 0.000 0.746 59 L CB -0.797 41.170 42.059 -0.153 0.000 0.890 59 L HN 0.250 nan 8.230 nan 0.000 0.432 60 G N -1.106 107.630 108.800 -0.107 0.000 2.547 60 G HA2 -0.361 3.599 3.960 0.001 0.000 0.221 60 G HA3 -0.361 3.599 3.960 0.001 0.000 0.221 60 G C 1.413 176.298 174.900 -0.025 0.000 1.140 60 G CA 1.005 46.056 45.100 -0.082 0.000 0.760 60 G HN 0.486 nan 8.290 nan 0.000 0.583 61 Q N -0.170 119.618 119.800 -0.020 0.000 1.965 61 Q HA 0.039 4.380 4.340 0.001 0.000 0.200 61 Q C 3.161 179.172 176.000 0.019 0.000 0.981 61 Q CA 1.132 56.934 55.803 -0.002 0.000 0.834 61 Q CB -0.340 28.396 28.738 -0.004 0.000 0.900 61 Q HN 0.444 nan 8.270 nan 0.000 0.426 62 A N 1.163 123.999 122.820 0.027 0.000 1.927 62 A HA -0.290 4.031 4.320 0.001 0.000 0.220 62 A C 2.248 179.870 177.584 0.063 0.000 1.185 62 A CA 2.153 54.215 52.037 0.043 0.000 0.639 62 A CB -1.021 18.008 19.000 0.049 0.000 0.820 62 A HN 0.485 nan 8.150 nan 0.000 0.451 63 A N -0.805 122.067 122.820 0.087 0.000 1.858 63 A HA -0.161 4.160 4.320 0.001 0.000 0.216 63 A C 2.224 179.857 177.584 0.082 0.000 1.190 63 A CA 1.851 53.958 52.037 0.117 0.000 0.617 63 A CB -0.504 18.621 19.000 0.208 0.000 0.827 63 A HN 0.502 nan 8.150 nan 0.000 0.443 64 R N -0.776 119.754 120.500 0.050 0.000 2.105 64 R HA -0.144 4.197 4.340 0.001 0.000 0.239 64 R C 2.323 178.643 176.300 0.033 0.000 1.135 64 R CA 1.553 57.667 56.100 0.024 0.000 0.967 64 R CB -0.145 30.158 30.300 0.006 0.000 0.861 64 R HN 0.588 nan 8.270 nan 0.000 0.442 65 E N -0.011 120.212 120.200 0.038 0.000 2.028 65 E HA -0.126 4.225 4.350 0.001 0.000 0.191 65 E C 1.962 178.595 176.600 0.056 0.000 0.988 65 E CA 1.267 57.689 56.400 0.038 0.000 0.799 65 E CB -0.114 29.604 29.700 0.030 0.000 0.755 65 E HN 0.101 nan 8.360 nan 0.000 0.447 66 V N 2.110 122.067 119.914 0.072 0.000 2.252 66 V HA -0.315 3.806 4.120 0.001 0.000 0.249 66 V C 2.827 179.013 176.094 0.154 0.000 1.056 66 V CA 2.387 64.744 62.300 0.095 0.000 1.022 66 V CB -0.712 31.177 31.823 0.110 0.000 0.641 66 V HN 0.306 nan 8.190 nan 0.000 0.445 67 R N 0.403 121.013 120.500 0.184 0.000 2.122 67 R HA -0.277 4.064 4.340 0.001 0.000 0.236 67 R C 2.281 178.671 176.300 0.151 0.000 1.129 67 R CA 2.354 58.576 56.100 0.203 0.000 0.925 67 R CB -0.708 29.591 30.300 -0.002 0.000 0.850 67 R HN 0.479 nan 8.270 nan 0.000 0.431 68 A N -0.082 122.783 122.820 0.075 0.000 2.024 68 A HA -0.150 4.170 4.320 0.001 0.000 0.220 68 A C 2.245 179.865 177.584 0.060 0.000 1.164 68 A CA 1.966 54.035 52.037 0.053 0.000 0.643 68 A CB -0.472 18.547 19.000 0.032 0.000 0.806 68 A HN 0.505 nan 8.150 nan 0.000 0.451 69 S N -0.804 114.936 115.700 0.066 0.000 2.371 69 S HA -0.091 4.379 4.470 0.001 0.000 0.224 69 S C 1.905 176.533 174.600 0.047 0.000 1.029 69 S CA 1.394 59.622 58.200 0.046 0.000 0.978 69 S CB -0.291 62.930 63.200 0.035 0.000 0.833 69 S HN 0.398 nan 8.310 nan 0.000 0.466 70 V N 1.687 121.647 119.914 0.078 0.000 2.379 70 V HA -0.092 4.028 4.120 0.001 0.000 0.245 70 V C 2.159 178.300 176.094 0.079 0.000 1.044 70 V CA 1.403 63.736 62.300 0.054 0.000 1.036 70 V CB -0.634 31.205 31.823 0.026 0.000 0.664 70 V HN 0.449 nan 8.190 nan 0.000 0.453 71 E N -0.230 120.038 120.200 0.113 0.000 2.265 71 E HA -0.190 4.160 4.350 0.001 0.000 0.196 71 E C 2.440 179.072 176.600 0.053 0.000 0.996 71 E CA 0.873 57.320 56.400 0.077 0.000 0.832 71 E CB -0.035 29.702 29.700 0.061 0.000 0.756 71 E HN 0.497 nan 8.360 nan 0.000 0.491 72 R N 0.007 120.540 120.500 0.054 0.000 2.090 72 R HA -0.018 4.322 4.340 0.001 0.000 0.219 72 R C 2.385 178.730 176.300 0.075 0.000 1.100 72 R CA 0.637 56.772 56.100 0.059 0.000 0.991 72 R CB 0.024 30.353 30.300 0.049 0.000 0.893 72 R HN 0.091 nan 8.270 nan 0.000 0.443 73 Q N 0.053 119.882 119.800 0.048 0.000 2.020 73 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 73 Q C 1.541 177.586 176.000 0.076 0.000 0.982 73 Q CA 2.162 57.991 55.803 0.043 0.000 0.838 73 Q CB 0.008 28.747 28.738 0.002 0.000 0.899 73 Q HN 0.224 nan 8.270 nan 0.000 0.423 74 T N 0.890 115.465 114.554 0.035 0.000 2.597 74 T HA -0.268 4.082 4.350 0.001 0.000 0.267 74 T C 1.769 176.477 174.700 0.012 0.000 1.053 74 T CA 1.743 63.838 62.100 -0.008 0.000 1.165 74 T CB -0.604 68.251 68.868 -0.023 0.000 0.863 74 T HN 0.525 nan 8.240 nan 0.000 0.427 75 A N 0.452 123.296 122.820 0.040 0.000 1.892 75 A HA -0.172 4.149 4.320 0.001 0.000 0.218 75 A C 2.110 179.742 177.584 0.080 0.000 1.188 75 A CA 2.131 54.194 52.037 0.043 0.000 0.631 75 A CB -1.139 17.888 19.000 0.045 0.000 0.822 75 A HN 0.634 nan 8.150 nan 0.000 0.447 76 Y N 0.727 121.029 120.300 0.003 0.000 2.114 76 Y HA -0.197 4.353 4.550 0.001 0.000 0.284 76 Y C 2.395 178.315 175.900 0.034 0.000 1.143 76 Y CA 2.140 60.251 58.100 0.017 0.000 1.135 76 Y CB -0.295 38.176 38.460 0.018 0.000 0.980 76 Y HN 0.329 nan 8.280 nan 0.000 0.499 77 E N -0.134 120.309 120.200 0.405 0.000 2.049 77 E HA -0.213 4.137 4.350 0.001 0.000 0.198 77 E C 2.160 178.888 176.600 0.213 0.000 1.007 77 E CA 2.159 58.755 56.400 0.327 0.000 0.809 77 E CB -0.977 28.863 29.700 0.233 0.000 0.749 77 E HN 0.558 nan 8.360 nan 0.000 0.450 78 T N 1.470 116.079 114.554 0.092 0.000 2.653 78 T HA -0.206 4.144 4.350 0.001 0.000 0.268 78 T C 1.990 176.736 174.700 0.076 0.000 1.035 78 T CA 1.863 64.011 62.100 0.079 0.000 1.154 78 T CB -0.221 68.640 68.868 -0.012 0.000 0.862 78 T HN 0.193 nan 8.240 nan 0.000 0.441 79 R N 0.110 120.604 120.500 -0.009 0.000 2.090 79 R HA 0.134 4.474 4.340 0.001 0.000 0.228 79 R C 2.417 178.664 176.300 -0.088 0.000 1.110 79 R CA 0.604 56.665 56.100 -0.064 0.000 0.973 79 R CB -0.500 29.720 30.300 -0.132 0.000 0.869 79 R HN 0.218 nan 8.270 nan 0.000 0.440 80 L N 1.040 122.182 121.223 -0.135 0.000 2.046 80 L HA -0.086 4.254 4.340 0.001 0.000 0.208 80 L C 2.203 179.082 176.870 0.015 0.000 1.077 80 L CA 1.915 56.694 54.840 -0.101 0.000 0.747 80 L CB -0.730 41.318 42.059 -0.018 0.000 0.896 80 L HN 0.131 nan 8.230 nan 0.000 0.432 81 A N -0.219 122.664 122.820 0.104 0.000 1.865 81 A HA -0.176 4.145 4.320 0.001 0.000 0.217 81 A C 2.500 180.134 177.584 0.084 0.000 1.191 81 A CA 2.331 54.447 52.037 0.131 0.000 0.623 81 A CB -1.399 17.755 19.000 0.256 0.000 0.826 81 A HN 0.611 nan 8.150 nan 0.000 0.444 82 A N -0.645 122.221 122.820 0.078 0.000 1.873 82 A HA -0.268 4.053 4.320 0.001 0.000 0.218 82 A C 2.000 179.597 177.584 0.022 0.000 1.193 82 A CA 1.782 53.852 52.037 0.055 0.000 0.629 82 A CB -0.731 18.291 19.000 0.037 0.000 0.826 82 A HN 0.672 nan 8.150 nan 0.000 0.447 83 Q N -1.226 118.569 119.800 -0.008 0.000 2.515 83 Q HA 0.033 4.373 4.340 0.001 0.000 0.214 83 Q C 1.685 177.662 176.000 -0.039 0.000 0.971 83 Q CA 0.347 56.134 55.803 -0.026 0.000 0.952 83 Q CB 0.062 28.771 28.738 -0.048 0.000 0.999 83 Q HN 0.614 nan 8.270 nan 0.000 0.524 84 R N -1.161 119.315 120.500 -0.041 0.000 2.257 84 R HA 0.065 4.406 4.340 0.001 0.000 0.195 84 R C 2.340 178.561 176.300 -0.132 0.000 0.921 84 R CA 0.648 56.698 56.100 -0.082 0.000 1.069 84 R CB 0.160 30.413 30.300 -0.078 0.000 1.115 84 R HN 0.032 nan 8.270 nan 0.000 0.571 85 S N 1.093 116.739 115.700 -0.091 0.000 2.335 85 S HA -0.081 4.390 4.470 0.001 0.000 0.217 85 S C 2.140 176.633 174.600 -0.179 0.000 1.032 85 S CA 1.250 59.351 58.200 -0.164 0.000 0.985 85 S CB -0.167 63.064 63.200 0.052 0.000 0.896 85 S HN 0.335 nan 8.310 nan 0.000 0.445 86 A N 1.947 124.768 122.820 0.003 0.000 1.903 86 A HA -0.010 4.310 4.320 0.001 0.000 0.219 86 A C 2.542 180.138 177.584 0.020 0.000 1.191 86 A CA 2.442 54.523 52.037 0.073 0.000 0.638 86 A CB -1.662 17.372 19.000 0.057 0.000 0.823 86 A HN 0.969 nan 8.150 nan 0.000 0.451 87 A N -0.518 122.277 122.820 -0.041 0.000 1.933 87 A HA 0.145 4.466 4.320 0.001 0.000 0.218 87 A C 2.500 180.028 177.584 -0.095 0.000 1.175 87 A CA 2.212 54.217 52.037 -0.055 0.000 0.628 87 A CB -0.987 17.970 19.000 -0.071 0.000 0.814 87 A HN 1.143 nan 8.150 nan 0.000 0.444 88 A N -0.832 121.862 122.820 -0.209 0.000 1.858 88 A HA 0.060 4.380 4.320 0.001 0.000 0.216 88 A C 1.922 179.401 177.584 -0.174 0.000 1.190 88 A CA 1.664 53.520 52.037 -0.301 0.000 0.617 88 A CB -0.685 17.985 19.000 -0.550 0.000 0.827 88 A HN 0.448 nan 8.150 nan 0.000 0.443 89 F N 0.452 120.417 119.950 0.025 0.000 2.118 89 F HA 0.049 4.577 4.527 0.001 0.000 0.293 89 F C 1.980 177.847 175.800 0.111 0.000 1.102 89 F CA 1.040 59.106 58.000 0.110 0.000 1.247 89 F CB -0.902 38.149 39.000 0.085 0.000 1.017 89 F HN -0.031 nan 8.300 nan 0.000 0.475 90 S N 0.620 116.483 115.700 0.272 0.000 3.544 90 S HA 0.236 4.707 4.470 0.001 0.000 0.227 90 S C 1.700 176.356 174.600 0.092 0.000 1.387 90 S CA 0.377 58.676 58.200 0.165 0.000 1.182 90 S CB -1.174 62.102 63.200 0.126 0.000 1.243 90 S HN 0.623 nan 8.310 nan 0.000 0.467 91 G N 1.292 110.143 108.800 0.086 0.000 2.340 91 G HA2 -0.370 3.591 3.960 0.001 0.000 0.302 91 G HA3 -0.370 3.591 3.960 0.001 0.000 0.302 91 G C 0.892 175.800 174.900 0.013 0.000 1.027 91 G CA 0.935 46.058 45.100 0.038 0.000 0.695 91 G HN 0.682 nan 8.290 nan 0.000 0.541 92 G N 0.166 108.976 108.800 0.017 0.000 2.682 92 G HA2 0.392 4.353 3.960 0.001 0.000 0.221 92 G HA3 0.392 4.353 3.960 0.001 0.000 0.221 92 G C 0.689 175.589 174.900 -0.001 0.000 1.386 92 G CA 0.591 45.698 45.100 0.012 0.000 0.909 92 G HN 0.775 nan 8.290 nan 0.000 0.558 93 E N 0.942 121.139 120.200 -0.005 0.000 2.342 93 E HA 0.448 4.799 4.350 0.001 0.000 0.257 93 E C -2.683 173.900 176.600 -0.029 0.000 1.150 93 E CA -1.745 54.646 56.400 -0.015 0.000 0.926 93 E CB 1.108 30.799 29.700 -0.016 0.000 1.074 93 E HN 0.051 nan 8.360 nan 0.000 0.449 94 P HA 0.332 nan 4.420 nan 0.000 0.280 94 P C -2.451 174.812 177.300 -0.062 0.000 1.272 94 P CA -1.308 61.760 63.100 -0.054 0.000 0.819 94 P CB 0.193 31.864 31.700 -0.049 0.000 1.122 98 R N 0.910 121.466 120.500 0.094 0.000 2.370 98 R HA 0.449 4.789 4.340 0.001 0.000 0.309 98 R C -0.288 176.054 176.300 0.071 0.000 1.059 98 R CA 0.064 56.252 56.100 0.147 0.000 0.981 98 R CB 0.323 30.700 30.300 0.128 0.000 0.972 98 R HN 0.676 nan 8.270 nan 0.000 0.437 99 R N 3.644 124.196 120.500 0.088 0.000 2.502 99 R HA 0.178 4.518 4.340 0.001 0.000 0.300 99 R C -1.152 174.995 176.300 -0.255 0.000 0.984 99 R CA -0.528 55.551 56.100 -0.035 0.000 0.882 99 R CB 1.409 31.732 30.300 0.038 0.000 1.180 99 R HN 