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 2qvs_1_B DATA FIRST_RESID 91 DATA SEQUENCE TRRVSVCAET FNPDEEEEDX XXXVVHPKTD EQRCRLQEAC KDILLFKNLD DATA SEQUENCE QEQLSQVLDA MFEKIVKTDE HVIDQGDDGD NFYVIERGTY DILVTKDNQT DATA SEQUENCE RSVGQYDNRG SFGELALMYN TPRAATIIAT SEGSLWGLDR VTFRRIIVKN DATA SEQUENCE NAKKRKMFES FIESVPLFKS LEMSERMKIV DVIGEKIYKD GERIIAQGEK DATA SEQUENCE ADSFYIIESG EVSILIRSKT KSNKNGGNQE VEIAHCHKGQ YFGELALVTN DATA SEQUENCE KPRAASAYGV GDVKCLVMDV QAFERLLGPC MDIMKRNISH YEEQLVKMFG DATA SEQUENCE SN 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 91 T HA 0.000 nan 4.350 nan 0.000 0.228 91 T C 0.000 174.702 174.700 0.003 0.000 1.109 91 T CA 0.000 62.103 62.100 0.004 0.000 1.349 91 T CB 0.000 68.872 68.868 0.006 0.000 0.612 92 R N 2.048 122.549 120.500 0.001 0.000 2.504 92 R HA 0.147 4.488 4.340 0.001 0.000 0.291 92 R C 0.207 176.506 176.300 -0.002 0.000 0.974 92 R CA 0.252 56.352 56.100 -0.001 0.000 1.077 92 R CB 0.355 30.654 30.300 -0.002 0.000 0.926 92 R HN 0.368 nan 8.270 nan 0.000 0.407 93 R N 1.976 122.474 120.500 -0.005 0.000 2.265 93 R HA 0.137 4.478 4.340 0.001 0.000 0.314 93 R C 0.176 176.465 176.300 -0.017 0.000 1.053 93 R CA -0.525 55.570 56.100 -0.008 0.000 0.931 93 R CB 0.996 31.292 30.300 -0.008 0.000 1.024 93 R HN 0.430 nan 8.270 nan 0.000 0.457 94 V N 0.337 120.238 119.914 -0.022 0.000 2.785 94 V HA 0.387 4.508 4.120 0.001 0.000 0.300 94 V C 0.310 176.368 176.094 -0.060 0.000 1.062 94 V CA -0.749 61.531 62.300 -0.033 0.000 1.029 94 V CB 1.823 33.630 31.823 -0.027 0.000 1.024 94 V HN 0.668 nan 8.190 nan 0.000 0.477 95 S N 2.224 117.886 115.700 -0.064 0.000 2.593 95 S HA 0.605 5.076 4.470 0.001 0.000 0.269 95 S C 0.031 174.543 174.600 -0.146 0.000 1.334 95 S CA -0.005 58.140 58.200 -0.091 0.000 1.015 95 S CB 1.318 64.480 63.200 -0.064 0.000 0.912 95 S HN 1.583 nan 8.310 nan 0.000 0.541 96 V N -1.538 118.243 119.914 -0.221 0.000 3.074 96 V HA 0.929 5.050 4.120 0.001 0.000 0.314 96 V C -0.567 175.402 176.094 -0.209 0.000 1.117 96 V CA -0.864 61.219 62.300 -0.360 0.000 1.014 96 V CB 1.304 32.574 31.823 -0.921 0.000 1.057 96 V HN 1.008 nan 8.190 nan 0.000 0.438 97 C N 2.381 121.603 119.300 -0.130 0.000 3.046 97 C HA 0.841 5.302 4.460 0.001 0.000 0.388 97 C C 0.299 175.331 174.990 0.070 0.000 1.041 97 C CA 0.391 59.400 59.018 -0.016 0.000 1.241 97 C CB 0.489 28.224 27.740 -0.009 0.000 1.638 97 C HN 1.774 nan 8.230 nan 0.000 0.539 98 A N 4.425 127.309 122.820 0.107 0.000 2.242 98 A HA 0.772 5.093 4.320 0.001 0.000 0.304 98 A C -0.054 177.589 177.584 0.099 0.000 1.100 98 A CA -0.240 51.880 52.037 0.137 0.000 0.860 98 A CB 0.328 19.419 19.000 0.152 0.000 1.168 98 A HN 0.885 nan 8.150 nan 0.000 0.503 99 E N 0.898 121.157 120.200 0.098 0.000 2.360 99 E HA 0.234 4.585 4.350 0.001 0.000 0.269 99 E C -0.392 176.270 176.600 0.104 0.000 1.022 99 E CA -0.111 56.341 56.400 0.087 0.000 0.887 99 E CB -0.189 29.556 29.700 0.076 0.000 0.990 99 E HN 0.441 nan 8.360 nan 0.000 0.426 100 T N 2.350 116.963 114.554 0.099 0.000 2.813 100 T HA 0.376 4.727 4.350 0.001 0.000 0.297 100 T C -0.366 174.457 174.700 0.205 0.000 1.036 100 T CA -0.033 62.135 62.100 0.113 0.000 1.044 100 T CB 0.105 69.011 68.868 0.064 0.000 0.993 100 T HN 0.487 nan 8.240 nan 0.000 0.535 101 F N 1.455 121.402 119.950 -0.004 0.000 2.654 101 F HA 0.310 4.838 4.527 0.001 0.000 0.314 101 F C -1.147 174.643 175.800 -0.017 0.000 1.116 101 F CA -1.297 56.697 58.000 -0.010 0.000 1.017 101 F CB 1.147 40.138 39.000 -0.015 0.000 1.285 101 F HN 0.425 nan 8.300 nan 0.000 0.448 102 N N 7.906 126.124 118.700 -0.803 0.000 2.400 102 N HA 0.158 4.899 4.740 0.001 0.000 0.267 102 N C -1.718 172.927 175.510 -1.442 0.000 1.208 102 N CA -1.535 51.047 53.050 -0.781 0.000 0.951 102 N CB 0.986 39.238 38.487 -0.392 0.000 1.227 102 N HN 0.482 nan 8.380 nan 0.000 0.488 103 P HA -0.132 nan 4.420 nan 0.000 0.214 103 P C -0.417 176.672 177.300 -0.351 0.000 1.163 103 P CA 1.046 63.777 63.100 -0.615 0.000 0.889 103 P CB 0.069 31.606 31.700 -0.271 0.000 0.790 104 D N 2.657 122.896 120.400 -0.267 0.000 2.472 104 D HA -0.039 4.602 4.640 0.001 0.000 0.248 104 D C 0.882 177.113 176.300 -0.114 0.000 1.174 104 D CA 0.516 54.427 54.000 -0.149 0.000 0.883 104 D CB 0.330 41.056 40.800 -0.123 0.000 1.149 104 D HN 0.424 nan 8.370 nan 0.000 0.488 105 E N 3.125 123.299 120.200 -0.043 0.000 2.905 105 E HA -0.168 4.183 4.350 0.001 0.000 0.240 105 E C 0.105 176.707 176.600 0.004 0.000 0.990 105 E CA 0.401 56.807 56.400 0.011 0.000 0.954 105 E CB 0.465 30.171 29.700 0.010 0.000 0.908 105 E HN 0.376 nan 8.360 nan 0.000 0.532 106 E N 3.975 124.196 120.200 0.036 0.000 2.013 106 E HA -0.189 4.162 4.350 0.001 0.000 0.202 106 E C 0.183 176.794 176.600 0.018 0.000 1.018 106 E CA 1.594 58.010 56.400 0.027 0.000 0.834 106 E CB -0.000 29.739 29.700 0.065 0.000 0.770 106 E HN 0.661 nan 8.360 nan 0.000 0.459 107 E N -0.047 120.168 120.200 0.026 0.000 3.769 107 E HA 0.052 4.403 4.350 0.001 0.000 0.370 107 E C -1.736 174.874 176.600 0.016 0.000 1.080 107 E CA -0.111 56.297 56.400 0.014 0.000 0.692 107 E CB -0.193 29.513 29.700 0.009 0.000 1.258 107 E HN 0.036 nan 8.360 nan 0.000 0.514 108 E N 3.180 123.388 120.200 0.014 0.000 3.556 108 E HA -0.032 4.318 4.350 0.001 0.000 0.291 108 E C -0.412 176.193 176.600 0.009 0.000 0.761 108 E CA 1.549 57.954 56.400 0.010 0.000 1.045 108 E CB -0.190 29.513 29.700 0.005 0.000 0.825 108 E HN 0.454 nan 8.360 nan 0.000 0.541 115 V N 5.376 125.035 119.914 -0.425 0.000 2.357 115 V HA 0.637 4.758 4.120 0.001 0.000 0.281 115 V C -0.675 175.105 176.094 -0.523 0.000 1.015 115 V CA -0.127 61.974 62.300 -0.333 0.000 0.827 115 V CB 1.390 33.111 31.823 -0.170 0.000 1.018 115 V HN 0.958 nan 8.190 nan 0.000 0.432 116 H N 3.795 122.918 119.070 0.087 0.000 2.991 116 H HA 0.359 4.916 4.556 0.001 0.000 0.304 116 H C -2.659 172.723 175.328 0.090 0.000 1.040 116 H CA -2.089 54.042 56.048 0.137 0.000 1.410 116 H CB 1.939 31.831 29.762 0.216 0.000 1.529 116 H HN 0.406 nan 8.280 nan 0.000 0.509 117 P HA 0.070 nan 4.420 nan 0.000 0.265 117 P C -0.285 177.089 177.300 0.123 0.000 1.187 117 P CA 0.463 63.636 63.100 0.122 0.000 0.766 117 P CB 0.967 32.743 31.700 0.126 0.000 0.820 118 K N 0.606 121.028 120.400 0.037 0.000 2.561 118 K HA 0.300 4.621 4.320 0.001 0.000 0.254 118 K C -0.265 176.334 176.600 -0.001 0.000 0.942 118 K CA -0.685 55.594 56.287 -0.014 0.000 0.818 118 K CB 1.847 34.205 32.500 -0.237 0.000 1.306 118 K HN 0.479 nan 8.250 nan 0.000 0.435 119 T N -1.189 113.387 114.554 0.036 0.000 2.766 119 T HA 0.088 4.439 4.350 0.001 0.000 0.295 119 T C 0.816 175.518 174.700 0.003 0.000 1.024 119 T CA -0.146 61.972 62.100 0.029 0.000 1.018 119 T CB 0.614 69.513 68.868 0.052 0.000 1.002 119 T HN 0.400 nan 8.240 nan 0.000 0.532 120 D N 0.483 120.886 120.400 0.005 0.000 2.104 120 D HA -0.085 4.556 4.640 0.001 0.000 0.194 120 D C 2.044 178.342 176.300 -0.003 0.000 0.994 120 D CA 1.551 55.548 54.000 -0.004 0.000 0.830 120 D CB -0.194 40.607 40.800 0.002 0.000 0.959 120 D HN 0.797 nan 8.370 nan 0.000 0.452 121 E N 0.280 120.488 120.200 0.013 0.000 2.051 121 E HA -0.191 4.160 4.350 0.001 0.000 0.192 121 E C 2.227 178.839 176.600 0.021 0.000 0.991 121 E CA 0.863 57.275 56.400 0.019 0.000 0.799 121 E CB 0.003 29.721 29.700 0.031 0.000 0.748 121 E HN 0.353 nan 8.360 nan 0.000 0.449 122 Q N 0.177 119.998 119.800 0.036 0.000 2.030 122 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 122 Q C 2.284 178.244 176.000 -0.067 0.000 0.986 122 Q CA 1.300 57.132 55.803 0.048 0.000 0.843 122 Q CB -0.074 28.736 28.738 