0.676 nan 8.270 nan 0.000 0.444 100 E N 1.980 122.014 120.200 -0.278 0.000 2.301 100 E HA 0.456 4.806 4.350 0.001 0.000 0.275 100 E C -0.661 175.827 176.600 -0.187 0.000 1.030 100 E CA -0.307 55.877 56.400 -0.360 0.000 0.852 100 E CB 1.750 31.297 29.700 -0.254 0.000 1.060 100 E HN 0.662 nan 8.360 nan 0.000 0.401 101 A N 3.491 126.215 122.820 -0.161 0.000 2.284 101 A HA 0.484 4.804 4.320 0.001 0.000 0.317 101 A C -2.014 175.540 177.584 -0.050 0.000 1.120 101 A CA -1.443 50.557 52.037 -0.061 0.000 0.900 101 A CB 0.060 19.056 19.000 -0.007 0.000 1.319 101 A HN 0.486 nan 8.150 nan 0.000 0.494 102 P HA -0.039 nan 4.420 nan 0.000 0.245 102 P C 0.656 177.951 177.300 -0.009 0.000 1.203 102 P CA 1.405 64.497 63.100 -0.013 0.000 0.754 102 P CB -0.305 31.393 31.700 -0.002 0.000 0.896 103 G N -0.197 108.593 108.800 -0.018 0.000 3.741 103 G HA2 0.370 4.330 3.960 0.001 0.000 0.263 103 G HA3 0.370 4.330 3.960 0.001 0.000 0.263 103 G C 0.038 174.915 174.900 -0.038 0.000 1.175 103 G CA -0.132 44.961 45.100 -0.011 0.000 1.642 103 G HN 0.310 nan 8.290 nan 0.000 0.644 104 A N 0.413 123.211 122.820 -0.036 0.000 2.394 104 A HA 0.549 4.869 4.320 0.001 0.000 0.333 104 A C 1.003 178.574 177.584 -0.022 0.000 1.397 104 A CA -0.488 51.524 52.037 -0.041 0.000 0.884 104 A CB 0.509 19.482 19.000 -0.045 0.000 1.147 104 A HN 0.476 nan 8.150 nan 0.000 0.505 105 E N 1.856 122.044 120.200 -0.020 0.000 2.068 105 E HA -0.279 4.072 4.350 0.001 0.000 0.207 105 E C 1.297 177.888 176.600 -0.015 0.000 1.032 105 E CA 1.908 58.298 56.400 -0.017 0.000 0.839 105 E CB -0.381 29.297 29.700 -0.037 0.000 0.758 105 E HN 0.797 nan 8.360 nan 0.000 0.457 106 L N 0.829 122.041 121.223 -0.018 0.000 2.083 106 L HA -0.203 4.138 4.340 0.001 0.000 0.209 106 L C 2.329 179.194 176.870 -0.008 0.000 1.083 106 L CA 1.151 55.982 54.840 -0.015 0.000 0.752 106 L CB -0.583 41.468 42.059 -0.013 0.000 0.899 106 L HN 0.180 nan 8.230 nan 0.000 0.433 107 D N 0.460 120.856 120.400 -0.008 0.000 2.157 107 D HA -0.238 4.403 4.640 0.001 0.000 0.197 107 D C 1.995 178.294 176.300 -0.001 0.000 0.995 107 D CA 1.699 55.696 54.000 -0.005 0.000 0.860 107 D CB 0.122 40.916 40.800 -0.009 0.000 1.016 107 D HN 0.182 nan 8.370 nan 0.000 0.452 108 E N -1.378 118.822 120.200 0.001 0.000 2.489 108 E HA 0.227 4.578 4.350 0.001 0.000 0.204 108 E C 1.468 178.074 176.600 0.010 0.000 1.006 108 E CA 0.195 56.599 56.400 0.005 0.000 0.936 108 E CB 0.697 30.400 29.700 0.005 0.000 1.002 108 E HN 0.260 nan 8.360 nan 0.000 0.488 109 A N 1.509 124.335 122.820 0.010 0.000 1.835 109 A HA -0.076 4.244 4.320 0.001 0.000 0.213 109 A C 2.008 179.604 177.584 0.021 0.000 1.210 109 A CA 0.839 52.886 52.037 0.017 0.000 0.605 109 A CB -0.347 18.664 19.000 0.019 0.000 0.860 109 A HN 0.040 nan 8.150 nan 0.000 0.447 110 R N 0.081 120.589 120.500 0.013 0.000 2.369 110 R HA 0.025 4.365 4.340 0.001 0.000 0.200 110 R C 1.104 177.413 176.300 0.015 0.000 1.046 110 R CA 0.967 57.074 56.100 0.012 0.000 1.057 110 R CB -0.461 29.838 30.300 -0.003 0.000 0.888 110 R HN 0.702 nan 8.270 nan 0.000 0.474 111 N N -1.079 117.632 118.700 0.017 0.000 2.545 111 N HA 0.039 4.780 4.740 0.001 0.000 0.190 111 N C 1.349 176.875 175.510 0.026 0.000 1.043 111 N CA 0.505 53.567 53.050 0.019 0.000 0.879 111 N CB 0.234 38.729 38.487 0.014 0.000 1.210 111 N HN 0.188 nan 8.380 nan 0.000 0.437 112 A N 1.169 124.006 122.820 0.028 0.000 2.015 112 A HA -0.171 4.149 4.320 0.001 0.000 0.219 112 A C 1.998 179.609 177.584 0.044 0.000 1.163 112 A CA 1.117 53.174 52.037 0.032 0.000 0.646 112 A CB -0.400 18.617 19.000 0.028 0.000 0.806 112 A HN 0.330 nan 8.150 nan 0.000 0.448 113 Q N -0.786 119.043 119.800 0.048 0.000 2.083 113 Q HA -0.127 4.214 4.340 0.001 0.000 0.198 113 Q C 1.887 177.928 176.000 0.069 0.000 0.969 113 Q CA 1.843 57.685 55.803 0.065 0.000 0.838 113 Q CB -0.141 28.632 28.738 0.058 0.000 0.900 113 Q HN 0.594 nan 8.270 nan 0.000 0.436 114 T N 0.225 114.809 114.554 0.049 0.000 2.857 114 T HA -0.068 4.282 4.350 0.001 0.000 0.266 114 T C 1.839 176.577 174.700 0.063 0.000 1.048 114 T CA 1.303 63.433 62.100 0.049 0.000 1.139 114 T CB -0.028 68.858 68.868 0.030 0.000 0.874 114 T HN 0.105 nan 8.240 nan 0.000 0.455 115 V N 2.225 122.173 119.914 0.057 0.000 2.488 115 V HA -0.100 4.021 4.120 0.001 0.000 0.246 115 V C 2.732 178.873 176.094 0.078 0.000 1.046 115 V CA 1.722 64.057 62.300 0.059 0.000 1.053 115 V CB -0.813 31.036 31.823 0.044 0.000 0.679 115 V HN 0.601 nan 8.190 nan 0.000 0.458 116 S N 1.032 116.782 115.700 0.083 0.000 2.461 116 S HA 0.032 4.502 4.470 0.001 0.000 0.228 116 S C 2.011 176.704 174.600 0.155 0.000 1.005 116 S CA 0.974 59.232 58.200 0.097 0.000 0.942 116 S CB -0.223 63.016 63.200 0.065 0.000 0.776 116 S HN 0.526 nan 8.310 nan 0.000 0.514 117 A N 2.440 125.361 122.820 0.169 0.000 1.898 117 A HA 0.110 4.430 4.320 0.001 0.000 0.214 117 A C 2.378 180.110 177.584 0.247 0.000 1.183 117 A CA 0.831 53.019 52.037 0.252 0.000 0.622 117 A CB -0.478 18.659 19.000 0.228 0.000 0.824 117 A HN 0.478 nan 8.150 nan 0.000 0.444 118 R N -0.313 120.283 120.500 0.160 0.000 2.082 118 R HA -0.105 4.235 4.340 0.001 0.000 0.234 118 R C 2.131 178.501 176.300 0.117 0.000 1.136 118 R CA 1.723 57.896 56.100 0.122 0.000 0.935 118 R CB -0.765 29.584 30.300 0.082 0.000 0.842 118 R HN 0.503 nan 8.270 nan 0.000 0.430 119 L N -0.225 121.066 121.223 0.114 0.000 1.978 119 L HA -0.268 4.072 4.340 0.001 0.000 0.218 119 L C 2.472 179.409 176.870 0.112 0.000 1.075 119 L CA 1.578 56.474 54.840 0.095 0.000 0.767 119 L CB -0.738 41.378 42.059 0.094 0.000 0.890 119 L HN 0.155 nan 8.230 nan 0.000 0.434 120 F N 1.127 121.093 119.950 0.028 0.000 2.087 120 F HA -0.285 4.242 4.527 0.001 0.000 0.299 120 F C 2.480 178.293 175.800 0.022 0.000 1.100 120 F CA 2.017 60.027 58.000 0.018 0.000 1.226 120 F CB -0.343 38.679 39.000 0.037 0.000 0.983 120 F HN 0.115 nan 8.300 nan 0.000 0.479 121 E N -0.368 119.835 120.200 0.005 0.000 2.153 121 E HA -0.159 4.192 4.350 0.001 0.000 0.194 121 E C 2.490 179.018 176.600 -0.120 0.000 0.988 121 E CA 0.928 57.279 56.400 -0.081 0.000 0.811 121 E CB -0.684 29.067 29.700 0.085 0.000 0.746 121 E HN 0.609 nan 8.360 nan 0.000 0.466 122 G N 1.438 110.197 108.800 -0.067 0.000 2.394 122 G HA2 -0.222 3.739 3.960 0.001 0.000 0.214 122 G HA3 -0.222 3.739 3.960 0.001 0.000 0.214 122 G C 1.419 176.248 174.900 -0.119 0.000 1.176 122 G CA 0.304 45.367 45.100 -0.063 0.000 0.786 122 G HN 0.117 nan 8.290 nan 0.000 0.533 123 N N 0.598 119.210 118.700 -0.148 0.000 2.137 123 N HA -0.080 4.661 4.740 0.001 0.000 0.190 123 N C 2.235 177.569 175.510 -0.293 0.000 1.017 123 N CA 0.854 53.792 53.050 -0.186 0.000 0.859 123 N CB -0.215 38.179 38.487 -0.155 0.000 1.002 123 N HN 0.266 nan 8.380 nan 0.000 0.428 124 L N 1.061 122.039 121.223 -0.410 0.000 2.201 124 L HA -0.100 4.240 4.340 0.001 0.000 0.212 124 L C 2.217 178.939 176.870 -0.246 0.000 1.105 124 L CA 0.938 55.517 54.840 -0.436 0.000 0.775 124 L CB -0.153 41.628 42.059 -0.464 0.000 0.913 124 L HN 0.093 nan 8.230 nan 0.000 0.440 125 K N -0.367 119.938 120.400 -0.158 0.000 2.288 125 K HA -0.045 4.276 4.320 0.001 0.000 0.201 125 K C 2.015 178.566 176.600 -0.083 0.000 1.048 125 K CA 0.824 57.067 56.287 -0.072 0.000 0.956 125 K CB -0.035 32.440 32.500 -0.042 0.000 0.746 125 K HN 0.358 nan 8.250 nan 0.000 0.461 126 G N 0.378 109.099 108.800 -0.132 0.000 2.411 126 G HA2 -0.143 3.818 3.960 0.001 0.000 0.213 126 G HA3 -0.143 3.818 3.960 0.001 0.000 0.213 126 G C 1.423 176.228 174.900 -0.158 0.000 1.166 126 G CA 0.196 45.226 45.100 -0.117 0.000 0.802 126 G HN 0.064 nan 8.290 nan 0.000 0.533 127 V N 1.769 121.504 119.914 -0.299 0.000 2.568 127 V HA -0.158 3.963 4.120 0.001 0.000 0.253 127 V C 3.218 179.128 176.094 -0.307 0.000 1.072 127 V CA 1.857 63.883 62.300 -0.456 0.000 1.084 127 V CB -0.778 30.454 31.823 -0.985 0.000 0.676 127 V HN 0.463 nan 8.190 nan 0.000 0.469 128 A N -0.662 122.076 122.820 -0.137 0.000 1.897 128 A HA -0.218 4.102 4.320 0.001 0.000 0.215 128 A C 2.155 179.794 177.584 0.092 0.000 1.181 128 A CA 1.544 53.655 52.037 0.122 0.000 0.620 128 A CB -0.454 18.631 19.000 0.142 0.000 0.821 128 A HN 0.485 nan 8.150 nan 0.000 0.443 129 Q N 0.902 120.717 119.800 0.026 0.000 2.226 129 Q HA -0.037 4.303 4.340 0.001 0.000 0.204 129 Q C 1.439 177.461 176.000 0.036 0.000 0.975 129 Q CA 1.023 56.843 55.803 0.028 0.000 0.866 129 Q CB -0.438 28.302 28.738 0.004 0.000 0.915 129 Q HN 0.781 nan 8.270 nan 0.000 0.440 130 S N -1.489 114.230 115.700 0.031 0.000 2.600 130 S HA 0.386 4.857 4.470 0.001 0.000 0.265 130 S C 0.890 175.547 174.600 0.095 0.000 1.325 130 S CA -0.342 57.887 58.200 0.050 0.000 1.002 130 S CB 1.282 64.506 63.200 0.041 0.000 0.921 130 S HN 0.263 nan 8.310 nan 0.000 0.554 131 G N 0.377 109.229 108.800 0.087 0.000 3.782 131 G HA2 0.148 4.109 3.960 0.001 0.000 0.288 131 G HA3 0.148 4.109 3.960 0.001 0.000 0.288 131 G C 0.219 175.187 174.900 0.113 0.000 1.300 131 G CA -0.387 44.767 45.100 0.090 0.000 1.261 131 G HN 0.829 nan 8.290 nan 0.000 0.591 132 H N 0.908 120.033 119.070 0.091 0.000 2.732 132 H HA 0.595 5.151 4.556 0.001 0.000 0.351 132 H C -0.090 175.306 175.328 0.114 0.000 1.090 132 H CA 0.550 56.662 56.048 0.107 0.000 1.431 132 H CB 1.678 31.528 29.762 0.147 0.000 1.447 132 H HN 0.269 nan 8.280 nan 0.000 0.582 136 A N 0.661 123.485 122.820 0.007 0.000 2.172 136 A HA -0.008 4.312 4.320 0.001 0.000 0.216 136 A C 1.379 178.959 177.584 -0.008 0.000 1.154 136 A CA 1.511 53.543 52.037 -0.008 0.000 0.701 136 A CB -0.443 18.550 19.000 -0.012 0.000 0.789 136 A HN 0.717 nan 8.150 nan 0.000 0.465 137 E N -0.325 119.877 120.200 0.004 0.000 2.371 137 E HA -0.055 4.296 4.350 0.001 0.000 0.194 137 E C 2.045 178.650 176.600 0.007 0.000 1.012 137 E CA 0.815 57.218 56.400 0.005 0.000 0.860 137 E CB -0.071 29.635 29.700 0.010 0.000 0.811 137 E HN 0.766 nan 8.360 nan 0.000 0.502 138 Q N 0.217 120.026 119.800 0.014 0.000 2.107 138 Q HA 0.032 4.372 4.340 0.001 0.000 0.195 138 Q C 1.797 177.789 176.000 -0.013 0.000 0.964 138 Q CA 0.755 56.569 55.803 0.017 0.000 0.833 138 Q CB -0.028 28.738 28.738 0.047 0.000 0.910 138 Q HN 0.082 nan 8.270 nan 0.000 0.465 139 K N 0.992 121.371 120.400 -0.036 0.000 2.127 139 K HA -0.247 4.073 4.320 0.001 0.000 0.208 139 K C 2.065 178.632 176.600 -0.056 0.000 1.047 139 K CA 1.498 57.740 56.287 -0.075 0.000 0.927 139 K CB -0.062 32.385 32.500 -0.088 0.000 0.716 139 K HN 0.176 nan 8.250 nan 0.000 0.450 140 Q N -0.350 119.429 119.800 -0.035 0.000 2.224 140 Q HA -0.078 4.262 4.340 0.001 0.000 0.203 140 Q C 1.997 177.986 176.000 -0.017 0.000 0.970 140 Q CA 1.295 57.083 55.803 -0.026 0.000 0.865 140 Q CB 0.043 28.771 28.738 -0.018 0.000 0.922 140 Q HN 0.393 nan 8.270 nan 0.000 0.445 141 A N 0.302 123.115 122.820 -0.011 0.000 1.874 141 A HA -0.114 4.207 4.320 0.001 0.000 0.214 141 A C 1.923 179.506 177.584 -0.002 0.000 1.189 141 A CA 0.890 52.926 52.037 -0.002 0.000 0.615 141 A CB -0.581 18.424 19.000 0.008 0.000 0.830 141 A HN 0.400 nan 8.150 nan 0.000 0.443 142 L N 0.200 121.416 121.223 -0.011 0.000 2.079 142 L HA -0.204 4.137 4.340 0.001 0.000 0.210 142 L C 2.370 179.236 176.870 -0.007 0.000 1.081 142 L CA 2.793 57.627 54.840 -0.010 0.000 0.752 142 L CB -0.771 41.255 42.059 -0.055 0.000 0.896 142 L HN 0.615 nan 8.230 nan 0.000 0.433 143 Q N -0.791 118.997 119.800 -0.021 0.000 2.172 143 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 143 Q C 2.170 178.174 176.000 0.005 0.000 0.964 143 Q CA 1.655 57.450 55.803 -0.013 0.000 0.855 143 Q CB -0.105 28.613 28.738 -0.033 0.000 0.918 143 Q HN 0.771 nan 8.270 nan 0.000 0.444 144 S N -0.864 114.837 115.700 0.001 0.000 2.371 144 S HA -0.023 4.448 4.470 0.001 0.000 0.224 144 S C 2.018 176.622 174.600 0.008 0.000 1.029 144 S CA 0.884 59.086 58.200 0.004 0.000 0.978 144 S CB -0.680 62.519 63.200 -0.001 0.000 0.833 144 S HN 0.504 nan 8.310 nan 0.000 0.466 145 G N 1.895 110.699 108.800 0.007 0.000 2.408 145 G HA2 0.015 3.975 3.960 0.001 0.000 0.217 145 G HA3 0.015 3.975 3.960 0.001 0.000 0.217 145 G C 1.490 176.394 174.900 0.007 0.000 1.150 145 G CA 0.789 45.890 45.100 0.001 0.000 0.776 145 G HN 0.490 nan 8.290 nan 0.000 0.542 146 L N 0.423 121.674 121.223 0.048 0.000 2.093 146 L HA -0.052 4.288 4.340 0.001 0.000 0.208 146 L C 2.508 179.468 176.870 0.151 0.000 1.085 146 L CA 1.030 55.945 54.840 0.125 0.000 0.755 146 L CB -0.401 41.759 42.059 0.168 0.000 0.904 146 L HN 0.131 nan 8.230 nan 0.000 0.435 147 D N 0.353 120.808 120.400 0.092 0.000 2.077 147 D HA -0.205 4.435 4.640 0.001 0.000 0.193 147 D C 1.743 178.074 176.300 0.050 0.000 0.989 147 D CA 1.396 55.447 54.000 0.085 0.000 0.831 147 D CB -0.370 40.458 40.800 0.045 0.000 0.979 147 D HN 0.318 nan 8.370 nan 0.000 0.449 148 D N 0.558 120.963 120.400 0.007 0.000 2.149 148 D HA -0.140 4.501 4.640 0.001 0.000 0.194 148 D C 2.263 178.522 176.300 -0.069 0.000 1.001 148 D CA 0.896 54.883 54.000 -0.023 0.000 0.849 148 D CB -0.014 40.767 40.800 -0.032 0.000 0.939 148 D HN 0.076 nan 8.370 nan 0.000 0.449 149 V N 0.377 120.208 119.914 -0.139 0.000 2.287 149 V HA -0.226 3.895 4.120 0.001 0.000 0.248 149 V C 1.569 177.398 176.094 -0.442 0.000 1.053 149 V CA 1.481 63.566 62.300 -0.358 0.000 1.027 149 V CB -0.415 31.060 31.823 -0.581 0.000 0.646 149 V HN 0.096 nan 8.190 nan 0.000 0.447 150 F N -0.532 119.430 119.950 0.019 0.000 2.708 150 F HA 0.595 5.122 4.527 0.001 0.000 0.300 150 F C 1.577 177.377 175.800 -0.000 0.000 1.118 150 F CA 0.034 58.040 58.000 0.010 0.000 1.307 150 F CB -0.642 38.359 39.000 0.002 0.000 0.986 150 F HN -0.007 nan 8.300 nan 0.000 0.522 151 A N 0.131 123.017 122.820 0.109 0.000 1.821 151 A HA -0.178 4.143 4.320 0.001 0.000 0.215 151 A C 1.336 178.954 177.584 0.056 0.000 1.214 151 A CA 1.898 53.979 52.037 0.072 0.000 0.608 151 A CB -0.767 18.254 19.000 0.034 0.000 0.862 151 A HN 0.279 nan 8.150 nan 0.000 0.448 152 D N -0.771 119.651 120.400 0.038 0.000 2.427 152 D HA 0.511 5.151 4.640 0.001 0.000 0.224 152 D C 0.076 176.398 176.300 0.036 0.000 1.157 152 D CA 0.333 54.350 54.000 0.028 0.000 0.828 152 D CB 0.217 41.026 40.800 0.014 0.000 0.974 152 D HN 0.513 nan 8.370 nan 0.000 0.498 153 A N 1.332 124.188 122.820 0.061 0.000 2.302 153 A HA 0.517 4.838 4.320 0.001 0.000 0.285 153 A C -1.842 175.778 177.584 0.061 0.000 1.105 153 A CA -1.173 50.910 52.037 0.076 0.000 0.816 153 A CB 0.303 19.378 19.000 0.125 0.000 1.067 153 A HN 0.067 nan 8.150 nan 0.000 0.489 154 P HA 0.007 nan 4.420 nan 0.000 0.277 154 P C -1.952 175.337 177.300 -0.018 0.000 1.269 154 P CA -0.445 62.672 63.100 0.028 0.000 0.840 154 P CB -0.177 31.558 31.700 0.059 0.000 1.156 155 P HA -0.117 nan 4.420 nan 0.000 0.213 155 P C 1.600 178.788 177.300 -0.186 0.000 1.169 155 P CA 1.458 64.492 63.100 -0.111 0.000 0.885 155 P CB -0.100 31.531 31.700 -0.116 0.000 0.779 156 Q N 0.054 119.704 119.800 -0.251 0.000 2.508 156 Q HA -0.032 4.309 4.340 0.001 0.000 0.214 156 Q C 1.825 177.573 176.000 -0.421 0.000 0.979 156 Q CA 1.259 56.818 55.803 -0.406 0.000 0.911 156 Q CB -1.053 27.262 28.738 -0.705 0.000 0.969 156 Q HN 0.238 nan 8.270 nan 0.000 0.504 157 A N -0.565 122.041 122.820 -0.356 0.000 1.901 157 A HA 0.046 4.367 4.320 0.001 0.000 0.210 157 A C 1.925 179.322 177.584 -0.311 0.000 1.208 157 A CA 0.484 52.195 52.037 -0.544 0.000 0.644 157 A CB -0.110 18.787 19.000 -0.172 0.000 0.863 157 A HN 0.279 nan 8.150 nan 0.000 0.454 158 R N 0.275 120.664 120.500 -0.185 0.000 2.127 158 R HA -0.084 4.257 4.340 0.001 0.000 0.238 158 R C 2.296 178.429 176.300 -0.278 0.000 1.134 158 R CA 1.541 57.518 56.100 -0.205 0.000 0.975 158 R CB -0.295 29.938 30.300 -0.113 0.000 0.865 158 R HN 0.491 nan 8.270 nan 0.000 0.447 159 S N 0.485 116.039 115.700 -0.243 0.000 2.399 159 S HA -0.103 4.368 4.470 0.001 0.000 0.231 159 S C 1.916 176.393 174.600 -0.205 0.000 1.022 159 S CA 1.199 59.277 58.200 -0.204 0.000 0.983 159 S CB 0.042 63.129 63.200 -0.188 0.000 0.803 159 S HN 0.463 nan 8.310 nan 0.000 0.480 160 A N 0.789 123.453 122.820 -0.259 0.000 2.072 160 A HA 0.328 4.648 4.320 0.001 0.000 0.216 160 A C 1.931 179.347 177.584 -0.281 0.000 1.156 160 A CA 1.068 52.998 52.037 -0.178 0.000 0.701 160 A CB -0.448 18.458 19.000 -0.157 0.000 0.816 160 A HN 0.492 nan 8.150 nan 0.000 0.458 161 G N -1.507 106.898 108.800 -0.658 0.000 3.393 161 G HA2 0.395 4.355 3.960 0.001 0.000 0.255 161 G HA3 0.395 4.355 3.960 0.001 0.000 0.255 161 G C 1.138 175.603 174.900 -0.725 0.000 1.097 161 G CA 0.898 45.231 45.100 -1.278 0.000 0.780 161 G HN 0.547 nan 8.290 nan 0.000 0.540 162 A N 1.683 124.270 122.820 -0.388 0.000 1.832 162 A HA 0.230 4.551 4.320 0.001 0.000 0.214 162 A C -0.106 177.425 177.584 -0.088 0.000 1.200 162 A CA 0.675 52.590 52.037 -0.203 0.000 0.610 162 A CB -1.066 17.844 19.000 -0.149 0.000 0.842 162 A HN 0.386 nan 8.150 nan 0.000 0.444 166 Y N 0.959 121.228 120.300 -0.052 0.000 2.220 166 Y HA -0.078 4.473 4.550 0.001 0.000 0.291 166 Y C 2.215 178.092 175.900 -0.038 0.000 1.129 166 Y CA 2.294 60.368 58.100 -0.044 0.000 1.161 166 Y CB -0.041 38.392 38.460 -0.045 0.000 0.997 166 Y HN 0.108 nan 8.280 nan 0.000 0.522 167 S N 0.851 116.440 115.700 -0.185 0.000 2.383 167 S HA -0.143 4.328 4.470 0.001 0.000 0.227 167 S C 2.273 176.721 174.600 -0.254 0.000 1.026 167 S CA 0.901 58.943 58.200 -0.263 0.000 0.981 167 S CB -0.788 62.379 63.200 -0.055 0.000 0.818 167 S HN 0.662 nan 8.310 nan 0.000 0.472 168 A N 3.583 126.307 122.820 -0.160 0.000 1.841 168 A HA -0.186 4.134 4.320 0.001 0.000 0.216 168 A C 1.898 179.389 177.584 -0.154 0.000 1.199 168 A CA 1.724 53.684 52.037 -0.129 0.000 0.621 168 A CB -0.874 18.093 19.000 -0.055 0.000 0.835 168 A HN 0.520 nan 8.150 nan 0.000 0.445 169 N N 0.692 119.297 118.700 -0.158 0.000 2.289 169 N HA -0.110 4.631 4.740 0.001 0.000 0.184 169 N C 1.807 177.195 175.510 -0.204 0.000 1.016 169 N CA 1.376 54.338 53.050 -0.147 0.000 0.872 169 N CB -0.605 37.813 38.487 -0.113 0.000 0.973 169 N HN 0.523 nan 8.380 nan 0.000 0.433 170 A N 1.490 124.106 122.820 -0.339 0.000 1.835 170 A HA 0.037 4.357 4.320 0.001 0.000 0.215 170 A C 2.332 179.786 177.584 -0.217 0.000 1.199 170 A CA 2.161 53.980 52.037 -0.364 0.000 0.615 170 A CB -0.961 17.682 19.000 -0.595 0.000 0.838 170 A HN 0.330 nan 8.150 nan 0.000 0.444 171 A N -1.046 121.652 122.820 -0.204 0.000 2.169 171 A HA 0.435 4.756 4.320 0.001 0.000 0.212 171 A C 2.236 179.745 177.584 -0.126 0.000 1.153 171 A CA 1.387 53.332 52.037 -0.154 0.000 0.756 171 A CB -0.628 18.267 19.000 -0.176 0.000 0.813 171 A HN 0.955 nan 8.150 nan 0.000 0.471 172 A N -1.044 121.700 122.820 -0.127 0.000 1.970 172 A HA 0.341 4.661 4.320 0.001 0.000 0.216 172 A C 1.822 179.363 177.584 -0.072 0.000 1.170 172 A CA 1.631 53.612 52.037 -0.094 0.000 0.645 172 A CB -0.347 18.600 19.000 -0.088 0.000 0.816 172 A HN 0.990 nan 8.150 nan 0.000 0.447 173 G N -2.498 106.256 108.800 -0.077 0.000 4.162 173 G HA2 0.283 4.243 3.960 0.001 0.000 0.252 173 G HA3 0.283 4.243 3.960 0.001 0.000 0.252 173 G C 0.825 175.692 174.900 -0.055 0.000 1.064 173 G CA 0.580 45.646 45.100 -0.057 0.000 0.850 173 G HN 0.328 nan 8.290 nan 0.000 0.454 174 Q N -0.676 119.082 119.800 -0.071 0.000 2.477 174 Q HA 0.465 4.806 4.340 0.001 0.000 0.252 174 Q C 0.980 176.948 176.000 -0.053 0.000 0.869 174 Q CA 0.820 56.587 55.803 -0.060 0.000 0.969 174 Q CB 1.571 30.266 28.738 -0.072 0.000 1.144 174 Q HN 0.584 nan 8.270 nan 0.000 0.577 178 D N 1.322 121.693 120.400 -0.048 0.000 2.126 178 D HA -0.211 4.430 4.640 0.001 0.000 0.190 178 D C 2.378 178.654 176.300 -0.040 0.000 1.001 178 D CA 2.706 56.643 54.000 -0.105 0.000 0.841 178 D CB -0.088 40.702 40.800 -0.016 0.000 0.949 178 D HN 0.764 nan 8.370 nan 0.000 0.446 179 S N 0.724 116.472 115.700 0.080 0.000 2.372 179 S HA -0.265 4.205 4.470 0.001 0.000 0.227 179 S C 1.581 176.243 174.600 0.104 0.000 1.044 179 S CA 1.733 60.018 58.200 0.142 0.000 1.050 179 S CB -0.687 62.575 63.200 0.104 0.000 0.901 179 S HN 0.143 nan 8.310 nan 0.000 0.447 180 D N 1.430 121.857 120.400 0.044 0.000 2.178 180 D HA 0.020 4.660 4.640 0.001 0.000 0.201 180 D C 1.861 178.170 176.300 0.015 0.000 0.980 180 D CA 0.776 54.797 54.000 0.035 0.000 0.842 180 D CB -0.406 40.405 40.800 0.019 0.000 0.948 180 D HN 0.377 nan 8.370 nan 0.000 0.472 181 L N -0.937 120.248 121.223 -0.063 0.000 2.005 181 L HA -0.115 4.226 4.340 0.001 0.000 0.207 181 L C 1.969 178.789 176.870 -0.082 0.000 1.072 181 L CA 1.248 55.994 54.840 -0.157 0.000 0.744 181 L CB -0.234 41.608 42.059 -0.361 0.000 0.895 181 L HN 0.175 nan 8.230 nan 