0.119 0.000 0.904 122 Q HN 0.176 nan 8.270 nan 0.000 0.420 123 R N -0.085 120.348 120.500 -0.111 0.000 2.081 123 R HA -0.156 4.185 4.340 0.001 0.000 0.235 123 R C 2.615 178.863 176.300 -0.087 0.000 1.131 123 R CA 1.344 57.355 56.100 -0.148 0.000 0.960 123 R CB -0.836 29.394 30.300 -0.118 0.000 0.856 123 R HN 0.388 nan 8.270 nan 0.000 0.436 124 C N 0.781 120.053 119.300 -0.047 0.000 2.425 124 C HA -0.074 4.386 4.460 0.001 0.000 0.277 124 C C 2.712 177.689 174.990 -0.022 0.000 1.280 124 C CA 0.786 59.788 59.018 -0.026 0.000 1.744 124 C CB -0.759 26.974 27.740 -0.011 0.000 1.989 124 C HN 0.381 nan 8.230 nan 0.000 0.491 125 R N -0.068 120.421 120.500 -0.018 0.000 2.115 125 R HA 0.079 4.420 4.340 0.001 0.000 0.226 125 R C 2.288 178.574 176.300 -0.025 0.000 1.100 125 R CA 1.241 57.337 56.100 -0.006 0.000 0.980 125 R CB -0.313 30.001 30.300 0.024 0.000 0.875 125 R HN 0.596 nan 8.270 nan 0.000 0.445 126 L N 0.223 121.409 121.223 -0.062 0.000 2.056 126 L HA -0.192 4.148 4.340 0.001 0.000 0.207 126 L C 2.451 179.287 176.870 -0.056 0.000 1.078 126 L CA 1.435 56.221 54.840 -0.089 0.000 0.749 126 L CB -0.344 41.597 42.059 -0.198 0.000 0.901 126 L HN 0.363 nan 8.230 nan 0.000 0.433 127 Q N -0.415 119.362 119.800 -0.039 0.000 2.061 127 Q HA -0.299 4.041 4.340 0.001 0.000 0.204 127 Q C 2.062 178.055 176.000 -0.013 0.000 0.984 127 Q CA 2.019 57.816 55.803 -0.009 0.000 0.846 127 Q CB -0.093 28.642 28.738 -0.005 0.000 0.902 127 Q HN 0.346 nan 8.270 nan 0.000 0.421 128 E N 0.780 120.970 120.200 -0.017 0.000 2.058 128 E HA -0.191 4.159 4.350 0.001 0.000 0.194 128 E C 1.700 178.284 176.600 -0.028 0.000 0.997 128 E CA 1.612 58.003 56.400 -0.015 0.000 0.801 128 E CB -0.311 29.383 29.700 -0.009 0.000 0.746 128 E HN 0.341 nan 8.360 nan 0.000 0.450 129 A N -0.611 122.184 122.820 -0.041 0.000 2.070 129 A HA -0.151 4.169 4.320 0.001 0.000 0.220 129 A C 2.207 179.735 177.584 -0.094 0.000 1.159 129 A CA 1.449 53.449 52.037 -0.062 0.000 0.656 129 A CB -0.569 18.385 19.000 -0.076 0.000 0.800 129 A HN 0.500 nan 8.150 nan 0.000 0.453 130 C N -1.330 117.904 119.300 -0.109 0.000 2.926 130 C HA 0.192 4.653 4.460 0.001 0.000 0.272 130 C C 2.246 177.177 174.990 -0.098 0.000 1.249 130 C CA -0.225 58.669 59.018 -0.205 0.000 1.691 130 C CB -0.728 26.866 27.740 -0.242 0.000 1.983 130 C HN 0.608 nan 8.230 nan 0.000 0.615 131 K N 1.606 121.986 120.400 -0.035 0.000 2.052 131 K HA -0.266 4.055 4.320 0.001 0.000 0.215 131 K C 1.374 177.974 176.600 -0.001 0.000 1.053 131 K CA 2.234 58.521 56.287 -0.001 0.000 0.934 131 K CB -0.205 32.294 32.500 -0.001 0.000 0.717 131 K HN 0.362 nan 8.250 nan 0.000 0.450 132 D N -0.089 120.298 120.400 -0.022 0.000 2.348 132 D HA 0.005 4.645 4.640 0.001 0.000 0.211 132 D C -0.006 176.276 176.300 -0.029 0.000 0.998 132 D CA 0.048 54.039 54.000 -0.015 0.000 0.873 132 D CB 0.236 41.030 40.800 -0.010 0.000 0.925 132 D HN -0.024 nan 8.370 nan 0.000 0.524 133 I N 3.239 123.760 120.570 -0.082 0.000 2.662 133 I HA -0.070 4.100 4.170 0.001 0.000 0.285 133 I C 2.090 178.207 176.117 0.000 0.000 1.161 133 I CA 0.124 61.351 61.300 -0.122 0.000 1.415 133 I CB 0.090 37.845 38.000 -0.408 0.000 1.385 133 I HN 0.133 nan 8.210 nan 0.000 0.552 134 L N 5.311 126.537 121.223 0.004 0.000 2.081 134 L HA -0.179 4.162 4.340 0.001 0.000 0.212 134 L C 1.867 178.785 176.870 0.081 0.000 1.080 134 L CA 1.631 56.494 54.840 0.038 0.000 0.754 134 L CB -0.458 41.614 42.059 0.022 0.000 0.893 134 L HN 0.509 nan 8.230 nan 0.000 0.433 135 L N -1.498 119.794 121.223 0.115 0.000 2.201 135 L HA -0.069 4.272 4.340 0.001 0.000 0.212 135 L C 2.212 179.171 176.870 0.148 0.000 1.105 135 L CA 0.939 55.863 54.840 0.139 0.000 0.775 135 L CB -0.369 41.736 42.059 0.078 0.000 0.913 135 L HN 0.245 nan 8.230 nan 0.000 0.440 136 F N -0.511 119.403 119.950 -0.059 0.000 2.437 136 F HA 0.038 4.566 4.527 0.001 0.000 0.288 136 F C 2.391 178.181 175.800 -0.017 0.000 1.085 136 F CA 0.115 58.099 58.000 -0.027 0.000 1.430 136 F CB -0.567 38.383 39.000 -0.083 0.000 1.120 136 F HN -0.131 nan 8.300 nan 0.000 0.556 137 K N 0.517 121.026 120.400 0.181 0.000 2.137 137 K HA -0.271 4.050 4.320 0.001 0.000 0.216 137 K C 0.400 177.037 176.600 0.062 0.000 1.052 137 K CA 2.243 58.585 56.287 0.090 0.000 0.939 137 K CB -0.241 32.293 32.500 0.057 0.000 0.724 137 K HN 0.195 nan 8.250 nan 0.000 0.465 138 N N 0.539 119.269 118.700 0.050 0.000 2.467 138 N HA 0.161 4.901 4.740 0.001 0.000 0.278 138 N C -0.937 174.582 175.510 0.014 0.000 1.306 138 N CA -0.058 53.009 53.050 0.028 0.000 0.905 138 N CB 0.549 39.048 38.487 0.020 0.000 1.236 138 N HN 0.117 nan 8.380 nan 0.000 0.509 139 L N 1.013 122.244 121.223 0.013 0.000 2.375 139 L HA 0.193 4.534 4.340 0.001 0.000 0.271 139 L C 0.608 177.473 176.870 -0.010 0.000 1.107 139 L CA -0.806 54.023 54.840 -0.019 0.000 0.806 139 L CB 0.708 42.737 42.059 -0.050 0.000 1.146 139 L HN 0.203 nan 8.230 nan 0.000 0.447 140 D N 0.414 120.802 120.400 -0.019 0.000 2.371 140 D HA -0.024 4.616 4.640 0.001 0.000 0.242 140 D C 0.744 177.038 176.300 -0.010 0.000 1.218 140 D CA -0.467 53.528 54.000 -0.008 0.000 0.945 140 D CB 0.596 41.393 40.800 -0.006 0.000 1.137 140 D HN 0.506 nan 8.370 nan 0.000 0.464 141 Q N -0.462 119.336 119.800 -0.003 0.000 2.045 141 Q HA -0.307 4.034 4.340 0.001 0.000 0.206 141 Q C 1.801 177.796 176.000 -0.010 0.000 0.991 141 Q CA 2.288 58.090 55.803 -0.002 0.000 0.851 141 Q CB -0.233 28.506 28.738 0.001 0.000 0.911 141 Q HN 0.629 nan 8.270 nan 0.000 0.418 142 E N -0.036 120.156 120.200 -0.013 0.000 2.038 142 E HA -0.238 4.113 4.350 0.001 0.000 0.195 142 E C 1.989 178.567 176.600 -0.036 0.000 1.000 142 E CA 2.140 58.528 56.400 -0.021 0.000 0.803 142 E CB -0.181 29.507 29.700 -0.019 0.000 0.750 142 E HN 0.554 nan 8.360 nan 0.000 0.448 143 Q N -0.382 119.387 119.800 -0.052 0.000 2.096 143 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 143 Q C 2.280 178.236 176.000 -0.073 0.000 0.982 143 Q CA 1.385 57.138 55.803 -0.083 0.000 0.850 143 Q CB -0.315 28.354 28.738 -0.115 0.000 0.901 143 Q HN 0.274 nan 8.270 nan 0.000 0.422 144 L N 0.658 121.854 121.223 -0.044 0.000 2.083 144 L HA -0.183 4.158 4.340 0.001 0.000 0.209 144 L C 2.414 179.282 176.870 -0.003 0.000 1.083 144 L CA 2.027 56.861 54.840 -0.011 0.000 0.752 144 L CB -0.748 41.324 42.059 0.021 0.000 0.899 144 L HN 0.146 nan 8.230 nan 0.000 0.433 145 S N -1.248 114.443 115.700 -0.015 0.000 2.355 145 S HA -0.225 4.246 4.470 0.001 0.000 0.222 145 S C 1.916 176.503 174.600 -0.021 0.000 1.031 145 S CA 1.390 59.579 58.200 -0.018 0.000 0.993 145 S CB -0.275 62.914 63.200 -0.018 0.000 0.859 145 S HN 0.675 nan 8.310 nan 0.000 0.453 146 Q N 0.119 119.902 119.800 -0.028 0.000 2.124 146 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 146 Q C 2.346 178.337 176.000 -0.015 0.000 0.977 146 Q CA 1.624 57.410 55.803 -0.028 0.000 0.850 146 Q CB -0.407 28.303 28.738 -0.047 0.000 0.901 146 Q HN 0.474 nan 8.270 nan 0.000 0.429 147 V N 1.376 121.280 119.914 -0.017 0.000 2.307 147 V HA -0.235 3.886 4.120 0.001 0.000 0.245 147 V C 2.229 178.356 176.094 0.055 0.000 1.045 147 V CA 1.446 63.762 62.300 0.027 0.000 1.024 147 V CB -0.452 31.378 31.823 0.012 0.000 0.651 147 V HN 0.345 nan 8.190 nan 0.000 0.449 148 L N -0.343 120.894 121.223 0.024 0.000 2.083 148 L HA -0.177 4.164 4.340 0.001 0.000 0.209 148 L C 2.361 179.194 176.870 -0.063 0.000 1.083 148 L CA 1.451 56.269 54.840 -0.037 0.000 0.752 148 L CB -0.851 41.163 42.059 -0.075 0.000 0.899 148 L HN 0.356 nan 8.230 nan 0.000 0.433 149 D N 0.688 121.075 120.400 -0.022 0.000 2.104 149 