0.000 0.433 182 W N 0.596 121.892 121.300 -0.007 0.000 2.338 182 W HA -0.204 4.456 4.660 0.001 0.000 0.304 182 W C 1.448 177.954 176.519 -0.021 0.000 1.212 182 W CA -0.199 57.132 57.345 -0.023 0.000 1.264 182 W CB -0.181 29.258 29.460 -0.035 0.000 1.142 182 W HN 0.208 nan 8.180 nan 0.000 0.512 186 S N 0.376 116.146 115.700 0.117 0.000 2.442 186 S HA -0.166 4.304 4.470 0.001 0.000 0.236 186 S C 1.220 175.868 174.600 0.079 0.000 1.007 186 S CA 1.859 60.082 58.200 0.038 0.000 0.965 186 S CB -0.279 62.914 63.200 -0.012 0.000 0.773 186 S HN 0.457 nan 8.310 nan 0.000 0.504 187 D N 1.092 121.551 120.400 0.098 0.000 2.106 187 D HA -0.032 4.609 4.640 0.001 0.000 0.203 187 D C 2.364 178.740 176.300 0.127 0.000 0.977 187 D CA 0.989 55.049 54.000 0.099 0.000 0.844 187 D CB -0.037 40.815 40.800 0.087 0.000 1.002 187 D HN 0.183 nan 8.370 nan 0.000 0.461 188 Q N 0.096 119.982 119.800 0.143 0.000 2.167 188 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 188 Q C 2.224 178.369 176.000 0.242 0.000 0.970 188 Q CA 0.397 56.302 55.803 0.170 0.000 0.855 188 Q CB -0.141 28.689 28.738 0.153 0.000 0.911 188 Q HN 0.411 nan 8.270 nan 0.000 0.438 189 I N 0.628 121.361 120.570 0.272 0.000 2.208 189 I HA -0.201 3.969 4.170 0.001 0.000 0.245 189 I C 2.160 178.515 176.117 0.396 0.000 1.097 189 I CA 1.666 63.200 61.300 0.389 0.000 1.363 189 I CB -1.332 36.920 38.000 0.420 0.000 1.051 189 I HN 0.195 nan 8.210 nan 0.000 0.413 190 G N 0.231 109.195 108.800 0.272 0.000 2.404 190 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 190 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 190 G C 1.813 176.822 174.900 0.182 0.000 1.174 190 G CA 0.304 45.532 45.100 0.212 0.000 0.780 190 G HN 0.316 nan 8.290 nan 0.000 0.537 191 K N -0.114 120.392 120.400 0.175 0.000 2.097 191 K HA 0.067 4.388 4.320 0.001 0.000 0.206 191 K C 2.410 179.134 176.600 0.207 0.000 1.049 191 K CA 0.775 57.159 56.287 0.162 0.000 0.933 191 K CB -0.198 32.385 32.500 0.138 0.000 0.717 191 K HN 0.329 nan 8.250 nan 0.000 0.442 192 I N 1.010 121.742 120.570 0.270 0.000 2.315 192 I HA -0.250 3.921 4.170 0.001 0.000 0.248 192 I C 2.522 178.822 176.117 0.305 0.000 1.117 192 I CA 1.077 62.594 61.300 0.362 0.000 1.404 192 I CB -0.160 38.130 38.000 0.484 0.000 1.071 192 I HN 0.150 nan 8.210 nan 0.000 0.419 193 K N 0.729 121.240 120.400 0.186 0.000 2.103 193 K HA -0.164 4.157 4.320 0.001 0.000 0.204 193 K C 1.528 178.104 176.600 -0.041 0.000 1.052 193 K CA 1.343 57.548 56.287 -0.136 0.000 0.945 193 K CB 0.121 32.508 32.500 -0.188 0.000 0.722 193 K HN 0.260 nan 8.250 nan 0.000 0.443 194 D N 0.249 120.684 120.400 0.058 0.000 2.149 194 D HA -0.067 4.573 4.640 0.001 0.000 0.206 194 D C 1.577 177.928 176.300 0.084 0.000 0.967 194 D CA 0.812 54.843 54.000 0.052 0.000 0.848 194 D CB -0.030 40.809 40.800 0.064 0.000 0.998 194 D HN 0.202 nan 8.370 nan 0.000 0.474 195 N N -0.099 118.697 118.700 0.161 0.000 2.173 195 N HA -0.123 4.618 4.740 0.001 0.000 0.184 195 N C 1.716 177.415 175.510 0.315 0.000 1.025 195 N CA 0.664 53.848 53.050 0.224 0.000 0.852 195 N CB -0.332 38.305 38.487 0.250 0.000 0.998 195 N HN 0.228 nan 8.380 nan 0.000 0.427 196 Y N 0.971 121.405 120.300 0.223 0.000 2.239 196 Y HA 0.164 4.714 4.550 0.001 0.000 0.293 196 Y C 2.114 178.178 175.900 0.274 0.000 1.126 196 Y CA 0.460 58.758 58.100 0.331 0.000 1.128 196 Y CB -0.729 37.947 38.460 0.360 0.000 1.066 196 Y HN -0.083 nan 8.280 nan 0.000 0.516 197 L N 0.246 121.502 121.223 0.054 0.000 2.109 197 L HA 0.122 4.463 4.340 0.001 0.000 0.207 197 L C 2.271 179.130 176.870 -0.019 0.000 1.086 197 L CA 2.228 57.024 54.840 -0.073 0.000 0.760 197 L CB -1.118 40.804 42.059 -0.227 0.000 0.910 197 L HN 0.302 nan 8.230 nan 0.000 0.437 198 G N -1.118 107.657 108.800 -0.041 0.000 2.408 198 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 198 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 198 G C 1.473 176.320 174.900 -0.089 0.000 1.150 198 G CA 0.906 45.973 45.100 -0.055 0.000 0.776 198 G HN 0.303 nan 8.290 nan 0.000 0.542 199 V N 0.075 119.895 119.914 -0.157 0.000 2.233 199 V HA -0.236 3.884 4.120 0.001 0.000 0.247 199 V C 2.402 178.307 176.094 -0.314 0.000 1.050 199 V CA 1.706 63.782 62.300 -0.372 0.000 1.010 199 V CB -0.790 30.488 31.823 -0.908 0.000 0.637 199 V HN 0.378 nan 8.190 nan 0.000 0.444 200 Y N 0.523 120.740 120.300 -0.139 0.000 2.181 200 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 200 Y C 2.623 178.466 175.900 -0.095 0.000 1.146 200 Y CA 1.664 59.744 58.100 -0.033 0.000 1.164 200 Y CB -0.507 38.009 38.460 0.092 0.000 0.982 200 Y HN 0.331 nan 8.280 nan 0.000 0.515 201 E N -0.386 119.827 120.200 0.022 0.000 2.085 201 E HA -0.257 4.093 4.350 0.001 0.000 0.194 201 E C 2.006 178.514 176.600 -0.154 0.000 0.994 201 E CA 1.264 57.532 56.400 -0.221 0.000 0.801 201 E CB -0.185 29.434 29.700 -0.134 0.000 0.743 201 E HN 0.366 nan 8.360 nan 0.000 0.453 202 N N 0.212 118.857 118.700 -0.091 0.000 2.135 202 N HA -0.132 4.609 4.740 0.001 0.000 0.186 202 N C 1.746 177.242 175.510 -0.024 0.000 1.027 202 N CA 1.049 54.060 53.050 -0.065 0.000 0.849 202 N CB -0.277 38.164 38.487 -0.078 0.000 1.002 202 N HN -0.054 nan 8.380 nan 0.000 0.425 203 V N 0.124 120.027 119.914 -0.018 0.000 2.250 203 V HA -0.240 3.880 4.120 0.001 0.000 0.250 203 V C 2.384 178.543 176.094 0.108 0.000 1.060 203 V CA 1.747 64.079 62.300 0.053 0.000 1.030 203 V CB -0.612 31.246 31.823 0.058 0.000 0.643 203 V HN 0.221 nan 8.190 nan 0.000 0.445 204 V N 0.308 120.256 119.914 0.056 0.000 2.358 204 V HA -0.168 3.952 4.120 0.001 0.000 0.246 204 V C 2.549 178.675 176.094 0.053 0.000 1.047 204 V CA 2.136 64.463 62.300 0.045 0.000 1.035 204 V CB -1.195 30.567 31.823 -0.101 0.000 0.658 204 V HN 0.644 nan 8.190 nan 0.000 0.452 205 G N -1.210 107.582 108.800 -0.014 0.000 2.446 205 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 205 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 205 G C 1.475 176.421 174.900 0.076 0.000 1.168 205 G CA 0.591 45.695 45.100 0.006 0.000 0.771 205 G HN 0.445 nan 8.290 nan 0.000 0.551 206 Q N -0.681 119.178 119.800 0.097 0.000 2.124 206 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 206 Q C 2.204 178.309 176.000 0.175 0.000 0.977 206 Q CA 1.099 56.989 55.803 0.144 0.000 0.850 206 Q CB -0.359 28.456 28.738 0.128 0.000 0.901 206 Q HN 0.679 nan 8.270 nan 0.000 0.429 207 Y N 1.223 121.584 120.300 0.100 0.000 2.263 207 Y HA -0.137 4.414 4.550 0.001 0.000 0.292 207 Y C 2.232 178.229 175.900 0.162 0.000 1.130 207 Y CA 1.534 59.714 58.100 0.134 0.000 1.179 207 Y CB 0.048 38.571 38.460 0.105 0.000 0.998 207 Y HN 0.035 nan 8.280 nan 0.000 0.532 208 T N -0.049 114.618 114.554 0.188 0.000 2.915 208 T HA -0.146 4.205 4.350 0.001 0.000 0.269 208 T C 1.264 176.016 174.700 0.086 0.000 1.071 208 T CA 1.478 63.656 62.100 0.130 0.000 1.132 208 T CB -0.205 68.715 68.868 0.087 0.000 0.878 208 T HN 0.375 nan 8.240 nan 0.000 0.479 209 D N 0.495 120.948 120.400 0.088 0.000 2.149 209 D HA -0.013 4.628 4.640 0.001 0.000 0.201 209 D C 1.697 177.977 176.300 -0.033 0.000 0.972 209 D CA 0.613 54.690 54.000 0.129 0.000 0.835 209 D CB -0.271 40.689 40.800 0.268 0.000 0.966 209 D HN 0.362 nan 8.370 nan 0.000 0.476 210 F N 0.756 120.371 119.950 -0.559 0.000 2.113 210 F HA -0.215 4.312 4.527 0.001 0.000 0.297 210 F C 2.231 177.678 175.800 -0.589 0.000 1.103 210 F CA 1.013 58.240 58.000 -1.289 0.000 1.248 210 F CB -0.717 37.511 39.000 -1.288 0.000 0.999 210 F HN -0.105 nan 8.300 nan 0.000 0.475 211 Y N 1.108 121.009 120.300 -0.664 0.000 2.352 211 Y HA -0.128 4.422 4.550 0.001 0.000 0.292 211 Y C 2.485 178.262 175.900 -0.205 0.000 1.136 211 Y CA 1.894 59.704 58.100 -0.483 0.000 1.227 211 Y CB -0.427 37.920 38.460 -0.188 0.000 0.991 211 Y HN 0.097 nan 8.280 nan 0.000 0.545 212 K N -0.498 119.924 120.400 0.037 0.000 2.103 212 K HA -0.081 4.239 4.320 0.001 0.000 0.204 212 K C 2.208 178.799 176.600 -0.015 0.000 1.052 212 K CA 0.897 57.228 56.287 0.074 0.000 0.945 212 K CB -0.208 32.346 32.500 0.090 0.000 0.722 212 K HN 0.341 nan 8.250 nan 0.000 0.443 213 A N 0.441 123.217 122.820 -0.073 0.000 1.968 213 A HA -0.130 4.190 4.320 0.001 0.000 0.217 213 A C 1.871 179.379 177.584 -0.126 0.000 1.169 213 A CA 0.887 52.908 52.037 -0.027 0.000 0.638 213 A CB -0.575 18.504 19.000 0.132 0.000 0.812 213 A HN 0.471 nan 8.150 nan 0.000 0.446 214 F N 0.804 120.489 119.950 -0.440 0.000 2.113 214 F HA -0.100 4.428 4.527 0.001 0.000 0.297 214 F C 2.528 178.146 175.800 -0.303 0.000 1.103 214 F CA 1.841 59.568 58.000 -0.455 0.000 1.248 214 F CB -0.469 38.060 39.000 -0.786 0.000 0.999 214 F HN 0.207 nan 8.300 nan 0.000 0.475 215 S N -0.249 115.312 115.700 -0.231 0.000 2.442 215 S HA -0.188 4.283 4.470 0.001 0.000 0.236 215 S C 1.585 176.058 174.600 -0.212 0.000 1.007 215 S CA 1.707 59.785 58.200 -0.204 0.000 0.965 215 S CB -0.701 62.504 63.200 0.007 0.000 0.773 215 S HN 0.512 nan 8.310 nan 0.000 0.504 216 D N 0.826 121.127 120.400 -0.166 0.000 2.269 216 D HA 0.100 4.741 4.640 0.001 0.000 0.208 216 D C 1.642 177.849 176.300 -0.154 0.000 0.963 216 D CA 0.658 54.589 54.000 -0.115 0.000 0.864 216 D CB -0.099 40.673 40.800 -0.047 0.000 0.936 216 D HN 0.461 nan 8.370 nan 0.000 0.505 217 I N -0.006 120.430 120.570 -0.222 0.000 2.406 217 I HA -0.140 4.030 4.170 0.001 0.000 0.249 217 I C 1.976 177.963 176.117 -0.216 0.000 1.122 217 I CA 0.435 61.647 61.300 -0.147 0.000 1.431 217 I CB 0.057 37.971 38.000 -0.144 0.000 1.087 217 I HN 0.010 nan 8.210 nan 0.000 0.424 218 L N -0.103 120.905 121.223 -0.359 0.000 2.083 218 L HA -0.199 4.142 4.340 0.001 0.000 0.209 218 L C 2.635 179.324 176.870 -0.301 0.000 1.083 218 L CA 1.138 55.791 54.840 -0.312 0.000 0.752 218 L CB -0.673 41.207 42.059 -0.299 0.000 0.899 218 L HN 0.192 nan 8.230 nan 0.000 0.433 219 S N -1.038 114.501 115.700 -0.268 0.000 2.368 219 S HA -0.141 4.330 4.470 0.001 0.000 0.225 219 S C 1.091 175.466 174.600 -0.376 0.000 1.030 219 S CA 0.981 59.027 58.200 -0.256 0.000 0.999 219 S CB -0.170 62.922 63.200 -0.181 0.000 0.844 219 S HN 0.427 nan 8.310 nan 0.000 0.459 223 N N -0.056 118.383 118.700 -0.436 0.000 2.461 223 N HA 0.025 4.766 4.740 0.001 0.000 0.188 223 N C 0.500 175.919 175.510 -0.151 0.000 1.134 223 N CA 0.678 53.538 53.050 -0.315 