D HA -0.180 4.461 4.640 0.001 0.000 0.194 149 D C 2.180 178.535 176.300 0.092 0.000 0.994 149 D CA 1.631 55.633 54.000 0.004 0.000 0.830 149 D CB -0.019 40.783 40.800 0.002 0.000 0.959 149 D HN 0.299 nan 8.370 nan 0.000 0.452 150 A N 0.344 123.231 122.820 0.111 0.000 2.172 150 A HA -0.038 4.283 4.320 0.001 0.000 0.216 150 A C 1.208 178.953 177.584 0.268 0.000 1.154 150 A CA 0.299 52.466 52.037 0.216 0.000 0.701 150 A CB -0.480 18.610 19.000 0.150 0.000 0.789 150 A HN 0.176 nan 8.150 nan 0.000 0.465 151 M N 1.464 121.132 119.600 0.114 0.000 2.251 151 M HA 0.304 4.784 4.480 0.001 0.000 0.346 151 M C -0.421 175.891 176.300 0.021 0.000 1.499 151 M CA -0.182 55.113 55.300 -0.008 0.000 1.128 151 M CB -0.061 32.478 32.600 -0.103 0.000 1.809 151 M HN 0.451 nan 8.290 nan 0.000 0.464 152 F N 0.516 120.408 119.950 -0.096 0.000 2.377 152 F HA 0.583 5.111 4.527 0.002 0.000 0.328 152 F C 0.126 176.005 175.800 0.131 0.000 1.094 152 F CA -1.145 56.646 58.000 -0.347 0.000 1.093 152 F CB 0.475 39.079 39.000 -0.661 0.000 1.214 152 F HN 0.520 nan 8.300 nan 0.000 0.518 153 E N 2.036 122.373 120.200 0.229 0.000 2.313 153 E HA 0.243 4.594 4.350 0.001 0.000 0.272 153 E C -1.236 175.361 176.600 -0.006 0.000 1.038 153 E CA -0.856 55.404 56.400 -0.233 0.000 0.863 153 E CB 1.048 30.460 29.700 -0.480 0.000 1.060 153 E HN 0.749 nan 8.360 nan 0.000 0.402 154 K N 5.701 126.022 120.400 -0.132 0.000 2.579 154 K HA 0.258 4.579 4.320 0.001 0.000 0.250 154 K C -1.086 175.465 176.600 -0.081 0.000 0.952 154 K CA -0.711 55.587 56.287 0.018 0.000 0.857 154 K CB 0.691 33.281 32.500 0.149 0.000 1.123 154 K HN 0.420 nan 8.250 nan 0.000 0.433 155 I N 4.186 124.724 120.570 -0.054 0.000 2.472 155 I HA 0.296 4.467 4.170 0.001 0.000 0.290 155 I C -0.043 176.055 176.117 -0.031 0.000 1.016 155 I CA -0.778 60.484 61.300 -0.064 0.000 1.348 155 I CB 1.383 39.351 38.000 -0.053 0.000 1.417 155 I HN 0.343 nan 8.210 nan 0.000 0.521 156 V N 6.103 125.997 119.914 -0.033 0.000 2.709 156 V HA 0.369 4.489 4.120 0.001 0.000 0.308 156 V C -0.057 176.008 176.094 -0.048 0.000 1.062 156 V CA -1.028 61.258 62.300 -0.022 0.000 0.901 156 V CB 2.283 34.114 31.823 0.014 0.000 1.003 156 V HN 0.787 nan 8.190 nan 0.000 0.425 157 K N 1.170 121.545 120.400 -0.042 0.000 2.098 157 K HA 0.590 4.911 4.320 0.001 0.000 0.258 157 K C 0.077 176.638 176.600 -0.066 0.000 0.973 157 K CA -0.376 55.879 56.287 -0.053 0.000 0.898 157 K CB 1.594 34.072 32.500 -0.038 0.000 1.057 157 K HN 0.563 nan 8.250 nan 0.000 0.447 158 T N 0.850 115.357 114.554 -0.078 0.000 2.946 158 T HA -0.047 4.303 4.350 0.001 0.000 0.312 158 T C 0.192 174.861 174.700 -0.052 0.000 1.066 158 T CA 1.213 63.261 62.100 -0.087 0.000 1.138 158 T CB -0.260 68.560 68.868 -0.080 0.000 1.014 158 T HN 0.869 nan 8.240 nan 0.000 0.544 159 D N 0.554 120.931 120.400 -0.040 0.000 2.876 159 D HA -0.144 4.497 4.640 0.001 0.000 0.196 159 D C 0.070 176.405 176.300 0.058 0.000 1.014 159 D CA 1.580 55.584 54.000 0.007 0.000 1.012 159 D CB -1.069 39.727 40.800 -0.007 0.000 1.080 159 D HN 0.912 nan 8.370 nan 0.000 0.438 160 E N 0.237 120.460 120.200 0.038 0.000 2.343 160 E HA 0.159 4.510 4.350 0.001 0.000 0.269 160 E C -0.343 176.372 176.600 0.192 0.000 1.047 160 E CA -0.310 56.129 56.400 0.066 0.000 0.874 160 E CB 0.509 30.218 29.700 0.016 0.000 1.033 160 E HN 0.317 nan 8.360 nan 0.000 0.409 161 H N 3.452 122.510 119.070 -0.020 0.000 2.652 161 H HA 0.091 4.648 4.556 0.001 0.000 0.298 161 H C 0.918 176.228 175.328 -0.029 0.000 1.076 161 H CA -0.860 55.175 56.048 -0.021 0.000 1.360 161 H CB 1.355 31.105 29.762 -0.020 0.000 1.421 161 H HN 0.364 nan 8.280 nan 0.000 0.464 162 V N 5.046 124.990 119.914 0.051 0.000 2.255 162 V HA -0.129 3.991 4.120 0.001 0.000 0.243 162 V C 1.029 177.088 176.094 -0.058 0.000 1.038 162 V CA 1.472 63.738 62.300 -0.057 0.000 1.008 162 V CB -0.119 31.642 31.823 -0.104 0.000 0.645 162 V HN 0.619 nan 8.190 nan 0.000 0.449 163 I N -3.046 117.490 120.570 -0.057 0.000 2.828 163 I HA 0.644 4.815 4.170 0.001 0.000 0.302 163 I C -1.693 174.412 176.117 -0.020 0.000 1.101 163 I CA -0.776 60.525 61.300 0.001 0.000 1.031 163 I CB 2.691 40.707 38.000 0.028 0.000 1.231 163 I HN -0.088 nan 8.210 nan 0.000 0.427 164 D N 4.008 124.426 120.400 0.029 0.000 2.505 164 D HA 0.183 4.824 4.640 0.001 0.000 0.249 164 D C -0.907 175.404 176.300 0.018 0.000 1.082 164 D CA -0.265 53.748 54.000 0.023 0.000 0.839 164 D CB 2.559 43.419 40.800 0.100 0.000 1.317 164 D HN 0.648 nan 8.370 nan 0.000 0.497 165 Q N 0.441 120.235 119.800 -0.009 0.000 2.310 165 Q HA 0.168 4.509 4.340 0.001 0.000 0.315 165 Q C 1.088 177.102 176.000 0.023 0.000 1.081 165 Q CA 1.409 57.212 55.803 0.002 0.000 0.981 165 Q CB 0.378 29.108 28.738 -0.013 0.000 1.184 165 Q HN 0.844 nan 8.270 nan 0.000 0.389 166 G N 3.234 112.053 108.800 0.031 0.000 2.383 166 G HA2 -0.257 3.703 3.960 0.001 0.000 0.229 166 G HA3 -0.257 3.703 3.960 0.001 0.000 0.229 166 G C -0.302 174.627 174.900 0.048 0.000 1.089 166 G CA 0.120 45.243 45.100 0.038 0.000 0.640 166 G HN 0.705 nan 8.290 nan 0.000 0.510 167 D N 2.360 122.792 120.400 0.053 0.000 2.400 167 D HA 0.440 5.081 4.640 0.001 0.000 0.238 167 D C 0.423 176.766 176.300 0.072 0.000 1.157 167 D CA 0.031 54.069 54.000 0.063 0.000 0.889 167 D CB 0.404 41.246 40.800 0.070 0.000 1.199 167 D HN 0.247 nan 8.370 nan 0.000 0.436 168 D N -0.300 120.144 120.400 0.073 0.000 2.399 168 D HA 0.410 5.050 4.640 0.001 0.000 0.241 168 D C 0.453 176.809 176.300 0.095 0.000 1.133 168 D CA 0.144 54.192 54.000 0.081 0.000 0.890 168 D CB 0.843 41.688 40.800 0.075 0.000 1.201 168 D HN 0.299 nan 8.370 nan 0.000 0.432 169 G N 0.359 109.216 108.800 0.095 0.000 2.415 169 G HA2 0.421 4.381 3.960 0.001 0.000 0.327 169 G HA3 0.421 4.381 3.960 0.001 0.000 0.327 169 G C -0.190 174.764 174.900 0.091 0.000 1.182 169 G CA -0.515 44.650 45.100 0.108 0.000 0.924 169 G HN 0.273 nan 8.290 nan 0.000 0.470 170 D N 0.136 120.596 120.400 0.100 0.000 2.399 170 D HA 0.067 4.707 4.640 0.001 0.000 0.269 170 D C 0.281 176.613 176.300 0.054 0.000 1.105 170 D CA 0.251 54.298 54.000 0.079 0.000 0.844 170 D CB 0.672 41.524 40.800 0.088 0.000 1.372 170 D HN 0.463 nan 8.370 nan 0.000 0.517 171 N N -0.361 118.353 118.700 0.022 0.000 2.381 171 N HA 0.487 5.227 4.740 0.001 0.000 0.294 171 N C -1.361 173.967 175.510 -0.304 0.000 1.216 171 N CA -0.720 52.225 53.050 -0.176 0.000 0.803 171 N CB 2.010 40.276 38.487 -0.368 0.000 1.372 171 N HN -0.144 nan 8.380 nan 0.000 0.500 172 F N 1.181 120.778 119.950 -0.587 0.000 2.508 172 F HA 0.585 5.113 4.527 0.001 0.000 0.325 172 F C -1.588 173.734 175.800 -0.796 0.000 1.090 172 F CA -0.742 56.952 58.000 -0.510 0.000 0.945 172 F CB 0.740 39.529 39.000 -0.351 0.000 1.156 172 F HN 0.413 nan 8.300 nan 0.000 0.463 173 Y N 4.011 123.485 120.300 -1.377 0.000 2.462 173 Y HA 0.680 5.231 4.550 0.001 0.000 0.346 173 Y C -0.852 174.131 175.900 -1.528 0.000 0.976 173 Y CA -1.287 56.041 58.100 -1.287 0.000 1.044 173 Y CB 2.009 39.829 38.460 -1.066 0.000 1.230 173 Y HN 0.411 nan 8.280 nan 0.000 0.455 174 V N 4.555 124.006 119.914 -0.772 0.000 2.495 174 V HA 0.392 4.513 4.120 0.001 0.000 0.298 174 V C -0.044 175.814 176.094 -0.393 0.000 1.031 174 V CA -0.969 60.993 62.300 -0.563 0.000 0.871 174 V CB 1.715 33.385 31.823 -0.255 0.000 0.988 174 V HN 0.617 nan 8.190 nan 0.000 0.432 175 I N 3.389 123.707 120.570 -0.420 0.000 2.529 175 I HA 0.182 4.353 4.170 0.001 0.000 0.284 175 I C 1.139 177.178 176.117 -0.130 0.000 1.082 175 I CA 0.275 61.386 61.300 -0.316 0.000 1.406 175 I CB 1.255 39.038 38.000 -0.361 0.000 1.405 175 I HN 0.818 nan 8.210 nan 0.000 0.548 176 E N 6.027 126.159 120.200 -0.114 0.000 2.228 176 E HA 0.211 4.562 4.350 0.001 0.000 0.197 176 E C -0.040 176.553 176.600 -0.012 0.000 0.909 176 E CA 0.629 56.996 56.400 -0.055 0.000 0.911 176 E CB 0.617 30.166 29.700 -0.251 0.000 0.887 176 E HN 0.548 nan 8.360 nan 0.000 0.481 177 R N -1.350 119.150 120.500 -0.001 0.000 2.710 177 R HA 0.639 4.980 4.340 0.001 0.000 0.270 177 R C -0.802 175.559 176.300 0.102 0.000 1.021 177 R CA -0.616 55.505 56.100 0.034 0.000 0.889 177 R CB 2.046 32.340 30.300 -0.010 0.000 1.243 177 R HN 0.295 nan 8.270 nan 0.000 0.464 178 G N 0.395 109.229 108.800 0.058 0.000 2.603 178 G HA2 -0.089 3.871 3.960 0.001 0.000 0.686 178 G HA3 -0.089 3.871 3.960 0.001 0.000 0.686 178 G C -0.833 174.076 174.900 0.016 0.000 1.286 178 G CA -0.505 44.570 45.100 -0.042 0.000 0.871 178 G HN 0.771 nan 8.290 nan 0.000 0.568 179 T N -1.850 112.562 114.554 -0.237 0.000 2.908 179 T HA 0.822 5.172 4.350 0.001 0.000 0.290 179 T C -1.007 173.483 174.700 -0.351 0.000 1.034 179 T CA -0.759 61.302 62.100 -0.066 0.000 1.010 179 T CB 2.248 71.091 68.868 -0.042 0.000 1.068 179 T HN 1.257 nan 8.240 nan 0.000 0.481 180 Y N -0.773 119.572 120.300 0.074 0.000 2.544 180 Y HA 0.545 5.096 4.550 0.001 0.000 0.342 180 Y C -0.795 175.117 175.900 0.020 0.000 1.062 180 Y CA -1.343 56.791 58.100 0.057 0.000 1.023 180 Y CB 1.803 40.336 38.460 0.121 0.000 1.308 180 Y HN 0.623 nan 8.280 nan 0.000 0.457 181 D N 2.416 122.875 120.400 0.099 0.000 2.192 181 D HA 0.534 5.174 4.640 0.001 0.000 0.246 181 D C -0.547 175.718 176.300 -0.058 0.000 1.042 181 D CA -0.204 53.791 54.000 -0.007 0.000 0.847 181 D CB 2.096 42.872 40.800 -0.040 0.000 1.186 181 D HN 0.401 nan 8.370 nan 0.000 0.461 182 I N 1.996 122.492 120.570 -0.123 0.000 2.377 182 I HA 0.339 4.509 4.170 0.001 0.000 0.293 182 I C -0.633 175.400 176.117 -0.140 0.000 0.987 182 I CA -0.769 60.431 61.300 -0.168 0.000 1.185 182 I CB 1.035 38.890 38.000 -0.241 0.000 1.341 182 I HN -0.007 nan 8.210 nan 0.000 0.455 183 L N 6.854 127.995 121.223 -0.138 0.000 2.381 183 L HA 0.638 4.979 4.340 0.001 0.000 0.268 183 L C -0.611 176.203 176.870 -0.093 0.000 0.997 183 L CA -0.657 54.117 54.840 -0.109 0.000 0.818 183 L CB 2.146 44.139 42.059 -0.110 0.000 1.310 183 L HN 0.229 nan 8.230 nan 0.000 0.416 184 V N 0.876 120.748 119.914 -0.070 0.000 2.525 184 V HA 0.486 4.606 4.120 0.001 0.000 0.299 184 V C -0.470 175.601 176.094 -0.038 0.000 1.034 184 V CA -0.502 61.767 62.300 -0.052 0.000 0.863 184 V CB 2.196 33.991 31.823 -0.046 0.000 0.999 184 V HN 0.787 nan 8.190 nan 0.000 0.423 185 T N 5.448 119.984 114.554 -0.030 0.000 2.744 185 T HA 0.361 4.712 4.350 0.001 0.000 0.291 185 T C -0.239 174.453 174.700 -0.013 0.000 0.957 185 T CA -0.319 61.769 62.100 -0.020 0.000 1.002 185 T CB 0.654 69.513 68.868 -0.015 0.000 0.919 185 T HN 0.580 nan 8.240 nan 0.000 0.468 186 K N 4.261 124.655 120.400 -0.011 0.000 2.425 186 K HA 0.337 4.658 4.320 0.001 0.000 0.259 186 K C -0.506 176.091 176.600 -0.005 0.000 0.978 186 K CA -0.469 55.814 56.287 -0.007 0.000 0.883 186 K CB 0.506 33.001 32.500 -0.008 0.000 1.110 186 K HN 0.652 nan 8.250 nan 0.000 0.436 187 D N 2.105 122.504 120.400 -0.001 0.000 3.497 187 D HA -0.309 4.331 4.640 0.001 0.000 0.178 187 D C 0.310 176.609 176.300 -0.001 0.000 1.185 187 D CA 1.111 55.111 54.000 -0.000 0.000 1.091 187 D CB -0.493 40.306 40.800 -0.001 0.000 0.574 187 D HN 0.734 nan 8.370 nan 0.000 0.650 188 N N 1.245 119.944 118.700 -0.002 0.000 2.521 188 N HA -0.049 4.691 4.740 0.001 0.000 0.188 188 N C 0.001 175.508 175.510 -0.005 0.000 1.146 188 N CA 0.791 53.840 53.050 -0.002 0.000 0.893 188 N CB 0.176 38.662 38.487 -0.001 0.000 0.975 188 N HN 0.294 nan 8.380 nan 0.000 0.451 189 Q N -0.436 119.360 119.800 -0.007 0.000 2.312 189 Q HA 0.344 4.685 4.340 0.001 0.000 0.263 189 Q C -1.171 174.820 176.000 -0.014 0.000 0.995 189 Q CA -0.576 55.221 55.803 -0.010 0.000 0.853 189 Q CB 1.285 30.016 28.738 -0.011 0.000 1.300 189 Q HN 0.083 nan 8.270 nan 0.000 0.448 190 T N 4.222 118.766 114.554 -0.017 0.000 2.786 190 T HA 0.502 4.853 4.350 0.001 0.000 0.283 190 T C -0.888 173.795 174.700 -0.029 0.000 0.992 190 T CA -0.588 61.497 62.100 -0.024 0.000 0.954 190 T CB 0.682 69.535 68.868 -0.024 0.000 0.934 190 T HN 0.478 nan 8.240 nan 0.000 0.440 191 R N 1.722 122.200 120.500 -0.036 0.000 2.494 191 R HA 0.505 4.846 4.340 0.001 0.000 0.305 191 R C -0.163 176.107 176.300 -0.051 0.000 0.959 191 R CA -0.711 55.365 56.100 -0.039 0.000 0.864 191 R CB 1.586 31.865 30.300 -0.036 0.000 1.159 191 R HN 0.438 nan 8.270 nan 0.000 0.446 192 S N 2.411 118.080 115.700 -0.051 0.000 2.701 192 S HA 0.032 4.502 4.470 0.001 0.000 0.317 192 S C 1.473 176.034 174.600 -0.066 0.000 1.149 192 S CA -0.598 57.565 58.200 -0.062 0.000 1.052 192 S CB 0.044 63.212 63.200 -0.052 0.000 1.257 192 S HN 0.543 nan 8.310 nan 0.000 0.532 193 V N 2.921 122.788 119.914 -0.078 0.000 2.591 193 V HA 0.450 4.571 4.120 0.001 0.000 0.249 193 V C 0.996 177.030 176.094 -0.101 0.000 1.053 193 V CA 1.128 63.379 62.300 -0.081 0.000 1.068 193 V CB -0.962 30.813 31.823 -0.080 0.000 0.689 193 V HN 0.702 nan 8.190 nan 0.000 0.462 194 G N -0.966 107.753 108.800 -0.135 0.000 2.576 194 G HA2 0.636 4.597 3.960 0.001 0.000 0.290 194 G HA3 0.636 4.597 3.960 0.001 0.000 0.290 194 G C -2.049 172.728 174.900 -0.206 0.000 1.442 194 G CA -0.821 44.176 45.100 -0.171 0.000 0.792 194 G HN 0.312 nan 8.290 nan 0.000 0.491 195 Q N -0.948 118.731 119.800 -0.202 0.000 2.458 195 Q HA 0.699 5.040 4.340 0.001 0.000 0.282 195 Q C -1.675 174.225 176.000 -0.168 0.000 1.106 195 Q CA -0.659 55.059 55.803 -0.140 0.000 0.814 195 Q CB 2.640 31.357 28.738 -0.035 0.000 1.425 195 Q HN 0.603 nan 8.270 nan 0.000 0.437 196 Y N -0.156 120.195 120.300 0.084 0.000 2.409 196 Y HA 0.440 4.990 4.550 0.001 0.000 0.343 196 Y C -0.638 175.351 175.900 0.149 0.000 0.973 196 Y CA -0.921 57.243 58.100 0.106 0.000 1.064 196 Y CB 2.020 40.545 38.460 0.108 0.000 1.207 196 Y HN 0.517 nan 8.280 nan 0.000 0.452 197 D N 3.736 124.303 120.400 0.279 0.000 2.404 197 D HA 0.192 4.833 4.640 0.001 0.000 0.267 197 D C -0.298 176.093 176.300 0.151 0.000 1.194 197 D CA -0.191 53.918 54.000 0.181 0.000 0.910 197 D CB -0.182 40.682 40.800 0.106 0.000 1.090 197 D HN 0.678 nan 8.370 nan 0.000 0.511 198 N N 2.118 120.923 118.700 0.176 0.000 2.741 198 N HA -0.221 4.520 4.740 0.001 0.000 0.251 198 N C -0.523 175.024 175.510 0.061 0.000 1.112 198 N CA 0.830 53.948 53.050 0.113 0.000 0.750 198 N CB -0.418 38.114 38.487 0.075 0.000 1.119 198 N HN 0.606 nan 8.380 nan 0.000 0.561 199 R N -0.644 119.889 120.500 0.055 0.000 2.668 199 R HA 0.701 5.042 4.340 0.001 0.000 0.272 199 R C 0.173 176.421 176.300 -0.087 0.000 1.019 199 R CA -0.133 55.969 56.100 0.003 0.000 0.894 199 R CB 2.312 32.646 30.300 0.056 0.000 1.228 199 R HN 0.180 nan 8.270 nan 0.000 0.460 200 G N 0.356 109.047 108.800 -0.182 0.000 2.347 200 G HA2 0.234 4.195 3.960 0.001 0.000 0.477 200 G HA3 0.234 4.195 3.960 0.001 0.000 0.477 200 G C -1.419 173.191 174.900 -0.484 0.000 1.349 200 G CA -0.379 44.505 45.100 -0.359 0.000 1.000 200 G HN 0.872 nan 8.290 nan 0.000 0.605 201 S N -1.312 114.110 115.700 -0.463 0.000 2.567 201 S HA 0.990 5.461 4.470 0.001 0.000 0.270 201 S C -0.999 173.405 174.600 -0.327 0.000 1.152 201 S CA -0.117 57.705 58.200 -0.630 0.000 0.835 201 S CB 2.215 65.193 63.200 -0.369 0.000 1.115 201 S HN 2.400 nan 8.310 nan 0.000 0.459 202 F N -2.513 117.276 119.950 -0.267 0.000 2.769 202 F HA 0.788 5.316 4.527 0.001 0.000 