0.000 0.878 223 N CB -0.013 38.253 38.487 -0.368 0.000 0.972 223 N HN 0.699 nan 8.380 nan 0.000 0.456 224 W N 0.648 121.929 121.300 -0.033 0.000 3.132 224 W HA 0.537 5.197 4.660 0.001 0.000 0.364 224 W C 0.343 176.862 176.519 -0.001 0.000 1.129 224 W CA -0.527 56.808 57.345 -0.018 0.000 1.815 224 W CB -0.076 29.376 29.460 -0.014 0.000 1.099 224 W HN -0.066 nan 8.180 nan 0.000 0.605 236 L N 1.816 123.022 121.223 -0.029 0.000 2.365 236 L HA 0.475 4.815 4.340 0.001 0.000 0.273 236 L C -1.143 175.722 176.870 -0.010 0.000 1.000 236 L CA -0.248 54.593 54.840 0.001 0.000 0.819 236 L CB 1.458 43.493 42.059 -0.039 0.000 1.284 236 L HN 0.271 nan 8.230 nan 0.000 0.418 237 N N 2.508 121.219 118.700 0.018 0.000 3.228 237 N HA 0.177 4.917 4.740 0.001 0.000 0.289 237 N C 0.824 176.243 175.510 -0.153 0.000 1.419 237 N CA -0.174 52.839 53.050 -0.061 0.000 1.088 237 N CB 0.546 38.997 38.487 -0.060 0.000 1.357 237 N HN 0.465 nan 8.380 nan 0.000 0.504 238 V N 0.695 120.523 119.914 -0.144 0.000 2.660 238 V HA -0.236 3.884 4.120 0.001 0.000 0.257 238 V C 1.704 177.681 176.094 -0.194 0.000 1.088 238 V CA 1.519 63.710 62.300 -0.182 0.000 1.106 238 V CB -0.379 31.332 31.823 -0.187 0.000 0.686 238 V HN 0.675 nan 8.190 nan 0.000 0.481 239 D N 0.292 120.570 120.400 -0.205 0.000 2.106 239 D HA -0.066 4.574 4.640 0.001 0.000 0.203 239 D C 2.264 178.374 176.300 -0.317 0.000 0.977 239 D CA 1.544 55.418 54.000 -0.209 0.000 0.844 239 D CB 0.050 40.750 40.800 -0.166 0.000 1.002 239 D HN 0.434 nan 8.370 nan 0.000 0.461 240 A N 1.355 123.875 122.820 -0.500 0.000 1.933 240 A HA -0.138 4.183 4.320 0.001 0.000 0.218 240 A C 2.267 179.212 177.584 -1.064 0.000 1.175 240 A CA 0.891 52.418 52.037 -0.851 0.000 0.628 240 A CB -0.748 17.441 19.000 -1.352 0.000 0.814 240 A HN 0.283 nan 8.150 nan 0.000 0.444 241 L N -0.883 119.847 121.223 -0.821 0.000 2.044 241 L HA -0.101 4.240 4.340 0.001 0.000 0.205 241 L C 2.455 179.224 176.870 -0.169 0.000 1.075 241 L CA 2.063 56.655 54.840 -0.413 0.000 0.747 241 L CB -0.267 41.755 42.059 -0.063 0.000 0.903 241 L HN 0.396 nan 8.230 nan 0.000 0.435 242 K N -0.364 119.945 120.400 -0.152 0.000 2.288 242 K HA -0.086 4.234 4.320 0.001 0.000 0.201 242 K C 1.820 178.380 176.600 -0.067 0.000 1.048 242 K CA 0.884 57.135 56.287 -0.060 0.000 0.956 242 K CB 0.073 32.531 32.500 -0.069 0.000 0.746 242 K HN 0.471 nan 8.250 nan 0.000 0.461 243 A N 0.881 123.614 122.820 -0.144 0.000 1.930 243 A HA 0.021 4.342 4.320 0.001 0.000 0.215 243 A C 2.234 179.782 177.584 -0.060 0.000 1.176 243 A CA 1.364 53.336 52.037 -0.108 0.000 0.632 243 A CB -0.468 18.438 19.000 -0.156 0.000 0.819 243 A HN 0.384 nan 8.150 nan 0.000 0.445 244 A N 0.299 123.067 122.820 -0.088 0.000 1.841 244 A HA -0.044 4.276 4.320 0.001 0.000 0.214 244 A C 2.110 179.739 177.584 0.075 0.000 1.195 244 A CA 1.471 53.519 52.037 0.019 0.000 0.611 244 A CB -0.865 18.181 19.000 0.077 0.000 0.835 244 A HN 0.460 nan 8.150 nan 0.000 0.443 245 L N -0.611 120.667 121.223 0.091 0.000 2.051 245 L HA -0.295 4.046 4.340 0.001 0.000 0.214 245 L C 2.574 179.525 176.870 0.134 0.000 1.076 245 L CA 2.006 56.932 54.840 0.143 0.000 0.758 245 L CB -0.777 41.386 42.059 0.173 0.000 0.890 245 L HN 0.496 nan 8.230 nan 0.000 0.433 246 E N -0.249 120.005 120.200 0.089 0.000 2.110 246 E HA -0.193 4.158 4.350 0.001 0.000 0.193 246 E C 2.213 178.870 176.600 0.095 0.000 0.988 246 E CA 0.750 57.199 56.400 0.081 0.000 0.804 246 E CB 0.128 29.854 29.700 0.042 0.000 0.745 246 E HN 0.255 nan 8.360 nan 0.000 0.458 247 K N 0.503 120.958 120.400 0.092 0.000 2.103 247 K HA -0.102 4.219 4.320 0.001 0.000 0.204 247 K C 2.052 178.752 176.600 0.166 0.000 1.052 247 K CA 0.444 56.792 56.287 0.100 0.000 0.945 247 K CB -0.332 32.218 32.500 0.084 0.000 0.722 247 K HN 0.114 nan 8.250 nan 0.000 0.443 248 L N 1.776 123.130 121.223 0.218 0.000 2.093 248 L HA -0.114 4.226 4.340 0.001 0.000 0.208 248 L C 2.298 179.425 176.870 0.428 0.000 1.085 248 L CA 1.794 56.854 54.840 0.366 0.000 0.755 248 L CB -0.545 41.692 42.059 0.296 0.000 0.904 248 L HN 0.067 nan 8.230 nan 0.000 0.435 249 K N -0.310 120.260 120.400 0.284 0.000 2.002 249 K HA -0.260 4.061 4.320 0.001 0.000 0.209 249 K C 2.327 179.040 176.600 0.189 0.000 1.048 249 K CA 1.964 58.390 56.287 0.231 0.000 0.930 249 K CB -0.242 32.352 32.500 0.157 0.000 0.714 249 K HN 0.233 nan 8.250 nan 0.000 0.438 250 K N 0.151 120.634 120.400 0.138 0.000 2.026 250 K HA -0.164 4.157 4.320 0.001 0.000 0.208 250 K C 1.509 178.135 176.600 0.042 0.000 1.048 250 K CA 1.994 58.329 56.287 0.079 0.000 0.929 250 K CB -0.079 32.451 32.500 0.051 0.000 0.713 250 K HN 0.201 nan 8.250 nan 0.000 0.439 251 D N -0.350 120.074 120.400 0.039 0.000 2.218 251 D HA -0.134 4.506 4.640 0.001 0.000 0.204 251 D C 0.225 176.283 176.300 -0.404 0.000 0.976 251 D CA 1.075 54.975 54.000 -0.166 0.000 0.853 251 D CB 0.088 40.779 40.800 -0.182 0.000 0.939 251 D HN 0.193 nan 8.370 nan 0.000 0.481 252 F N 0.102 120.100 119.950 0.080 0.000 2.879 252 F HA 0.308 4.835 4.527 0.001 0.000 0.354 252 F C -0.094 175.694 175.800 -0.019 0.000 1.291 252 F CA -0.271 57.746 58.000 0.028 0.000 1.238 252 F CB 0.640 39.664 39.000 0.040 0.000 1.005 252 F HN -0.395 nan 8.300 nan 0.000 0.508 253 S N 0.552 116.308 115.700 0.094 0.000 2.543 253 S HA 0.518 4.989 4.470 0.001 0.000 0.271 253 S C -0.543 174.075 174.600 0.031 0.000 1.148 253 S CA -0.777 57.471 58.200 0.081 0.000 0.914 253 S CB 1.728 64.992 63.200 0.107 0.000 1.096 253 S HN 0.120 nan 8.310 nan 0.000 0.471 254 L N 2.626 123.860 121.223 0.019 0.000 2.559 254 L HA 0.230 4.570 4.340 0.001 0.000 0.282 254 L C 1.455 178.321 176.870 -0.008 0.000 1.232 254 L CA 0.154 54.986 54.840 -0.013 0.000 0.885 254 L CB -0.150 41.890 42.059 -0.032 0.000 1.131 254 L HN 0.862 nan 8.230 nan 0.000 0.498 255 G N 1.189 109.977 108.800 -0.020 0.000 2.504 255 G HA2 0.035 3.996 3.960 0.001 0.000 0.257 255 G HA3 0.035 3.996 3.960 0.001 0.000 0.257 255 G C 0.446 175.336 174.900 -0.017 0.000 1.451 255 G CA -0.289 44.803 45.100 -0.014 0.000 1.059 255 G HN 0.724 nan 8.290 nan 0.000 0.550 256 D N 0.011 120.402 120.400 -0.015 0.000 2.269 256 D HA -0.072 4.569 4.640 0.001 0.000 0.208 256 D C 1.574 177.857 176.300 -0.027 0.000 0.963 256 D CA 0.613 54.603 54.000 -0.017 0.000 0.864 256 D CB 0.146 40.939 40.800 -0.012 0.000 0.936 256 D HN 0.218 nan 8.370 nan 0.000 0.505 257 N N 0.371 119.052 118.700 -0.031 0.000 2.299 257 N HA 0.063 4.804 4.740 0.001 0.000 0.187 257 N C 0.873 176.352 175.510 -0.051 0.000 1.099 257 N CA -0.002 53.024 53.050 -0.039 0.000 0.867 257 N CB 0.875 39.340 38.487 -0.036 0.000 0.974 257 N HN 0.158 nan 8.380 nan 0.000 0.477 258 L N 0.826 122.017 121.223 -0.053 0.000 3.843 258 L HA -0.270 4.071 4.340 0.001 0.000 0.411 258 L C 0.200 177.028 176.870 -0.069 0.000 1.205 258 L CA 0.970 55.769 54.840 -0.068 0.000 0.945 258 L CB -1.799 40.203 42.059 -0.094 0.000 1.929 258 L HN 0.278 nan 8.230 nan 0.000 0.934 259 D N -2.342 118.024 120.400 -0.057 0.000 2.433 259 D HA 0.043 4.684 4.640 0.001 0.000 0.211 259 D C 0.699 176.966 176.300 -0.055 0.000 1.114 259 D CA -0.235 53.731 54.000 -0.056 0.000 0.837 259 D CB 0.176 40.946 40.800 -0.050 0.000 0.984 259 D HN 0.364 nan 8.370 nan 0.000 0.505 260 N N 1.114 119.781 118.700 -0.054 0.000 2.431 260 N HA 0.046 4.786 4.740 0.001 0.000 0.265 260 N C 0.491 175.967 175.510 -0.057 0.000 1.184 260 N CA 0.082 53.095 53.050 -0.062 0.000 0.943 260 N CB 0.881 39.328 38.487 -0.067 0.000 1.080 260 N HN 0.077 nan 8.380 nan 0.000 0.477 261 K N 2.592 122.957 120.400 -0.059 0.000 2.314 261 K HA 0.023 4.344 4.320 0.001 0.000 0.198 261 K C 0.999 177.580 176.600 -0.031 0.000 1.045 261 K CA 0.543 56.801 56.287 -0.047 0.000 0.988 261 K CB 0.286 32.756 32.500 -0.050 0.000 0.783 261 K HN 0.497 nan 8.250 nan 0.000 0.484 262 K N 0.917 121.280 120.400 -0.061 0.000 2.360 262 K HA -0.076 4.244 4.320 0.001 0.000 0.201 262 K C 1.558 178.207 176.600 0.080 0.000 1.046 262 K CA 1.072 57.327 56.287 -0.053 0.000 0.940 262 K CB 0.033 32.362 32.500 -0.285 0.000 0.748 262 K HN 0.108 nan 8.250 nan 0.000 0.465 263 A N 0.713 123.563 122.820 0.051 0.000 2.345 263 A HA 0.139 4.460 4.320 0.001 0.000 0.225 263 A C 0.185 177.819 177.584 0.082 0.000 1.243 263 A CA -0.240 51.864 52.037 0.110 0.000 0.875 263 A CB 0.490 19.534 19.000 0.073 0.000 0.929 263 A HN -0.022 nan 8.150 nan 0.000 0.502 264 V N 1.352 121.302 119.914 0.059 0.000 2.364 264 V HA 0.175 4.296 4.120 0.001 0.000 0.272 264 V C 1.121 177.252 176.094 0.061 0.000 1.036 264 V CA -0.068 62.258 62.300 0.043 0.000 0.880 264 V CB 1.080 32.894 31.823 -0.014 0.000 0.991 264 V HN 0.540 nan 8.190 nan 0.000 0.460 265 L N 4.603 125.885 121.223 0.099 0.000 2.307 265 L HA 0.322 4.663 4.340 0.001 0.000 0.211 265 L C 0.296 177.228 176.870 0.102 0.000 1.099 265 L CA 1.012 55.920 54.840 0.114 0.000 0.816 265 L CB 0.160 42.312 42.059 0.155 0.000 0.952 265 L HN 0.591 nan 8.230 nan 0.000 0.455 266 F N 1.002 120.912 119.950 -0.066 0.000 2.635 266 F HA 0.527 5.054 4.527 0.001 0.000 0.314 266 F C -2.949 172.812 175.800 -0.065 0.000 1.119 266 F CA -1.898 56.018 58.000 -0.141 0.000 1.000 266 F CB 1.945 40.809 39.000 -0.227 0.000 1.278 266 F HN -0.327 nan 8.300 nan 0.000 0.446 267 P HA 0.404 nan 4.420 nan 0.000 0.301 267 P C -1.044 175.991 177.300 -0.441 0.000 1.309 267 P CA -0.422 61.977 63.100 -1.168 0.000 0.782 267 P CB 1.045 31.981 31.700 -1.273 0.000 1.282 268 A N 0.884 123.525 122.820 -0.299 0.000 2.561 268 A HA 0.059 4.380 4.320 0.001 0.000 0.234 268 A C 0.438 177.928 177.584 -0.157 0.000 1.055 268 A CA 0.495 52.430 52.037 -0.170 0.000 0.756 268 A CB -0.641 18.283 19.000 -0.126 0.000 0.986 268 A HN 0.399 nan 8.150 nan 0.000 0.505 269 Q N 0.945 120.681 119.800 -0.107 0.000 2.306 269 Q HA 0.428 4.769 4.340 0.001 0.000 0.265 269 Q C 0.541 176.502 176.000 -0.065 0.000 1.022 269 Q CA -0.340 55.410 55.803 -0.089 0.000 0.853 269 Q CB 1.782 30.476 28.738 -0.072 0.000 1.327 269 Q HN 0.896 nan 8.270 nan 0.000 0.449 270 S N 0.696 116.360 115.700 -0.060 0.000 2.612 270 S HA 0.015 4.486 4.470 0.001 0.000 0.253 270 S C 1.010 175.587 174.600 -0.038 0.000 1.346 270 S CA 0.502 58.675 58.200 -0.045 0.000 0.976 270 S CB 0.623 63.798 63.200 -0.042 0.000 0.949 270 S HN 0.695 nan 8.310 nan 0.000 0.584 271 K N -0.329 120.052 120.400 -0.031 0.000 2.190 271 K HA 0.200 4.520 4.320 0.001 0.000 0.202 271 K C 0.618 177.202 176.600 -0.027 0.000 1.045 271 K CA 0.799 57.070 56.287 -0.026 0.000 0.976 271 K CB 0.018 32.506 32.500 -0.020 0.000 0.849 271 K HN 0.564 nan 8.250 nan 0.000 0.468 272 D N 0.393 120.777 120.400 -0.026 0.000 2.469 272 D HA 0.162 4.803 4.640 0.001 0.000 0.213 272 D C 0.268 176.552 176.300 -0.027 0.000 1.135 272 D CA 0.082 54.066 54.000 -0.025 0.000 0.834 272 D CB 1.091 41.879 40.800 -0.021 0.000 1.009 272 D HN 0.345 nan 8.370 nan 0.000 0.507 273 G N -0.170 108.612 108.800 -0.030 0.000 2.557 273 G HA2 0.479 4.439 3.960 0.001 0.000 0.292 273 G HA3 0.479 4.439 3.960 0.001 0.000 0.292 273 G C 0.509 175.387 174.900 -0.038 0.000 1.237 273 G CA -0.319 44.762 45.100 -0.032 0.000 0.978 273 G HN 0.047 nan 8.290 nan 0.000 0.498 274 G N -1.201 107.576 108.800 -0.038 0.000 2.634 274 G HA2 0.445 4.406 3.960 0.001 0.000 0.255 274 G HA3 0.445 4.406 3.960 0.001 0.000 0.255 274 G C 0.630 175.499 174.900 -0.053 0.000 1.205 274 G CA -0.581 44.492 45.100 -0.044 0.000 0.884 274 G HN 0.843 nan 8.290 nan 0.000 0.549 275 I N -1.836 118.699 120.570 -0.058 0.000 3.161 275 I HA 0.237 4.407 4.170 0.001 0.000 0.284 275 I C 0.201 176.273 176.117 -0.074 0.000 1.252 275 I CA 0.022 61.280 61.300 -0.070 0.000 1.374 275 I CB 0.400 38.355 38.000 -0.074 0.000 1.359 275 I HN 0.465 nan 8.210 nan 0.000 0.606 276 Q N 2.647 122.393 119.800 -0.090 0.000 3.068 276 Q HA 0.365 4.705 4.340 0.001 0.000 0.209 276 Q C -0.971 174.959 176.000 -0.117 0.000 0.802 276 Q CA -0.292 55.456 55.803 -0.091 0.000 0.848 276 Q CB 1.067 29.753 28.738 -0.087 0.000 1.459 276 Q HN 1.030 nan 8.270 nan 0.000 0.455 277 G N 0.664 109.410 108.800 -0.090 0.000 2.522 277 G HA2 0.735 4.696 3.960 0.001 0.000 0.304 277 G HA3 0.735 4.696 3.960 0.001 0.000 0.304 277 G C -0.084 174.817 174.900 0.001 0.000 1.210 277 G CA 0.040 45.100 45.100 -0.066 0.000 0.960 277 G HN 0.507 nan 8.290 nan 0.000 0.497 278 G N -1.055 107.803 108.800 0.097 0.000 2.667 278 G HA2 0.533 4.494 3.960 0.001 0.000 0.310 278 G HA3 0.533 4.494 3.960 0.001 0.000 0.310 278 G C 0.426 175.512 174.900 0.311 0.000 1.259 278 G CA 0.355 45.566 45.100 0.184 0.000 1.019 278 G HN 1.333 nan 8.290 nan 0.000 0.496 279 S N -1.083 114.765 115.700 0.248 0.000 2.554 279 S HA -0.071 4.399 4.470 0.001 0.000 0.290 279 S C 1.284 175.966 174.600 0.136 0.000 1.309 279 S CA 0.948 59.270 58.200 0.203 0.000 1.047 279 S CB 0.999 64.262 63.200 0.105 0.000 0.828 279 S HN 0.839 nan 8.310 nan 0.000 0.509 280 E N 2.230 122.322 120.200 -0.181 0.000 2.097 280 E HA -0.223 4.128 4.350 0.001 0.000 0.196 280 E C 2.047 178.430 176.600 -0.361 0.000 1.000 280 E CA 1.644 57.539 56.400 -0.842 0.000 0.804 280 E CB -0.593 28.317 29.700 -1.317 0.000 0.740 280 E HN 0.770 nan 8.360 nan 0.000 0.454 281 S N 0.295 115.870 115.700 -0.209 0.000 2.359 281 S HA -0.229 4.241 4.470 0.001 0.000 0.222 281 S C 1.453 176.020 174.600 -0.056 0.000 1.038 281 S CA 1.984 60.107 58.200 -0.128 0.000 1.051 281 S CB -0.560 62.588 63.200 -0.086 0.000 0.944 281 S HN 0.380 nan 8.310 nan 0.000 0.433 282 D N 1.076 121.497 120.400 0.036 0.000 2.149 282 D HA -0.021 4.620 4.640 0.001 0.000 0.198 282 D C 2.129 178.492 176.300 0.104 0.000 0.990 282 D CA 1.271 55.336 54.000 0.110 0.000 0.839 282 D CB -0.405 40.564 40.800 0.282 0.000 0.948 282 D HN 0.482 nan 8.370 nan 0.000 0.460 283 A N 0.573 123.509 122.820 0.194 0.000 1.930 283 A HA -0.154 4.167 4.320 0.001 0.000 0.217 283 A C 2.114 179.750 177.584 0.087 0.000 1.175 283 A CA 1.022 53.201 52.037 0.236 0.000 0.627 283 A CB -0.179 19.054 19.000 0.388 0.000 0.815 283 A HN 0.053 nan 8.150 nan 0.000 0.443 284 R N 0.025 120.525 120.500 -0.000 0.000 2.066 284 R HA -0.076 4.265 4.340 0.001 0.000 0.232 284 R C 2.075 178.334 176.300 -0.069 0.000 1.131 284 R CA 1.452 57.528 56.100 -0.039 0.000 0.955 284 R CB -0.568 29.675 30.300 -0.094 0.000 0.851 284 R HN 0.547 nan 8.270 nan 0.000 0.432 285 K N -0.239 120.085 120.400 -0.127 0.000 2.059 285 K HA -0.215 4.106 4.320 0.001 0.000 0.212 285 K C 2.052 178.456 176.600 -0.326 0.000 1.050 285 K CA 2.023 58.162 56.287 -0.246 0.000 0.927 285 K CB -0.230 32.075 32.500 -0.325 0.000 0.714 285 K HN 0.238 nan 8.250 nan 0.000 0.447 286 W N 0.274 121.416 121.300 -0.264 0.000 2.407 286 W HA -0.062 4.599 4.660 0.001 0.000 0.305 286 W C 2.530 178.961 176.519 -0.147 0.000 1.196 286 W CA 0.904 58.075 57.345 -0.291 0.000 1.311 286 W CB -0.381 28.713 29.460 -0.611 0.000 1.135 286 W HN 0.128 nan 8.180 nan 0.000 0.514 287 A N 0.760 123.653 122.820 0.121 0.000 1.903 287 A HA -0.295 4.026 4.320 0.001 0.000 0.219 287 A C 1.858 179.488 177.584 0.076 0.000 1.191 287 A CA 2.316 54.419 52.037 0.110 0.000 0.638 287 A CB -0.772 18.284 19.000 0.092 0.000 0.823 287 A HN 0.315 nan 8.150 nan 0.000 0.451 288 K N -0.065 120.347 120.400 0.021 0.000 1.978 288 K HA -0.123 4.197 4.320 0.001 0.000 0.214 288 K C 1.337 177.947 176.600 0.016 0.000 1.049 288 K CA 1.221 57.509 56.287 0.001 0.000 0.939 288 K CB -0.264 32.208 32.500 -0.047 0.000 0.721 288 K HN 0.686 nan 8.250 nan 0.000 0.441 292 L N 1.867 123.139 121.223 0.082 0.000 2.334 292 L HA 0.524 4.865 4.340 0.001 0.000 0.275 292 L C -1.720 175.215 176.870 0.108 0.000 1.036 292 L CA -2.158 52.743 54.840 0.102 0.000 0.807 292 L CB 1.846 43.981 42.059 0.127 0.000 1.231 292 L HN -0.000 nan 8.230 nan 0.000 0.438 293 P HA -0.019 nan 4.420 nan 0.000 0.267 293 P C -0.561 176.812 177.300 0.122 0.000 1.205 293 P CA 0.049 63.234 63.100 0.140 0.000 0.765 293 P CB 1.481 33.303 31.700 0.204 0.000 0.828 294 D N 1.955 122.401 120.400 0.076 0.000 2.407 294 D HA 0.062 4.703 4.640 0.001 0.000 0.208 294 D C 0.486 176.803 176.300 0.028 0.000 1.083 294 D CA -0.181 53.845 54.000 0.043 0.000 0.844 294 D CB 0.255 41.069 40.800 0.023 0.000 0.967 294 D HN 0.436 nan 8.370 nan 0.000 0.506 295 A N 3.112 125.961 122.820 0.049 0.000 2.589 295 A HA 0.002 4.323 4.320 0.001 0.000 0.259 295 A C -2.071 175.528 177.584 0.025 0.000 1.000 295 A CA -0.239 51.825 52.037 0.046 0.000 0.847 295 A CB -0.391 18.658 19.000 0.082 0.000 0.885 295 A HN 0.175 nan 8.150 nan 0.000 0.508 296 P HA 0.241 nan 4.420 nan 0.000 0.271 296 P C -2.560 174.755 177.300 0.025 0.000 1.218 296 P CA -1.308 61.803 63.100 0.018 0.000 0.780 296 P CB -0.248 31.461 31.700 0.016 0.000 0.901 297 P HA 0.003 nan 4.420 nan 0.000 0.266 297 P C -1.722 175.598 177.300 0.034 0.000 1.180 297 P CA -0.171 62.946 63.100 0.028 0.000 0.765 297 P CB -0.911 30.805 31.700 0.027 0.000 0.806 298 P HA 0.091 nan 4.420 nan 0.000 0.249 298 P C 0.891 178.235 177.300 0.073 0.000 1.229 298 P CA 0.324 63.454 63.100 0.050 0.000 0.788 298 P CB 0.124 31.852 31.700 0.048 0.000 1.072 299 G N -0.087 108.757 108.800 0.075 0.000 2.418 299 G HA2 0.138 4.099 3.960 0.001 0.000 0.276 299 G HA3 0.138 4.099 3.960 0.001 0.000 0.276 299 G C -0.900 174.096 174.900 0.161 0.000 1.442 299 G CA -0.236 44.933 45.100 0.114 0.000 1.066 299 G HN 0.172 nan 8.290 nan 0.000 0.553 300 F N 0.375 120.352 119.950 0.045 0.000 2.508 300 F HA 0.584 5.112 4.527 0.001 0.000 0.325 300 F C 0.109 175.943 175.800 0.056 0.000 1.090 300 F CA -0.692 57.338 58.000 0.051 0.000 0.945 300 F CB 2.241 41.270 39.000 0.048 0.000 1.156 300 F HN 0.562 nan 8.300 nan 0.000 0.463 301 S N 3.017 118.326 115.700 -0.653 0.000 2.548 301 S HA 0.308 4.779 4.470 0.001 0.000 0.276 301 S C -0.303 174.044 174.600 -0.422 0.000 1.129 301 S CA -0.793 57.228 58.200 -0.298 0.000 0.931 301 S CB 0.925 64.047 63.200 -0.130 0.000 1.068 301 S HN 0.789 nan 8.310 nan 0.000 0.480 302 C N 1.812 121.086 119.300 -0.043 0.000 2.500 302 C HA 0.185 4.646 4.460 0.001 0.000 0.273 302 C C 0.881 175.911 174.990 0.067 0.000 1.428 302 C CA -0.055 59.001 59.018 0.062 0.000 1.766 302 C CB -1.087 26.759 27.740 0.177 0.000 1.817 302 C HN 0.713 nan 8.230 nan 0.000 0.543 303 V N 2.387 122.347 119.914 0.077 0.000 2.389 303 V HA 0.248 4.368 4.120 0.001 0.000 0.264 303 V C -0.163 176.077 176.094 0.245 0.000 1.049 303 V CA 0.498 62.922 62.300 0.206 0.000 0.932 303 V CB 0.276 32.220 31.823 0.202 0.000 1.011 303 V HN 0.520 nan 8.190 nan 0.000 0.475 304 Q N 3.223 123.139 119.800 0.192 0.000 2.421 304 Q HA 0.496 4.837 4.340 0.001 0.000 0.280 304 Q C -0.760 175.045 176.000 -0.326 0.000 1.085 304 Q CA -0.936 54.853 55.803 -0.023 0.000 0.807 304 Q CB 3.076 31.765 28.738 -0.082 0.000 1.405 304 Q HN 0.590 nan 8.270 nan 0.000 0.419 305 K N 0.667 120.646 120.400 -0.700 0.000 2.218 305 K HA 0.629 4.950 4.320 0.001 0.000 0.276 305 K C -0.955 175.367 176.600 -0.463 0.000 1.022 305 K CA -0.052 55.660 56.287 -0.960 0.000 0.946 305 K CB 0.892 32.778 32.500 -1.023 0.000 1.000 305 K HN 0.665 nan 8.250 nan 0.000 0.468 306 A N 2.353 124.942 122.820 -0.386 0.000 2.284 306 A HA 0.584 4.904 4.320 0.001 0.000 0.317 306 A C 0.477 177.951 177.584 -0.184 0.000 1.120 306 A CA -0.123 51.781 52.037 -0.221 0.000 0.900 306 A CB 0.847 19.748 19.000 -0.166 0.000 1.319 306 A HN 0.830 nan 8.150 nan 0.000 0.494 307 A N -1.005 121.739 122.820 -0.126 0.000 2.264 307 A HA 0.064 4.384 4.320 0.001 0.000 0.207 307 A C 0.937 178.468 177.584 -0.090 0.000 1.196 307 A CA 1.734 53.713 52.037 -0.097 0.000 0.778 307 A CB -0.698 18.258 19.000 -0.073 0.000 0.779 307 A HN 0.729 nan 8.150 nan 0.000 0.483 308 D N -1.578 118.756 120.400 -0.109 0.000 2.262 308 D HA 0.269 4.910 4.640 0.001 0.000 0.212 308 D C 1.695 177.943 176.300 -0.087 0.000 0.964 308 D CA 1.717 55.664 54.000 -0.087 0.000 0.875 308 D CB 0.193 40.939 40.800 -0.089 0.000 0.996 308 D HN 0.479 nan 8.370 nan 0.000 0.497 309 G N -0.278 108.435 108.800 -0.146 0.000 2.254 309 G HA2 -0.247 3.714 3.960 0.001 0.000 0.225 309 G HA3 -0.247 3.714 3.960 0.001 0.000 0.225 309 G C 0.627 175.413 174.900 -0.189 0.000 1.003 309 G CA -0.006 45.012 45.100 -0.136 0.000 0.622 309 G HN 0.191 nan 8.290 nan 0.000 0.507 310 N N -0.148 118.461 118.700 -0.151 0.000 2.328 310 N HA 0.563 5.303 4.740 0.001 0.000 0.277 310 N C -0.399 174.878 175.510 -0.388 0.000 1.286 310 N CA 0.188 53.205 53.050 -0.054 0.000 0.949 310 N CB 0.102 38.616 38.487 0.045 0.000 1.136 310 N HN 0.366 nan 8.380 nan 0.000 0.550 311 W N -0.318 121.005 121.300 0.037 0.000 2.666 311 W HA 0.562 5.223 4.660 0.001 0.000 0.334 311 W C -0.286 176.284 176.519 