0.313 202 F C 0.471 176.311 175.800 0.067 0.000 1.146 202 F CA -0.276 57.717 58.000 -0.012 0.000 0.934 202 F CB 0.757 39.760 39.000 0.005 0.000 1.283 202 F HN 1.676 nan 8.300 nan 0.000 0.443 203 G N 0.878 109.929 108.800 0.418 0.000 2.131 203 G HA2 -0.252 3.709 3.960 0.001 0.000 0.223 203 G HA3 -0.252 3.709 3.960 0.001 0.000 0.223 203 G C 0.337 175.410 174.900 0.288 0.000 0.990 203 G CA 0.352 45.653 45.100 0.335 0.000 0.671 203 G HN 0.925 nan 8.290 nan 0.000 0.521 204 E N -0.261 120.115 120.200 0.295 0.000 2.130 204 E HA -0.118 4.233 4.350 0.001 0.000 0.196 204 E C 2.362 178.894 176.600 -0.113 0.000 0.998 204 E CA 1.314 57.696 56.400 -0.030 0.000 0.806 204 E CB -0.202 29.404 29.700 -0.157 0.000 0.738 204 E HN 0.561 nan 8.360 nan 0.000 0.459 205 L N 0.781 121.965 121.223 -0.064 0.000 2.079 205 L HA -0.138 4.203 4.340 0.001 0.000 0.210 205 L C 2.118 178.846 176.870 -0.236 0.000 1.081 205 L CA 1.942 56.681 54.840 -0.167 0.000 0.752 205 L CB -0.873 41.111 42.059 -0.125 0.000 0.896 205 L HN 0.171 nan 8.230 nan 0.000 0.433 206 A N -0.998 121.757 122.820 -0.107 0.000 2.076 206 A HA -0.170 4.151 4.320 0.001 0.000 0.220 206 A C 2.180 179.709 177.584 -0.093 0.000 1.160 206 A CA 1.674 53.664 52.037 -0.078 0.000 0.653 206 A CB -0.827 18.184 19.000 0.018 0.000 0.801 206 A HN 0.514 nan 8.150 nan 0.000 0.455 207 L N -1.290 119.847 121.223 -0.143 0.000 2.552 207 L HA -0.035 4.306 4.340 0.001 0.000 0.227 207 L C 2.449 179.298 176.870 -0.035 0.000 1.146 207 L CA 0.342 55.097 54.840 -0.142 0.000 0.858 207 L CB -0.288 41.499 42.059 -0.455 0.000 0.969 207 L HN 0.481 nan 8.230 nan 0.000 0.451 208 M N -1.083 118.436 119.600 -0.135 0.000 2.384 208 M HA 0.100 4.580 4.480 0.001 0.000 0.258 208 M C 0.178 176.507 176.300 0.047 0.000 1.130 208 M CA 1.052 56.310 55.300 -0.070 0.000 1.187 208 M CB 0.250 32.717 32.600 -0.221 0.000 1.307 208 M HN 0.071 nan 8.290 nan 0.000 0.468 209 Y N -2.774 117.560 120.300 0.057 0.000 2.725 209 Y HA 0.463 5.014 4.550 0.001 0.000 0.333 209 Y C -0.804 175.128 175.900 0.054 0.000 1.242 209 Y CA -1.861 56.271 58.100 0.054 0.000 1.059 209 Y CB 0.293 38.780 38.460 0.046 0.000 1.306 209 Y HN -0.084 nan 8.280 nan 0.000 0.454 210 N N 1.032 119.894 118.700 0.270 0.000 2.458 210 N HA 0.395 5.136 4.740 0.001 0.000 0.270 210 N C -1.229 174.430 175.510 0.247 0.000 1.102 210 N CA 0.715 53.871 53.050 0.178 0.000 0.967 210 N CB 1.299 39.868 38.487 0.137 0.000 1.078 210 N HN 0.865 nan 8.380 nan 0.000 0.471 211 T N 2.773 117.424 114.554 0.161 0.000 2.840 211 T HA 0.421 4.772 4.350 0.001 0.000 0.317 211 T C -2.923 171.841 174.700 0.107 0.000 1.401 211 T CA -1.068 61.135 62.100 0.172 0.000 1.028 211 T CB 1.291 70.293 68.868 0.223 0.000 1.317 211 T HN 0.246 nan 8.240 nan 0.000 0.495 212 P HA 0.379 nan 4.420 nan 0.000 0.268 212 P C -0.766 176.575 177.300 0.069 0.000 1.204 212 P CA -0.430 62.715 63.100 0.076 0.000 0.768 212 P CB 0.328 32.067 31.700 0.066 0.000 0.842 213 R N 2.545 123.085 120.500 0.067 0.000 2.449 213 R HA 0.252 4.592 4.340 0.001 0.000 0.296 213 R C 1.213 177.538 176.300 0.042 0.000 1.047 213 R CA 0.371 56.509 56.100 0.064 0.000 1.018 213 R CB -0.270 30.068 30.300 0.064 0.000 0.962 213 R HN 0.523 nan 8.270 nan 0.000 0.428 214 A N 2.438 125.281 122.820 0.038 0.000 2.218 214 A HA 0.456 4.777 4.320 0.001 0.000 0.209 214 A C 0.292 177.874 177.584 -0.003 0.000 1.168 214 A CA 1.044 53.094 52.037 0.022 0.000 0.804 214 A CB 0.120 19.138 19.000 0.029 0.000 0.834 214 A HN 0.683 nan 8.150 nan 0.000 0.482 215 A N -2.080 120.727 122.820 -0.021 0.000 2.602 215 A HA 0.663 4.983 4.320 0.001 0.000 0.290 215 A C -0.576 176.951 177.584 -0.095 0.000 1.114 215 A CA -0.348 51.652 52.037 -0.062 0.000 0.683 215 A CB 0.516 19.468 19.000 -0.080 0.000 1.281 215 A HN 0.033 nan 8.150 nan 0.000 0.416 216 T N 1.785 116.261 114.554 -0.130 0.000 2.797 216 T HA 0.582 4.933 4.350 0.001 0.000 0.279 216 T C -0.612 173.946 174.700 -0.237 0.000 0.991 216 T CA -0.182 61.812 62.100 -0.176 0.000 0.979 216 T CB 0.541 69.296 68.868 -0.188 0.000 0.943 216 T HN 0.401 nan 8.240 nan 0.000 0.444 217 I N 4.715 125.121 120.570 -0.274 0.000 2.389 217 I HA 0.484 4.654 4.170 0.001 0.000 0.288 217 I C -0.232 175.790 176.117 -0.160 0.000 0.999 217 I CA -0.823 60.316 61.300 -0.268 0.000 1.129 217 I CB 1.271 38.961 38.000 -0.517 0.000 1.288 217 I HN 0.576 nan 8.210 nan 0.000 0.444 218 I N 4.544 125.057 120.570 -0.095 0.000 2.474 218 I HA 0.584 4.755 4.170 0.001 0.000 0.294 218 I C 0.533 176.667 176.117 0.027 0.000 1.005 218 I CA -0.889 60.385 61.300 -0.043 0.000 1.113 218 I CB 2.125 40.053 38.000 -0.119 0.000 1.289 218 I HN 0.609 nan 8.210 nan 0.000 0.436 219 A N 3.089 125.900 122.820 -0.015 0.000 2.425 219 A HA 0.459 4.779 4.320 0.001 0.000 0.249 219 A C 0.800 178.257 177.584 -0.213 0.000 1.084 219 A CA -0.087 51.779 52.037 -0.286 0.000 0.781 219 A CB 0.104 18.928 19.000 -0.293 0.000 1.019 219 A HN 0.870 nan 8.150 nan 0.000 0.490 220 T N -1.623 112.763 114.554 -0.281 0.000 3.132 220 T HA 0.481 4.832 4.350 0.001 0.000 0.274 220 T C 0.234 174.839 174.700 -0.159 0.000 1.011 220 T CA 0.421 62.425 62.100 -0.159 0.000 0.899 220 T CB -0.905 67.897 68.868 -0.110 0.000 1.089 220 T HN 1.731 nan 8.240 nan 0.000 0.543 221 S N -0.353 115.218 115.700 -0.215 0.000 2.656 221 S HA 0.519 4.990 4.470 0.001 0.000 0.265 221 S C -1.586 172.908 174.600 -0.177 0.000 1.132 221 S CA -1.033 57.070 58.200 -0.162 0.000 0.819 221 S CB 1.255 64.369 63.200 -0.143 0.000 1.119 221 S HN 0.163 nan 8.310 nan 0.000 0.476 222 E N -0.011 120.117 120.200 -0.120 0.000 2.344 222 E HA 0.586 4.937 4.350 0.001 0.000 0.270 222 E C 0.203 176.732 176.600 -0.117 0.000 1.021 222 E CA 0.866 57.205 56.400 -0.102 0.000 0.887 222 E CB 0.534 30.194 29.700 -0.067 0.000 0.997 222 E HN 1.014 nan 8.360 nan 0.000 0.429 223 G N 1.486 110.221 108.800 -0.108 0.000 2.687 223 G HA2 0.536 4.497 3.960 0.001 0.000 0.291 223 G HA3 0.536 4.497 3.960 0.001 0.000 0.291 223 G C -1.357 173.520 174.900 -0.040 0.000 1.420 223 G CA -0.527 44.533 45.100 -0.066 0.000 0.796 223 G HN 0.467 nan 8.290 nan 0.000 0.485 224 S N -1.037 114.639 115.700 -0.039 0.000 2.547 224 S HA 0.774 5.244 4.470 0.001 0.000 0.281 224 S C -1.095 173.367 174.600 -0.230 0.000 1.118 224 S CA -0.585 57.515 58.200 -0.167 0.000 0.947 224 S CB 0.923 63.969 63.200 -0.256 0.000 1.053 224 S HN 0.542 nan 8.310 nan 0.000 0.482 225 L N 3.145 124.181 121.223 -0.312 0.000 2.381 225 L HA 0.622 4.962 4.340 0.001 0.000 0.268 225 L C -1.300 175.297 176.870 -0.455 0.000 0.997 225 L CA -0.678 53.961 54.840 -0.335 0.000 0.818 225 L CB 1.913 43.845 42.059 -0.212 0.000 1.310 225 L HN 0.682 nan 8.230 nan 0.000 0.416 226 W N 1.239 122.398 121.300 -0.235 0.000 2.338 226 W HA 0.613 5.273 4.660 0.001 0.000 0.307 226 W C 0.567 176.785 176.519 -0.503 0.000 1.167 226 W CA -0.399 56.751 57.345 -0.325 0.000 1.208 226 W CB 1.808 31.111 29.460 -0.261 0.000 1.228 226 W HN 0.460 nan 8.180 nan 0.000 0.499 227 G N 2.696 111.115 108.800 -0.635 0.000 2.453 227 G HA2 0.700 4.661 3.960 0.001 0.000 0.323 227 G HA3 0.700 4.661 3.960 0.001 0.000 0.323 227 G C -2.233 172.045 174.900 -1.038 0.000 1.198 227 G CA -0.824 43.642 45.100 -1.056 0.000 0.959 227 G HN 0.400 nan 8.290 nan 0.000 0.482 228 L N 0.940 121.861 121.223 -0.503 0.000 2.439 228 L HA 0.528 4.868 4.340 0.001 0.000 0.270 228 L C -0.905 176.006 176.870 0.069 0.000 0.972 228 L CA -0.794 54.004 54.840 -0.069 0.000 0.836 228 L CB 2.134 44.240 42.059 0.078 0.000 1.255 228 L HN 0.617 nan 8.230 nan 0.000 0.404 229 D N 3.108 123.653 120.400 0.240 0.000 2.304 229 D HA 0.208 4.849 4.640 0.001 0.000 0.250 229 D C 1.277 177.663 176.300 0.143 0.000 1.107 229 D CA -0.021 54.087 54.000 0.179 0.000 0.885 229 D CB 1.277 42.188 40.800 0.184 0.000 1.192 229 D HN 0.615 nan 8.370 nan 0.000 0.436 230 R N 2.728 123.291 120.500 0.105 0.000 2.122 230 R HA -0.208 4.133 4.340 0.001 0.000 0.236 230 R C 1.599 177.983 176.300 0.140 0.000 1.129 230 R CA 2.151 58.328 56.100 0.128 0.000 0.925 230 R CB -0.713 29.638 30.300 0.086 0.000 0.850 230 R HN 0.490 nan 8.270 nan 0.000 0.431 231 V N 0.717 120.676 119.914 0.076 0.000 2.324 231 V HA -0.302 3.819 4.120 0.001 0.000 0.250 231 V C 2.331 178.405 176.094 -0.033 0.000 1.060 231 V CA 2.458 64.765 62.300 0.012 0.000 1.042 231 V CB -0.712 31.110 31.823 -0.001 0.000 0.650 231 V HN 0.581 nan 8.190 nan 0.000 0.450 232 T N -0.260 114.310 114.554 0.027 0.000 2.737 232 T HA -0.176 4.174 4.350 0.001 0.000 0.265 232 T C 1.635 176.336 174.700 0.002 0.000 1.038 232 T CA 1.930 64.037 62.100 0.012 0.000 1.144 232 T CB -0.383 68.542 68.868 0.095 0.000 0.866 232 T HN 0.527 nan 8.240 nan 0.000 0.434 233 F N 2.450 122.363 119.950 -0.062 0.000 2.102 233 F HA -0.113 4.414 4.527 0.001 0.000 0.298 233 F C 2.482 178.204 175.800 -0.130 0.000 1.105 233 F CA 1.238 59.176 58.000 -0.102 0.000 1.239 233 F CB -0.053 38.889 39.000 -0.096 0.000 0.991 233 F HN -0.126 nan 8.300 nan 0.000 0.474 234 R N 0.604 120.984 120.500 -0.200 0.000 2.073 234 R HA -0.117 4.224 4.340 0.001 0.000 0.234 234 R C 2.296 178.396 176.300 -0.332 0.000 1.134 234 R CA 1.739 57.660 56.100 -0.297 0.000 0.952 234 R CB -0.789 29.480 30.300 -0.052 0.000 0.850 234 R HN 0.369 nan 8.270 nan 0.000 0.433 235 R N 0.390 120.672 120.500 -0.363 0.000 2.105 235 R HA -0.053 4.288 4.340 0.001 0.000 0.239 235 R C 2.439 178.536 176.300 -0.338 0.000 1.135 235 R CA 1.222 56.991 56.100 -0.551 0.000 0.967 235 R CB -0.425 29.438 30.300 -0.729 0.000 0.861 235 R HN 0.216 nan 8.270 nan 0.000 0.442 236 I N 0.565 120.958 120.570 -0.295 0.000 2.163 236 I HA -0.298 3.873 4.170 0.001 0.000 0.243 236 I C 2.081 178.051 176.117 -0.245 0.000 1.085 236 I CA 1.110 62.272 61.300 -0.231 0.000 1.347 236 I CB -0.219 37.651 38.000 -0.217 0.000 1.044 236 I HN 0.117 nan 8.210 nan 0.000 0.408 237 I N 0.127 120.468 120.570 -0.381 0.000 2.163 237 I HA -0.199 3.972 4.170 0.001 0.000 0.240 237 I C 2.651 178.651 176.117 -0.195 0.000 1.081 237 I CA 1.418 62.505 61.300 -0.354 0.000 1.353 237 I CB -1.226 36.426 38.000 -0.579 0.000 1.054 237 I HN 0.046 nan 8.210 nan 0.000 0.407 238 V N 0.989 120.824 119.914 -0.132 0.000 2.255 238 V HA -0.299 3.821 4.120 0.001 0.000 0.247 238 V C 2.631 178.750 176.094 0.043 0.000 1.051 238 V CA 1.838 64.139 62.300 0.002 0.000 1.018 238 V CB -0.735 31.186 31.823 0.163 0.000 0.641 238 V HN 0.382 nan 8.190 nan 0.000 0.445 239 K N -0.017 120.451 120.400 0.112 0.000 2.044 239 K HA -0.277 4.044 4.320 0.001 0.000 0.210 239 K C 2.218 178.814 176.600 -0.006 0.000 1.049 239 K CA 1.988 58.337 56.287 0.103 0.000 0.927 239 K CB -0.348 32.213 32.500 0.101 0.000 0.713 239 K HN 0.488 nan 8.250 nan 0.000 0.443 240 N N 0.763 119.430 118.700 -0.054 0.000 2.142 240 N HA -0.140 4.600 4.740 0.001 0.000 0.186 240 N C 1.291 176.738 175.510 -0.106 0.000 1.023 240 N CA 1.126 54.127 53.050 -0.082 0.000 0.852 240 N CB -0.074 38.353 38.487 -0.100 0.000 0.998 240 N HN 0.204 nan 8.380 nan 0.000 0.424 241 N N 0.878 119.514 118.700 -0.106 0.000 2.270 241 N HA -0.024 4.716 4.740 0.001 0.000 0.181 241 N C 1.486 176.920 175.510 -0.126 0.000 1.016 241 N CA 0.858 53.833 53.050 -0.124 0.000 0.870 241 N CB -0.354 38.074 38.487 -0.099 0.000 0.979 241 N HN 0.301 nan 8.380 nan 0.000 0.431 242 A N 0.675 123.442 122.820 -0.089 0.000 2.066 242 A HA -0.064 4.257 4.320 0.001 0.000 0.218 242 A C 2.178 179.705 177.584 -0.096 0.000 1.157 242 A CA 1.060 53.047 52.037 -0.084 0.000 0.670 242 A CB -0.190 18.771 19.000 -0.065 0.000 0.804 242 A HN 0.236 nan 8.150 nan 0.000 0.453 243 K N 0.055 120.396 120.400 -0.099 0.000 2.076 243 K HA -0.043 4.277 4.320 0.001 0.000 0.204 243 K C 2.092 178.600 176.600 -0.154 0.000 1.051 243 K CA 1.352 57.581 56.287 -0.096 0.000 0.949 243 K CB -0.158 32.300 32.500 -0.070 0.000 0.726 243 K HN 0.347 nan 8.250 nan 0.000 0.443 244 K N 0.606 120.863 120.400 -0.239 0.000 2.057 244 K HA -0.152 4.169 4.320 0.001 0.000 0.207 244 K C 2.141 178.369 176.600 -0.619 0.000 1.049 244 K CA 1.363 57.365 56.287 -0.475 0.000 0.931 244 K CB 0.033 32.208 32.500 -0.542 0.000 0.714 244 K HN 0.083 nan 8.250 nan 0.000 0.440 245 R N 0.523 120.804 120.500 -0.364 0.000 2.081 245 R HA -0.136 4.204 4.340 0.001 0.000 0.235 245 R C 2.436 178.694 176.300 -0.070 0.000 1.131 245 R CA 1.704 57.690 56.100 -0.190 0.000 0.960 245 R CB -0.159 30.083 30.300 -0.096 0.000 0.856 245 R HN 0.152 nan 8.270 nan 0.000 0.436 246 K N 0.366 120.720 120.400 -0.078 0.000 2.097 246 K HA -0.134 4.186 4.320 0.001 0.000 0.206 246 K C 2.117 178.716 176.600 -0.001 0.000 1.049 246 K CA 1.173 57.440 56.287 -0.033 0.000 0.933 246 K CB 0.016 32.488 32.500 -0.047 0.000 0.717 246 K HN 0.112 nan 8.250 nan 0.000 0.442 247 M N 0.080 119.674 119.600 -0.011 0.000 2.132 247 M HA -0.115 4.366 4.480 0.001 0.000 0.263 247 M C 1.680 178.175 176.300 0.326 0.000 1.065 247 M CA 1.518 56.870 55.300 0.085 0.000 1.122 247 M CB -0.279 32.370 32.600 0.082 0.000 1.365 247 M HN 0.210 nan 8.290 nan 0.000 0.411 248 F N 0.340 120.374 119.950 0.140 0.000 2.146 248 F HA -0.261 4.267 4.527 0.001 0.000 0.298 248 F C 2.412 178.297 175.800 0.141 0.000 1.096 248 F CA 0.909 59.014 58.000 0.174 0.000 1.275 248 F CB -0.344 38.711 39.000 0.093 0.000 1.008 248 F HN 0.215 nan 8.300 nan 0.000 0.480 249 E N 0.660 121.027 120.200 0.278 0.000 2.097 249 E HA -0.234 4.116 4.350 0.001 0.000 0.196 249 E C 2.158 178.823 176.600 0.109 0.000 1.000 249 E CA 1.722 58.211 56.400 0.149 0.000 0.804 249 E CB -0.469 29.277 29.700 0.077 0.000 0.740 249 E HN 0.108 nan 8.360 nan 0.000 0.454 250 S N -1.439 114.296 115.700 0.057 0.000 2.368 250 S HA -0.088 4.382 4.470 0.001 0.000 0.225 250 S C 1.731 176.299 174.600 -0.053 0.000 1.030 250 S CA 1.145 59.311 58.200 -0.057 0.000 0.999 250 S CB -0.523 62.560 63.200 -0.195 0.000 0.844 250 S HN 0.427 nan 8.310 nan 0.000 0.459 251 F N 1.018 121.043 119.950 0.126 0.000 2.365 251 F HA 0.023 4.551 4.527 0.001 0.000 0.300 251 F C 1.846 177.717 175.800 0.119 0.000 1.090 251 F CA 0.307 58.379 58.000 0.119 0.000 1.408 251 F CB -0.002 39.075 39.000 0.128 0.000 1.060 251 F HN 0.280 nan 8.300 nan 0.000 0.534 252 I N -0.622 120.121 120.570 0.289 0.000 2.400 252 I HA -0.142 4.028 4.170 0.001 0.000 0.248 252 I C 2.411 178.667 176.117 0.231 0.000 1.109 252 I CA 1.038 62.502 61.300 0.273 0.000 1.425 252 I CB -1.163 36.944 38.000 0.178 0.000 1.094 252 I HN 0.130 nan 8.210 nan 0.000 0.425 253 E N 1.465 121.750 120.200 0.142 0.000 2.110 253 E HA -0.171 4.179 4.350 0.001 0.000 0.193 253 E C 2.149 178.789 176.600 0.066 0.000 0.988 253 E CA 1.676 58.130 56.400 0.090 0.000 0.804 253 E CB 0.198 29.926 29.700 0.046 0.000 0.745 253 E HN 0.498 nan 8.360 nan 0.000 0.458 254 S N -0.408 115.329 115.700 0.062 0.000 2.561 254 S HA 0.018 4.489 4.470 0.001 0.000 0.225 254 S C 0.951 175.572 174.600 0.035 0.000 0.977 254 S CA -0.114 58.114 58.200 0.046 0.000 0.926 254 S CB 0.035 63.262 63.200 0.046 0.000 0.769 254 S HN -0.055 nan 8.310 nan 0.000 0.533 255 V N 5.055 124.976 119.914 0.012 0.000 2.387 255 V HA 0.182 4.303 4.120 0.001 0.000 0.260 255 V C -0.871 175.083 176.094 -0.233 0.000 1.054 255 V CA -1.610 60.578 62.300 -0.187 0.000 0.967 255 V CB 0.727 32.336 31.823 -0.357 0.000 