0.084 0.000 1.051 311 W CA -0.742 56.640 57.345 0.062 0.000 1.224 311 W CB 0.802 30.315 29.460 0.089 0.000 1.405 311 W HN 0.189 nan 8.180 nan 0.000 0.513 312 V N 0.051 120.102 119.914 0.229 0.000 3.040 312 V HA 0.839 4.960 4.120 0.001 0.000 0.312 312 V C -1.260 174.987 176.094 0.256 0.000 1.115 312 V CA -1.288 61.124 62.300 0.186 0.000 0.998 312 V CB 1.625 33.468 31.823 0.034 0.000 1.042 312 V HN 0.262 nan 8.190 nan 0.000 0.433 313 V N 3.682 123.768 119.914 0.287 0.000 2.350 313 V HA 0.522 4.643 4.120 0.001 0.000 0.276 313 V C 0.285 176.482 176.094 0.172 0.000 1.028 313 V CA -0.388 62.060 62.300 0.247 0.000 0.860 313 V CB 0.985 32.978 31.823 0.284 0.000 0.990 313 V HN 0.791 nan 8.190 nan 0.000 0.453 314 V N 5.173 125.173 119.914 0.144 0.000 2.973 314 V HA 0.380 4.501 4.120 0.001 0.000 0.314 314 V C 0.288 176.469 176.094 0.146 0.000 1.066 314 V CA -0.548 61.827 62.300 0.126 0.000 1.021 314 V CB 2.409 34.294 31.823 0.103 0.000 1.076 314 V HN 0.643 nan 8.190 nan 0.000 0.462 315 V N 3.421 123.387 119.914 0.087 0.000 2.599 315 V HA 0.026 4.147 4.120 0.001 0.000 0.300 315 V C 0.577 176.689 176.094 0.029 0.000 1.034 315 V CA 0.225 62.520 62.300 -0.010 0.000 1.115 315 V CB 0.717 32.322 31.823 -0.363 0.000 0.934 315 V HN 0.926 nan 8.190 nan 0.000 0.485 319 P HA 0.043 nan 4.420 nan 0.000 0.215 319 P C 1.623 178.924 177.300 0.002 0.000 1.157 319 P CA 1.137 64.219 63.100 -0.031 0.000 0.874 319 P CB -0.203 31.481 31.700 -0.026 0.000 0.790 320 I N -0.192 120.411 120.570 0.055 0.000 2.546 320 I HA -0.135 4.035 4.170 0.001 0.000 0.255 320 I C 2.084 178.256 176.117 0.091 0.000 1.163 320 I CA 1.214 62.586 61.300 0.119 0.000 1.457 320 I CB -0.603 37.529 38.000 0.221 0.000 1.092 320 I HN -0.074 nan 8.210 nan 0.000 0.434 321 D N 0.588 121.002 120.400 0.024 0.000 2.178 321 D HA -0.055 4.586 4.640 0.001 0.000 0.202 321 D C 1.133 177.456 176.300 0.039 0.000 0.974 321 D CA 0.799 54.807 54.000 0.014 0.000 0.841 321 D CB 0.115 40.876 40.800 -0.065 0.000 0.953 321 D HN 0.230 nan 8.370 nan 0.000 0.478 325 R N 1.209 121.769 120.500 0.099 0.000 2.103 325 R HA 0.086 4.426 4.340 0.001 0.000 0.212 325 R C 1.197 177.540 176.300 0.072 0.000 1.107 325 R CA 1.124 57.266 56.100 0.070 0.000 1.025 325 R CB -0.148 30.188 30.300 0.061 0.000 0.929 325 R HN 0.014 nan 8.270 nan 0.000 0.456 326 D N 1.199 121.679 120.400 0.134 0.000 2.116 326 D HA -0.145 4.495 4.640 0.001 0.000 0.193 326 D C 2.010 178.320 176.300 0.017 0.000 0.998 326 D CA 1.441 55.536 54.000 0.158 0.000 0.836 326 D CB -0.250 40.755 40.800 0.343 0.000 0.951 326 D HN 0.091 nan 8.370 nan 0.000 0.449 327 V N 0.802 120.748 119.914 0.054 0.000 2.688 327 V HA -0.160 3.960 4.120 0.001 0.000 0.256 327 V C 2.273 178.234 176.094 -0.222 0.000 1.084 327 V CA 1.890 64.050 62.300 -0.233 0.000 1.103 327 V CB -0.649 31.191 31.823 0.028 0.000 0.688 327 V HN 0.255 nan 8.190 nan 0.000 0.480 328 G N -0.483 108.264 108.800 -0.089 0.000 2.454 328 G HA2 -0.113 3.847 3.960 0.001 0.000 0.214 328 G HA3 -0.113 3.847 3.960 0.001 0.000 0.214 328 G C 1.636 176.484 174.900 -0.087 0.000 1.217 328 G CA 0.637 45.691 45.100 -0.077 0.000 0.799 328 G HN 0.588 nan 8.290 nan 0.000 0.538 329 A N -0.139 122.646 122.820 -0.058 0.000 2.259 329 A HA 0.181 4.502 4.320 0.001 0.000 0.212 329 A C 1.965 179.506 177.584 -0.073 0.000 1.178 329 A CA 0.661 52.670 52.037 -0.046 0.000 0.734 329 A CB -0.268 18.724 19.000 -0.013 0.000 0.774 329 A HN 0.287 nan 8.150 nan 0.000 0.481 330 L N -0.304 120.835 121.223 -0.139 0.000 2.599 330 L HA 0.160 4.500 4.340 0.001 0.000 0.230 330 L C 1.808 178.596 176.870 -0.137 0.000 1.141 330 L CA 0.597 55.334 54.840 -0.171 0.000 0.877 330 L CB -1.029 40.820 42.059 -0.350 0.000 1.009 330 L HN 0.406 nan 8.230 nan 0.000 0.447 331 G N -0.281 108.454 108.800 -0.108 0.000 4.652 331 G HA2 -0.232 3.729 3.960 0.001 0.000 0.842 331 G HA3 -0.232 3.729 3.960 0.001 0.000 0.842 331 G C 0.679 175.529 174.900 -0.084 0.000 1.391 331 G CA 0.292 45.339 45.100 -0.088 0.000 0.981 331 G HN 0.493 nan 8.290 nan 0.000 0.677 332 S N -0.715 114.943 115.700 -0.070 0.000 2.650 332 S HA 0.545 5.015 4.470 0.001 0.000 0.251 332 S C 0.802 175.356 174.600 -0.075 0.000 1.325 332 S CA 0.656 58.810 58.200 -0.076 0.000 0.967 332 S CB 0.411 63.573 63.200 -0.064 0.000 1.000 332 S HN 2.741 nan 8.310 nan 0.000 0.584 333 G N -0.854 107.900 108.800 -0.077 0.000 2.770 333 G HA2 0.246 4.206 3.960 0.001 0.000 0.686 333 G HA3 0.246 4.206 3.960 0.001 0.000 0.686 333 G C -0.266 174.588 174.900 -0.078 0.000 1.180 333 G CA -0.278 44.781 45.100 -0.068 0.000 0.767 333 G HN 1.346 nan 8.290 nan 0.000 0.646 337 E N 5.033 125.210 120.200 -0.038 0.000 2.220 337 E HA 0.234 4.585 4.350 0.001 0.000 0.272 337 E C -0.468 176.113 176.600 -0.031 0.000 1.099 337 E CA -0.005 56.372 56.400 -0.037 0.000 0.907 337 E CB 1.359 31.042 29.700 -0.028 0.000 1.022 337 E HN 0.612 nan 8.360 nan 0.000 0.428 338 L N 2.713 123.913 121.223 -0.038 0.000 2.334 338 L HA 0.133 4.473 4.340 0.001 0.000 0.277 338 L C 0.426 177.309 176.870 0.021 0.000 1.075 338 L CA -0.697 54.143 54.840 0.000 0.000 0.804 338 L CB 1.087 43.164 42.059 0.030 0.000 1.174 338 L HN 0.416 nan 8.230 nan 0.000 0.438 339 D N 2.040 122.474 120.400 0.057 0.000 2.390 339 D HA -0.088 4.552 4.640 0.001 0.000 0.249 339 D C 0.877 177.251 176.300 0.123 0.000 1.144 339 D CA 0.193 54.233 54.000 0.066 0.000 0.880 339 D CB 0.669 41.505 40.800 0.060 0.000 1.182 339 D HN 0.355 nan 8.370 nan 0.000 0.451 340 N N 2.730 121.495 118.700 0.109 0.000 2.626 340 N HA -0.100 4.641 4.740 0.001 0.000 0.193 340 N C 0.372 175.998 175.510 0.193 0.000 1.213 340 N CA 0.537 53.696 53.050 0.181 0.000 0.914 340 N CB 0.127 38.684 38.487 0.117 0.000 0.994 340 N HN 0.528 nan 8.380 nan 0.000 0.447 341 A N -0.896 122.009 122.820 0.141 0.000 2.287 341 A HA 0.202 4.522 4.320 0.001 0.000 0.214 341 A C 1.956 179.595 177.584 0.092 0.000 1.228 341 A CA -0.023 52.069 52.037 0.093 0.000 0.939 341 A CB 0.462 19.499 19.000 0.061 0.000 0.992 341 A HN 0.077 nan 8.150 nan 0.000 0.502 342 K N -1.287 119.193 120.400 0.133 0.000 2.276 342 K HA 0.188 4.508 4.320 0.001 0.000 0.198 342 K C 1.474 178.204 176.600 0.217 0.000 1.052 342 K CA 0.618 56.987 56.287 0.137 0.000 0.984 342 K CB -0.146 32.422 32.500 0.114 0.000 0.836 342 K HN 0.356 nan 8.250 nan 0.000 0.490 343 F N 2.593 122.605 119.950 0.103 0.000 2.091 343 F HA -0.222 4.306 4.527 0.001 0.000 0.299 343 F C 1.528 177.385 175.800 0.095 0.000 1.103 343 F CA 1.767 59.859 58.000 0.154 0.000 1.228 343 F CB -0.125 38.932 39.000 0.095 0.000 0.984 343 F HN -0.026 nan 8.300 nan 0.000 0.477 344 Q N -0.586 119.054 119.800 -0.267 0.000 2.403 344 Q HA 0.227 4.568 4.340 0.001 0.000 0.203 344 Q C 1.774 177.641 176.000 -0.222 0.000 0.932 344 Q CA 0.411 55.949 55.803 -0.441 0.000 0.945 344 Q CB 0.040 28.607 28.738 -0.285 0.000 1.045 344 Q HN 0.509 nan 8.270 nan 0.000 0.511 345 A N -0.730 122.051 122.820 -0.066 0.000 2.169 345 A HA -0.022 4.298 4.320 0.001 0.000 0.210 345 A C 1.405 179.027 177.584 0.062 0.000 1.168 345 A CA -0.015 52.023 52.037 0.001 0.000 0.813 345 A CB -0.152 18.880 19.000 0.054 0.000 0.861 345 A HN 0.607 nan 8.150 nan 0.000 0.481 346 W N 0.109 121.343 121.300 -0.110 0.000 2.728 346 W HA 0.069 4.729 4.660 0.001 0.000 0.270 346 W C 2.031 178.486 176.519 -0.107 0.000 1.150 346 W CA 1.218 58.532 57.345 -0.051 0.000 1.518 346 W CB -0.341 29.123 29.460 0.007 0.000 1.069 346 W HN 0.351 nan 8.180 nan 0.000 0.590 347 Q N 0.401 119.752 119.800 -0.748 0.000 2.118 347 Q HA -0.255 4.086 4.340 0.001 0.000 0.211 347 Q C 1.951 177.521 176.000 -0.717 0.000 0.998 347 Q CA 2.893 57.952 55.803 -1.240 0.000 0.872 347 Q CB -0.534 27.289 28.738 -1.525 0.000 0.925 347 Q HN 0.227 nan 8.270 nan 0.000 0.414 348 S N -0.701 114.725 115.700 -0.456 0.000 2.453 348 S HA -0.010 4.460 4.470 0.001 0.000 0.231 348 S C 1.557 176.068 174.600 -0.149 0.000 1.005 348 S CA 0.727 58.779 58.200 -0.246 0.000 0.949 348 S CB -0.000 63.092 63.200 -0.181 0.000 0.774 348 S HN 0.654 nan 8.310 nan 0.000 0.510 349 G N -0.248 108.469 108.800 -0.140 0.000 2.623 349 G HA2 -0.039 3.921 3.960 0.001 0.000 0.214 349 G HA3 -0.039 3.921 3.960 0.001 0.000 0.214 349 G C 1.057 175.949 174.900 -0.014 0.000 1.138 349 G CA 0.017 45.105 45.100 -0.019 0.000 0.794 349 G HN 0.528 nan 8.290 nan 0.000 0.535 350 F N 0.970 120.715 119.950 -0.343 0.000 2.220 350 F HA 0.302 4.830 4.527 0.001 0.000 0.290 350 F C 2.508 178.254 175.800 -0.090 0.000 1.080 350 F CA 0.937 58.789 58.000 -0.247 0.000 1.318 350 F CB 0.159 38.804 39.000 -0.591 0.000 1.063 350 F HN -0.064 nan 8.300 nan 0.000 0.498 351 K N 0.393 120.826 120.400 0.055 0.000 2.209 351 K HA -0.094 4.226 4.320 0.001 0.000 0.204 351 K C 2.120 178.683 176.600 -0.061 0.000 1.048 351 K CA 0.953 57.263 56.287 0.038 0.000 0.940 351 K CB -0.397 32.133 32.500 0.050 0.000 0.729 351 K HN 0.351 nan 8.250 nan 0.000 0.451 352 A N 1.065 123.841 122.820 -0.073 0.000 2.070 352 A HA -0.165 4.156 4.320 0.001 0.000 0.220 352 A C 1.938 179.468 177.584 -0.089 0.000 1.159 352 A CA 1.188 53.187 52.037 -0.063 0.000 0.656 352 A CB -0.115 18.859 19.000 -0.043 0.000 0.800 352 A HN 0.186 nan 8.150 nan 0.000 0.453 353 Q N -0.226 119.481 119.800 -0.154 0.000 2.089 353 Q HA -0.066 4.274 4.340 0.001 0.000 0.195 353 Q C 1.808 177.658 176.000 -0.250 0.000 0.963 353 Q CA 1.259 56.945 55.803 -0.194 0.000 0.834 353 Q CB -0.495 28.091 28.738 -0.252 0.000 0.906 353 Q HN 0.794 nan 8.270 nan 0.000 0.452 354 E N 0.909 120.925 120.200 -0.305 0.000 2.147 354 E HA -0.252 4.099 4.350 0.001 0.000 0.199 354 E C 1.838 178.351 176.600 -0.145 0.000 1.005 354 E CA 1.252 57.489 56.400 -0.271 0.000 0.810 354 E CB 0.053 29.705 29.700 -0.080 0.000 0.736 354 E HN 0.223 nan 8.360 nan 0.000 0.460 355 E N 1.206 121.354 120.200 -0.086 0.000 2.023 355 E HA -0.185 4.165 4.350 0.001 0.000 0.196 355 E C 1.751 178.330 176.600 -0.034 0.000 1.003 355 E CA 1.372 57.749 56.400 -0.038 0.000 0.809 355 E CB -0.201 29.480 29.700 -0.032 0.000 0.755 355 E HN 0.181 nan 8.360 nan 0.000 0.449 356 N N 0.379 119.047 118.700 -0.052 0.000 2.011 356 N HA -0.223 4.518 4.740 0.001 0.000 0.199 356 N C 2.106 177.616 175.510 -0.001 0.000 1.047 356 N CA 1.712 54.744 53.050 -0.030 0.000 0.863 356 N CB -0.731 37.733 38.487 -0.039 0.000 1.056 