1.036 255 V HN 0.276 nan 8.190 nan 0.000 0.481 256 P HA -0.209 nan 4.420 nan 0.000 0.217 256 P C 1.741 178.921 177.300 -0.199 0.000 1.148 256 P CA 1.217 64.241 63.100 -0.127 0.000 0.828 256 P CB 0.525 32.197 31.700 -0.047 0.000 0.783 257 L N -1.648 119.313 121.223 -0.437 0.000 2.191 257 L HA -0.066 4.274 4.340 0.001 0.000 0.212 257 L C 1.946 178.627 176.870 -0.316 0.000 1.103 257 L CA 1.464 56.006 54.840 -0.497 0.000 0.769 257 L CB -0.390 41.111 42.059 -0.930 0.000 0.908 257 L HN -0.096 nan 8.230 nan 0.000 0.438 258 F N -1.693 118.185 119.950 -0.120 0.000 2.664 258 F HA 0.085 4.613 4.527 0.001 0.000 0.303 258 F C 1.868 177.648 175.800 -0.034 0.000 1.092 258 F CA -0.671 57.299 58.000 -0.051 0.000 1.305 258 F CB 0.161 39.137 39.000 -0.040 0.000 1.054 258 F HN -0.148 nan 8.300 nan 0.000 0.565 259 K N 0.590 121.039 120.400 0.082 0.000 2.152 259 K HA -0.144 4.176 4.320 0.001 0.000 0.206 259 K C 2.056 178.668 176.600 0.020 0.000 1.048 259 K CA 1.495 57.800 56.287 0.030 0.000 0.933 259 K CB -0.568 31.913 32.500 -0.032 0.000 0.721 259 K HN 0.308 nan 8.250 nan 0.000 0.447 260 S N 0.239 115.958 115.700 0.032 0.000 2.603 260 S HA 0.054 4.525 4.470 0.001 0.000 0.220 260 S C 0.989 175.606 174.600 0.027 0.000 0.967 260 S CA -0.205 58.005 58.200 0.016 0.000 0.920 260 S CB -0.323 62.888 63.200 0.018 0.000 0.773 260 S HN 0.091 nan 8.310 nan 0.000 0.529 261 L N 1.782 123.038 121.223 0.055 0.000 2.461 261 L HA 0.368 4.709 4.340 0.001 0.000 0.272 261 L C 0.714 177.586 176.870 0.003 0.000 1.197 261 L CA -0.295 54.562 54.840 0.027 0.000 0.836 261 L CB 0.414 42.493 42.059 0.033 0.000 1.105 261 L HN 0.207 nan 8.230 nan 0.000 0.477 262 E N 1.058 121.247 120.200 -0.018 0.000 2.314 262 E HA 0.084 4.435 4.350 0.001 0.000 0.262 262 E C 0.690 177.276 176.600 -0.022 0.000 1.093 262 E CA -0.206 56.182 56.400 -0.021 0.000 0.908 262 E CB 1.141 30.824 29.700 -0.028 0.000 1.091 262 E HN 0.486 nan 8.360 nan 0.000 0.425 263 M N 1.416 121.004 119.600 -0.019 0.000 2.073 263 M HA -0.238 4.242 4.480 0.001 0.000 0.258 263 M C 1.614 177.899 176.300 -0.025 0.000 1.070 263 M CA 2.572 57.861 55.300 -0.017 0.000 1.103 263 M CB -0.292 32.298 32.600 -0.016 0.000 1.321 263 M HN 0.569 nan 8.290 nan 0.000 0.405 264 S N -0.205 115.476 115.700 -0.031 0.000 2.419 264 S HA -0.170 4.301 4.470 0.001 0.000 0.233 264 S C 1.443 176.011 174.600 -0.054 0.000 1.016 264 S CA 1.589 59.766 58.200 -0.038 0.000 0.974 264 S CB -0.764 62.413 63.200 -0.038 0.000 0.786 264 S HN 0.675 nan 8.310 nan 0.000 0.492 265 E N 1.172 121.334 120.200 -0.064 0.000 2.152 265 E HA 0.009 4.360 4.350 0.001 0.000 0.192 265 E C 2.409 178.945 176.600 -0.107 0.000 0.983 265 E CA 0.561 56.901 56.400 -0.100 0.000 0.818 265 E CB -0.113 29.523 29.700 -0.108 0.000 0.758 265 E HN 0.538 nan 8.360 nan 0.000 0.467 266 R N 0.257 120.715 120.500 -0.068 0.000 2.115 266 R HA 0.033 4.374 4.340 0.001 0.000 0.226 266 R C 2.275 178.556 176.300 -0.031 0.000 1.100 266 R CA 0.967 57.036 56.100 -0.053 0.000 0.980 266 R CB -0.103 30.191 30.300 -0.010 0.000 0.875 266 R HN 0.207 nan 8.270 nan 0.000 0.445 267 M N 0.355 119.940 119.600 -0.026 0.000 2.254 267 M HA -0.112 4.369 4.480 0.001 0.000 0.265 267 M C 1.885 178.172 176.300 -0.021 0.000 1.066 267 M CA 1.507 56.801 55.300 -0.010 0.000 1.123 267 M CB -0.104 32.488 32.600 -0.014 0.000 1.388 267 M HN 0.020 nan 8.290 nan 0.000 0.425 268 K N 0.403 120.772 120.400 -0.052 0.000 2.097 268 K HA -0.099 4.222 4.320 0.001 0.000 0.206 268 K C 1.856 178.417 176.600 -0.065 0.000 1.049 268 K CA 0.981 57.229 56.287 -0.065 0.000 0.933 268 K CB -0.042 32.398 32.500 -0.099 0.000 0.717 268 K HN 0.241 nan 8.250 nan 0.000 0.442 269 I N 0.893 121.416 120.570 -0.078 0.000 2.163 269 I HA -0.214 3.957 4.170 0.001 0.000 0.240 269 I C 2.383 178.485 176.117 -0.024 0.000 1.081 269 I CA 1.200 62.459 61.300 -0.069 0.000 1.353 269 I CB -1.189 36.760 38.000 -0.085 0.000 1.054 269 I HN -0.101 nan 8.210 nan 0.000 0.407 270 V N 1.435 121.367 119.914 0.030 0.000 2.324 270 V HA -0.306 3.814 4.120 0.001 0.000 0.250 270 V C 2.241 178.420 176.094 0.141 0.000 1.060 270 V CA 2.011 64.396 62.300 0.142 0.000 1.042 270 V CB -0.826 31.098 31.823 0.168 0.000 0.650 270 V HN 0.346 nan 8.190 nan 0.000 0.450 271 D N 0.215 120.651 120.400 0.059 0.000 2.123 271 D HA -0.137 4.504 4.640 0.001 0.000 0.196 271 D C 1.957 178.277 176.300 0.033 0.000 0.992 271 D CA 2.039 56.063 54.000 0.040 0.000 0.833 271 D CB -0.126 40.676 40.800 0.004 0.000 0.954 271 D HN 0.590 nan 8.370 nan 0.000 0.455 272 V N -1.565 118.351 119.914 0.002 0.000 3.635 272 V HA 0.279 4.400 4.120 0.001 0.000 0.266 272 V C 1.032 177.090 176.094 -0.059 0.000 1.316 272 V CA -0.471 61.815 62.300 -0.023 0.000 1.060 272 V CB -0.020 31.779 31.823 -0.041 0.000 0.820 272 V HN -0.018 nan 8.190 nan 0.000 0.447 273 I N 2.594 123.108 120.570 -0.092 0.000 2.815 273 I HA 0.458 4.628 4.170 0.001 0.000 0.291 273 I C 1.060 177.044 176.117 -0.221 0.000 1.209 273 I CA 0.891 62.066 61.300 -0.209 0.000 1.431 273 I CB 0.506 38.327 38.000 -0.299 0.000 1.351 273 I HN 0.364 nan 8.210 nan 0.000 0.585 274 G N 5.711 114.361 108.800 -0.251 0.000 2.491 274 G HA2 0.473 4.434 3.960 0.001 0.000 0.327 274 G HA3 0.473 4.434 3.960 0.001 0.000 0.327 274 G C -1.206 173.567 174.900 -0.213 0.000 1.189 274 G CA -0.479 44.511 45.100 -0.184 0.000 0.956 274 G HN 0.680 nan 8.290 nan 0.000 0.491 275 E N -0.358 119.785 120.200 -0.095 0.000 2.288 275 E HA 0.486 4.837 4.350 0.001 0.000 0.268 275 E C -0.951 175.642 176.600 -0.012 0.000 0.885 275 E CA -0.661 55.713 56.400 -0.043 0.000 0.767 275 E CB 2.636 32.370 29.700 0.057 0.000 1.220 275 E HN 0.293 nan 8.360 nan 0.000 0.427 276 K N 1.686 122.105 120.400 0.032 0.000 2.523 276 K HA 0.453 4.774 4.320 0.001 0.000 0.257 276 K C -1.375 175.213 176.600 -0.020 0.000 0.932 276 K CA -0.830 55.434 56.287 -0.038 0.000 0.812 276 K CB 1.812 34.296 32.500 -0.028 0.000 1.326 276 K HN 0.253 nan 8.250 nan 0.000 0.433 277 I N 2.429 122.890 120.570 -0.182 0.000 2.441 277 I HA 0.353 4.524 4.170 0.001 0.000 0.295 277 I C -1.139 174.821 176.117 -0.262 0.000 0.994 277 I CA -0.420 60.836 61.300 -0.072 0.000 1.144 277 I CB 0.860 38.838 38.000 -0.037 0.000 1.314 277 I HN 0.402 nan 8.210 nan 0.000 0.445 278 Y N 4.222 124.540 120.300 0.030 0.000 2.425 278 Y HA 0.509 5.059 4.550 0.001 0.000 0.344 278 Y C -0.130 175.782 175.900 0.020 0.000 0.969 278 Y CA -1.244 56.869 58.100 0.022 0.000 1.052 278 Y CB 1.515 39.984 38.460 0.015 0.000 1.215 278 Y HN 0.434 nan 8.280 nan 0.000 0.451 279 K N 1.480 121.965 120.400 0.142 0.000 2.174 279 K HA 0.211 4.532 4.320 0.001 0.000 0.275 279 K C -0.268 176.391 176.600 0.098 0.000 1.015 279 K CA -0.870 55.472 56.287 0.093 0.000 0.933 279 K CB 1.229 33.763 32.500 0.058 0.000 1.025 279 K HN 0.650 nan 8.250 nan 0.000 0.463 280 D N 1.803 122.246 120.400 0.072 0.000 2.730 280 D HA -0.156 4.485 4.640 0.001 0.000 0.225 280 D C 0.931 177.266 176.300 0.057 0.000 1.107 280 D CA 2.415 56.448 54.000 0.056 0.000 0.837 280 D CB 0.253 41.077 40.800 0.040 0.000 1.171 280 D HN 0.887 nan 8.370 nan 0.000 0.498 281 G N 3.348 112.182 108.800 0.056 0.000 2.253 281 G HA2 -0.314 3.647 3.960 0.001 0.000 0.251 281 G HA3 -0.314 3.647 3.960 0.001 0.000 0.251 281 G C 0.257 175.240 174.900 0.139 0.000 0.998 281 G CA 0.693 45.833 45.100 0.066 0.000 0.621 281 G HN 0.816 nan 8.290 nan 0.000 0.524 282 E N 0.871 121.154 120.200 0.137 0.000 2.354 282 E HA 0.517 4.868 4.350 0.001 0.000 0.269 282 E C 0.449 177.130 176.600 0.135 0.000 1.036 282 E CA -0.775 55.721 56.400 0.159 0.000 0.876 282 E CB 0.919 30.712 