356 N HN 0.200 nan 8.380 nan 0.000 0.427 357 L N 1.200 122.401 121.223 -0.037 0.000 2.021 357 L HA -0.238 4.103 4.340 0.001 0.000 0.215 357 L C 2.407 179.419 176.870 0.237 0.000 1.074 357 L CA 1.621 56.497 54.840 0.060 0.000 0.760 357 L CB -0.454 41.418 42.059 -0.311 0.000 0.889 357 L HN 0.214 nan 8.230 nan 0.000 0.433 358 K N -0.354 120.159 120.400 0.188 0.000 2.103 358 K HA -0.156 4.165 4.320 0.001 0.000 0.207 358 K C 1.929 178.542 176.600 0.022 0.000 1.048 358 K CA 1.420 57.803 56.287 0.159 0.000 0.930 358 K CB -0.196 32.373 32.500 0.115 0.000 0.716 358 K HN 0.300 nan 8.250 nan 0.000 0.444 359 N N 0.016 118.723 118.700 0.013 0.000 2.188 359 N HA -0.091 4.649 4.740 0.001 0.000 0.184 359 N C 1.657 177.138 175.510 -0.048 0.000 1.018 359 N CA 1.353 54.392 53.050 -0.019 0.000 0.858 359 N CB -0.261 38.217 38.487 -0.015 0.000 0.989 359 N HN 0.164 nan 8.380 nan 0.000 0.426 360 T N 1.897 116.423 114.554 -0.047 0.000 2.737 360 T HA -0.073 4.277 4.350 0.001 0.000 0.265 360 T C 2.067 176.600 174.700 -0.279 0.000 1.038 360 T CA 0.514 62.516 62.100 -0.163 0.000 1.144 360 T CB -0.332 68.428 68.868 -0.180 0.000 0.866 360 T HN 0.108 nan 8.240 nan 0.000 0.434 361 L N 1.047 122.167 121.223 -0.172 0.000 2.012 361 L HA -0.174 4.166 4.340 0.001 0.000 0.210 361 L C 2.555 179.336 176.870 -0.149 0.000 1.073 361 L CA 1.823 56.564 54.840 -0.165 0.000 0.748 361 L CB -0.508 41.388 42.059 -0.271 0.000 0.891 361 L HN 0.251 nan 8.230 nan 0.000 0.431 362 Q N -1.283 118.441 119.800 -0.126 0.000 2.084 362 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 362 Q C 2.068 178.027 176.000 -0.069 0.000 0.978 362 Q CA 2.141 57.894 55.803 -0.084 0.000 0.844 362 Q CB -0.326 28.372 28.738 -0.065 0.000 0.898 362 Q HN 0.569 nan 8.270 nan 0.000 0.426 363 T N 1.706 116.213 114.554 -0.078 0.000 2.595 363 T HA -0.157 4.193 4.350 0.001 0.000 0.264 363 T C 1.899 176.562 174.700 -0.060 0.000 1.058 363 T CA 1.204 63.266 62.100 -0.063 0.000 1.166 363 T CB -0.390 68.441 68.868 -0.061 0.000 0.863 363 T HN 0.178 nan 8.240 nan 0.000 0.415 364 L N 0.671 121.841 121.223 -0.089 0.000 2.127 364 L HA -0.147 4.194 4.340 0.001 0.000 0.211 364 L C 2.849 179.722 176.870 0.006 0.000 1.089 364 L CA 1.232 56.050 54.840 -0.037 0.000 0.757 364 L CB -1.069 40.914 42.059 -0.126 0.000 0.899 364 L HN 0.321 nan 8.230 nan 0.000 0.434 365 T N -1.558 112.990 114.554 -0.010 0.000 2.857 365 T HA -0.210 4.140 4.350 0.001 0.000 0.266 365 T C 1.859 176.587 174.700 0.047 0.000 1.048 365 T CA 1.176 63.309 62.100 0.054 0.000 1.139 365 T CB -0.060 68.820 68.868 0.019 0.000 0.874 365 T HN 0.194 nan 8.240 nan 0.000 0.455 366 Q N 1.201 120.985 119.800 -0.025 0.000 2.123 366 Q HA 0.025 4.366 4.340 0.001 0.000 0.199 366 Q C 2.160 178.083 176.000 -0.129 0.000 0.966 366 Q CA 1.330 57.095 55.803 -0.063 0.000 0.845 366 Q CB -0.083 28.621 28.738 -0.056 0.000 0.907 366 Q HN 0.228 nan 8.270 nan 0.000 0.439 367 K N -0.505 119.801 120.400 -0.157 0.000 2.097 367 K HA -0.184 4.137 4.320 0.001 0.000 0.206 367 K C 2.049 178.288 176.600 -0.602 0.000 1.049 367 K CA 1.427 57.508 56.287 -0.343 0.000 0.933 367 K CB -0.549 31.766 32.500 -0.309 0.000 0.717 367 K HN 0.353 nan 8.250 nan 0.000 0.442 368 Y N 2.427 122.434 120.300 -0.488 0.000 2.109 368 Y HA -0.268 4.283 4.550 0.001 0.000 0.285 368 Y C 2.656 178.416 175.900 -0.233 0.000 1.131 368 Y CA 2.081 59.960 58.100 -0.369 0.000 1.121 368 Y CB -0.836 37.547 38.460 -0.127 0.000 0.987 368 Y HN 0.149 nan 8.280 nan 0.000 0.495 369 S N 0.723 116.058 115.700 -0.610 0.000 2.374 369 S HA -0.271 4.199 4.470 0.001 0.000 0.227 369 S C 1.842 176.198 174.600 -0.406 0.000 1.037 369 S CA 1.675 59.516 58.200 -0.598 0.000 1.024 369 S CB -0.866 62.176 63.200 -0.264 0.000 0.861 369 S HN 0.620 nan 8.310 nan 0.000 0.456 370 N N 2.851 121.374 118.700 -0.295 0.000 2.084 370 N HA 0.014 4.754 4.740 0.001 0.000 0.190 370 N C 2.097 177.503 175.510 -0.173 0.000 1.030 370 N CA 1.675 54.612 53.050 -0.188 0.000 0.849 370 N CB -1.209 37.194 38.487 -0.139 0.000 1.012 370 N HN 0.645 nan 8.380 nan 0.000 0.423 371 A N 1.408 124.062 122.820 -0.276 0.000 1.940 371 A HA -0.180 4.141 4.320 0.001 0.000 0.219 371 A C 2.120 179.608 177.584 -0.161 0.000 1.176 371 A CA 1.534 53.427 52.037 -0.240 0.000 0.631 371 A CB -0.668 18.072 19.000 -0.433 0.000 0.814 371 A HN 0.373 nan 8.150 nan 0.000 0.446 372 N N 0.309 118.821 118.700 -0.314 0.000 2.142 372 N HA -0.156 4.585 4.740 0.001 0.000 0.186 372 N C 2.024 177.497 175.510 -0.063 0.000 1.023 372 N CA 1.963 54.879 53.050 -0.224 0.000 0.852 372 N CB -0.202 37.963 38.487 -0.537 0.000 0.998 372 N HN 0.495 nan 8.380 nan 0.000 0.424 373 S N 0.513 116.141 115.700 -0.119 0.000 2.419 373 S HA -0.110 4.361 4.470 0.001 0.000 0.233 373 S C 2.047 176.631 174.600 -0.027 0.000 1.016 373 S CA 0.695 58.853 58.200 -0.069 0.000 0.974 373 S CB -0.351 62.796 63.200 -0.088 0.000 0.786 373 S HN 0.339 nan 8.310 nan 0.000 0.492 374 L N 0.506 121.739 121.223 0.017 0.000 2.044 374 L HA 0.239 4.580 4.340 0.001 0.000 0.205 374 L C 1.972 178.885 176.870 0.071 0.000 1.075 374 L CA 1.739 56.601 54.840 0.036 0.000 0.747 374 L CB -1.553 40.603 42.059 0.161 0.000 0.903 374 L HN 0.335 nan 8.230 nan 0.000 0.435 375 F N 0.932 120.897 119.950 0.025 0.000 2.126 375 F HA -0.210 4.318 4.527 0.001 0.000 0.299 375 F C 2.192 177.986 175.800 -0.010 0.000 1.096 375 F CA 2.014 60.045 58.000 0.052 0.000 1.255 375 F CB -0.531 38.509 39.000 0.067 0.000 0.997 375 F HN 0.351 nan 8.300 nan 0.000 0.479 376 D N -0.042 120.352 120.400 -0.010 0.000 2.078 376 D HA -0.223 4.417 4.640 0.001 0.000 0.193 376 D C 2.031 178.225 176.300 -0.177 0.000 0.990 376 D CA 1.758 55.684 54.000 -0.123 0.000 0.827 376 D CB -0.426 40.348 40.800 -0.044 0.000 0.975 376 D HN 0.172 nan 8.370 nan 0.000 0.451 377 N N 0.040 118.663 118.700 -0.128 0.000 2.137 377 N HA -0.170 4.571 4.740 0.001 0.000 0.190 377 N C 1.825 177.235 175.510 -0.166 0.000 1.017 377 N CA 0.609 53.578 53.050 -0.134 0.000 0.859 377 N CB -0.415 37.996 38.487 -0.126 0.000 1.002 377 N HN 0.245 nan 8.380 nan 0.000 0.428 378 L N 1.391 122.491 121.223 -0.206 0.000 1.994 378 L HA -0.092 4.248 4.340 0.001 0.000 0.208 378 L C 2.194 178.951 176.870 -0.188 0.000 1.071 378 L CA 1.405 56.130 54.840 -0.192 0.000 0.745 378 L CB -0.966 40.998 42.059 -0.159 0.000 0.892 378 L HN -0.106 nan 8.230 nan 0.000 0.431 379 V N -0.265 119.439 119.914 -0.350 0.000 2.332 379 V HA -0.310 3.810 4.120 0.001 0.000 0.248 379 V C 2.704 178.671 176.094 -0.211 0.000 1.055 379 V CA 1.849 63.927 62.300 -0.369 0.000 1.038 379 V CB -0.741 30.729 31.823 -0.587 0.000 0.651 379 V HN 0.392 nan 8.190 nan 0.000 0.450 380 K N 0.255 120.548 120.400 -0.177 0.000 2.000 380 K HA -0.178 4.143 4.320 0.001 0.000 0.218 380 K C 1.976 178.541 176.600 -0.058 0.000 1.053 380 K CA 1.844 58.066 56.287 -0.109 0.000 0.946 380 K CB -1.180 31.263 32.500 -0.095 0.000 0.723 380 K HN 0.314 nan 8.250 nan 0.000 0.446 381 V N 0.781 120.666 119.914 -0.049 0.000 2.231 381 V HA -0.273 3.847 4.120 0.001 0.000 0.250 381 V C 2.190 178.313 176.094 0.049 0.000 1.058 381 V CA 1.747 64.044 62.300 -0.004 0.000 1.022 381 V CB -0.550 31.269 31.823 -0.007 0.000 0.640 381 V HN 0.229 nan 8.190 nan 0.000 0.445 382 L N 0.034 121.305 121.223 0.080 0.000 2.261 382 L HA -0.115 4.225 4.340 0.001 0.000 0.216 382 L C 2.542 179.520 176.870 0.180 0.000 1.114 382 L CA 2.000 56.956 54.840 0.194 0.000 0.777 382 L CB -1.384 40.854 42.059 0.300 0.000 0.910 382 L HN 0.419 nan 8.230 nan 0.000 0.440 383 S N -1.941 113.806 115.700 0.078 0.000 2.421 383 S HA -0.052 4.418 4.470 0.001 0.000 0.224 383 S C 2.150 176.776 174.600 0.044 0.000 1.035 383 S CA 1.024 59.254 58.200 0.050 0.000 0.953 383 S CB 0.136 63.320 63.200 -0.028 0.000 0.810 383 S HN 0.439 nan 8.310 nan 0.000 0.497 384 S N 0.903 116.624 115.700 0.034 0.000 2.356 384 S HA -0.084 4.386 4.470 0.001 0.000 0.223 384 S C 1.992 176.625 174.600 0.055 0.000 1.032 384 S CA 1.771 59.989 58.200 0.031 0.000 1.005 384 S CB -0.840 62.371 63.200 0.018 0.000 0.867 384 S HN 0.609 nan 8.310 nan 0.000 0.449 385 T N 2.752 117.357 114.554 0.085 0.000 2.622 385 T HA -0.023 4.327 4.350 0.001 0.000 0.266 385 T C 1.757 176.536 174.700 0.131 0.000 1.047 385 T CA 1.247 63.419 62.100 0.119 0.000 1.159 385 T CB -0.499 68.474 68.868 0.174 0.000 0.863 385 T HN 0.257 nan 8.240 nan 0.000 0.422 386 I N 0.864 121.518 120.570 0.140 0.000 2.145 386 I HA -0.253 3.917 4.170 0.001 0.000 0.244 386 I C 2.803 178.930 176.117 0.017 0.000 1.075 386 I CA 1.411 62.737 61.300 0.044 0.000 1.332 386 I CB -0.459 37.541 38.000 -0.000 0.000 1.033 386 I HN 0.272 nan 8.210 nan 0.000 0.410 387 S N -0.227 115.492 115.700 0.031 0.000 2.359 387 S HA -0.253 4.217 4.470 0.001 0.000 0.224 387 S C 2.275 176.895 174.600 0.035 0.000 1.035 387 S CA 2.104 60.319 58.200 0.024 0.000 1.018 387 S CB -0.356 62.857 63.200 0.022 0.000 0.876 387 S HN 0.500 nan 8.310 nan 0.000 0.448 388 S N -0.133 115.595 115.700 0.046 0.000 2.359 388 S HA -0.161 4.310 4.470 0.001 0.000 0.223 388 S C 2.157 176.804 174.600 0.078 0.000 1.039 388 S CA 1.777 60.011 58.200 0.056 0.000 1.042 388 S CB -1.123 62.112 63.200 0.059 0.000 0.915 388 S HN 0.784 nan 8.310 nan 0.000 0.439 389 C N 1.323 120.664 119.300 0.068 0.000 2.436 389 C HA -0.029 4.432 4.460 0.001 0.000 0.277 389 C C 2.526 177.605 174.990 0.148 0.000 1.241 389 C CA 0.945 60.018 59.018 0.092 0.000 1.721 389 C CB -1.708 25.880 27.740 -0.254 0.000 2.043 389 C HN 0.722 nan 8.230 nan 0.000 0.472 390 L N 1.819 123.075 121.223 0.054 0.000 2.129 390 L HA -0.099 4.241 4.340 0.001 0.000 0.212 390 L C 1.174 178.085 176.870 0.069 0.000 1.087 390 L CA 1.754 56.629 54.840 0.058 0.000 0.757 390 L CB -1.058 41.011 42.059 0.016 0.000 0.896 390 L HN 0.426 nan 8.230 nan 0.000 0.434 391 E N 0.978 121.218 120.200 0.067 0.000 1.972 391 E HA 0.223 4.573 4.350 0.001 0.000 0.292 391 E C -0.415 176.226 176.600 0.068 0.000 1.193 391 E CA 0.046 56.479 56.400 0.055 0.000 1.228 391 E CB -0.257 29.469 29.700 0.044 0.000 1.167 391 E HN 0.411 nan 8.360 nan 0.000 0.479 392 T N 0.000 114.597 114.554 0.072 0.000 3.816 392 T HA 0.000 4.351 4.350 0.001 0.000 0.228 392 T CA 0.000 62.137 62.100 0.062 0.000 1.349 392 T CB 0.000 68.921 68.868 0.088 0.000 0.612 392 T HN 0.000 nan 8.240 nan 0.000 0.658