29.700 0.155 0.000 1.009 282 E HN 0.452 nan 8.360 nan 0.000 0.416 283 R N 3.248 123.795 120.500 0.077 0.000 2.442 283 R HA 0.120 4.461 4.340 0.001 0.000 0.291 283 R C 0.357 176.540 176.300 -0.195 0.000 1.069 283 R CA -0.002 55.937 56.100 -0.269 0.000 1.022 283 R CB 0.445 30.547 30.300 -0.331 0.000 0.976 283 R HN 0.804 nan 8.270 nan 0.000 0.443 284 I N 4.046 124.377 120.570 -0.398 0.000 2.947 284 I HA 0.101 4.272 4.170 0.001 0.000 0.263 284 I C 0.496 176.450 176.117 -0.272 0.000 1.130 284 I CA 0.290 61.369 61.300 -0.368 0.000 1.448 284 I CB 0.330 37.866 38.000 -0.773 0.000 1.222 284 I HN 0.480 nan 8.210 nan 0.000 0.453 285 I N 1.113 121.459 120.570 -0.373 0.000 2.465 285 I HA 0.472 4.643 4.170 0.001 0.000 0.291 285 I C -0.491 175.469 176.117 -0.263 0.000 1.014 285 I CA -0.663 60.500 61.300 -0.228 0.000 1.093 285 I CB 2.008 39.904 38.000 -0.173 0.000 1.267 285 I HN -0.024 nan 8.210 nan 0.000 0.431 286 A N 5.819 128.552 122.820 -0.144 0.000 2.288 286 A HA 0.393 4.714 4.320 0.001 0.000 0.320 286 A C -0.280 177.269 177.584 -0.058 0.000 1.217 286 A CA -0.498 51.467 52.037 -0.120 0.000 0.840 286 A CB 1.037 19.996 19.000 -0.068 0.000 1.179 286 A HN 0.769 nan 8.150 nan 0.000 0.504 287 Q N 1.291 121.065 119.800 -0.043 0.000 2.263 287 Q HA 0.347 4.688 4.340 0.001 0.000 0.289 287 Q C 1.200 177.200 176.000 -0.000 0.000 1.061 287 Q CA 1.700 57.495 55.803 -0.014 0.000 0.927 287 Q CB 0.183 28.922 28.738 0.002 0.000 1.154 287 Q HN 1.661 nan 8.270 nan 0.000 0.378 288 G N 2.959 111.762 108.800 0.006 0.000 2.313 288 G HA2 -0.270 3.691 3.960 0.001 0.000 0.215 288 G HA3 -0.270 3.691 3.960 0.001 0.000 0.215 288 G C -0.048 174.860 174.900 0.014 0.000 1.023 288 G CA 0.145 45.251 45.100 0.011 0.000 0.626 288 G HN 0.768 nan 8.290 nan 0.000 0.503 289 E N 1.414 121.621 120.200 0.012 0.000 2.397 289 E HA 0.519 4.870 4.350 0.001 0.000 0.254 289 E C -0.049 176.566 176.600 0.025 0.000 1.231 289 E CA -0.317 56.093 56.400 0.018 0.000 0.954 289 E CB 0.314 30.024 29.700 0.017 0.000 1.024 289 E HN 0.354 nan 8.360 nan 0.000 0.481 290 K N 0.008 120.425 120.400 0.029 0.000 2.298 290 K HA 0.384 4.704 4.320 0.001 0.000 0.280 290 K C -0.509 176.117 176.600 0.044 0.000 1.032 290 K CA -0.346 55.961 56.287 0.034 0.000 0.958 290 K CB 1.057 33.575 32.500 0.030 0.000 0.978 290 K HN 0.568 nan 8.250 nan 0.000 0.472 291 A N 3.024 125.873 122.820 0.050 0.000 2.437 291 A HA 0.166 4.487 4.320 0.001 0.000 0.303 291 A C -0.323 177.296 177.584 0.058 0.000 1.324 291 A CA -0.563 51.514 52.037 0.065 0.000 0.983 291 A CB -0.227 18.814 19.000 0.067 0.000 1.142 291 A HN 0.733 nan 8.150 nan 0.000 0.541 292 D N 0.581 121.011 120.400 0.050 0.000 2.422 292 D HA 0.092 4.732 4.640 0.001 0.000 0.218 292 D C 0.900 177.195 176.300 -0.009 0.000 1.047 292 D CA 1.463 55.477 54.000 0.023 0.000 0.885 292 D CB 0.549 41.354 40.800 0.009 0.000 1.035 292 D HN 0.625 nan 8.370 nan 0.000 0.502 293 S N -0.568 115.116 115.700 -0.027 0.000 2.720 293 S HA 0.720 5.190 4.470 0.001 0.000 0.287 293 S C -0.875 173.671 174.600 -0.091 0.000 1.168 293 S CA -1.016 57.082 58.200 -0.170 0.000 0.832 293 S CB 1.711 64.669 63.200 -0.402 0.000 1.166 293 S HN 0.046 nan 8.310 nan 0.000 0.493 294 F N -1.335 118.435 119.950 -0.300 0.000 2.603 294 F HA 0.880 5.407 4.527 0.001 0.000 0.317 294 F C -1.562 173.947 175.800 -0.485 0.000 1.066 294 F CA -1.515 56.355 58.000 -0.218 0.000 0.941 294 F CB 0.661 39.596 39.000 -0.108 0.000 1.291 294 F HN 0.653 nan 8.300 nan 0.000 0.472 295 Y N 1.314 121.421 120.300 -0.321 0.000 2.562 295 Y HA 0.748 5.299 4.550 0.001 0.000 0.343 295 Y C -0.421 175.288 175.900 -0.318 0.000 1.025 295 Y CA -1.316 56.452 58.100 -0.553 0.000 1.082 295 Y CB 2.387 40.133 38.460 -1.191 0.000 1.264 295 Y HN 0.485 nan 8.280 nan 0.000 0.478 296 I N 3.673 124.216 120.570 -0.045 0.000 2.468 296 I HA 0.307 4.478 4.170 0.001 0.000 0.284 296 I C -0.900 175.179 176.117 -0.064 0.000 1.038 296 I CA -0.535 60.784 61.300 0.032 0.000 1.083 296 I CB 1.330 39.369 38.000 0.065 0.000 1.223 296 I HN 0.450 nan 8.210 nan 0.000 0.443 297 I N 6.181 126.761 120.570 0.017 0.000 2.598 297 I HA -0.016 4.155 4.170 0.001 0.000 0.284 297 I C 1.424 177.393 176.117 -0.246 0.000 1.140 297 I CA 0.472 61.766 61.300 -0.011 0.000 1.420 297 I CB 0.474 38.535 38.000 0.101 0.000 1.387 297 I HN 0.726 nan 8.210 nan 0.000 0.553 298 E N 4.094 124.081 120.200 -0.354 0.000 2.526 298 E HA 0.161 4.511 4.350 0.001 0.000 0.208 298 E C -0.138 176.405 176.600 -0.095 0.000 0.997 298 E CA -0.182 55.813 56.400 -0.674 0.000 0.961 298 E CB 0.595 29.771 29.700 -0.874 0.000 1.030 298 E HN 0.609 nan 8.360 nan 0.000 0.483 299 S N -0.888 114.812 115.700 0.001 0.000 2.578 299 S HA 0.554 5.025 4.470 0.001 0.000 0.285 299 S C 0.144 174.794 174.600 0.082 0.000 1.126 299 S CA -0.429 57.821 58.200 0.083 0.000 0.878 299 S CB 1.233 64.487 63.200 0.089 0.000 1.091 299 S HN 0.740 nan 8.310 nan 0.000 0.450 300 G N 1.971 110.828 108.800 0.096 0.000 2.615 300 G HA2 0.129 4.089 3.960 0.001 0.000 0.218 300 G HA3 0.129 4.089 3.960 0.001 0.000 0.218 300 G C -1.121 173.829 174.900 0.083 0.000 1.339 300 G CA -0.088 45.061 45.100 0.082 0.000 0.884 300 G HN 1.110 nan 8.290 nan 0.000 0.559 301 E N -1.678 118.543 120.200 0.034 0.000 2.393 301 E HA 0.616 4.967 4.350 0.001 0.000 0.273 301 E C -1.171 175.306 176.600 -0.206 0.000 0.918 301 E CA -0.947 55.433 56.400 -0.033 0.000 0.773 301 E CB 2.879 32.627 29.700 0.081 0.000 1.275 301 E HN 0.583 nan 8.360 nan 0.000 0.451 302 V N 1.099 120.778 119.914 -0.391 0.000 2.638 302 V HA 0.329 4.449 4.120 0.001 0.000 0.306 302 V C -0.509 175.210 176.094 -0.625 0.000 1.052 302 V CA -0.704 61.289 62.300 -0.512 0.000 0.885 302 V CB 1.916 33.312 31.823 -0.712 0.000 0.999 302 V HN 0.617 nan 8.190 nan 0.000 0.424 303 S N 5.160 120.586 115.700 -0.457 0.000 2.442 303 S HA 0.657 5.128 4.470 0.001 0.000 0.297 303 S C -0.613 173.852 174.600 -0.225 0.000 1.131 303 S CA -0.616 57.395 58.200 -0.316 0.000 1.092 303 S CB 0.385 63.499 63.200 -0.143 0.000 0.998 303 S HN 0.472 nan 8.310 nan 0.000 0.478 304 I N 6.426 126.878 120.570 -0.197 0.000 2.312 304 I HA 0.396 4.567 4.170 0.001 0.000 0.290 304 I C -0.228 175.855 176.117 -0.056 0.000 1.008 304 I CA -0.391 60.813 61.300 -0.160 0.000 1.226 304 I CB 0.609 38.499 38.000 -0.183 0.000 1.371 304 I HN 0.580 nan 8.210 nan 0.000 0.468 305 L N 6.814 128.042 121.223 0.008 0.000 2.330 305 L HA 0.670 5.011 4.340 0.001 0.000 0.271 305 L C -0.381 176.504 176.870 0.024 0.000 1.013 305 L CA -0.791 54.064 54.840 0.026 0.000 0.816 305 L CB 2.995 45.088 42.059 0.056 0.000 1.287 305 L HN 0.454 nan 8.230 nan 0.000 0.435 306 I N 1.176 121.752 120.570 0.010 0.000 2.607 306 I HA 0.338 4.509 4.170 0.001 0.000 0.290 306 I C -0.760 175.361 176.117 0.006 0.000 1.129 306 I CA -0.577 60.727 61.300 0.008 0.000 1.042 306 I CB 1.941 39.939 38.000 -0.003 0.000 1.242 306 I HN 0.636 nan 8.210 nan 0.000 0.421 307 R N 6.007 126.513 120.500 0.011 0.000 2.308 307 R HA 0.303 4.644 4.340 0.001 0.000 0.325 307 R C 0.549 176.850 176.300 0.003 0.000 1.161 307 R CA -0.051 56.053 56.100 0.006 0.000 1.022 307 R CB 0.633 30.940 30.300 0.011 0.000 1.091 307 R HN 0.777 nan 8.270 nan 0.000 0.497 308 S N 2.440 118.140 115.700 -0.001 0.000 3.399 308 S HA 0.054 4.525 4.470 0.001 0.000 0.267 308 S C 1.265 175.865 174.600 -0.000 0.000 1.088 308 S CA 0.880 59.079 58.200 -0.001 0.000 1.306 308 S CB -0.258 62.939 63.200 -0.004 0.000 1.601 308 S HN 0.756 nan 8.310 nan 0.000 0.558 309 K N 0.347 120.748 120.400 0.002 0.000 2.567 309 K HA 0.600 4.920 4.320 0.001 0.000 0.199 309 K C 1.473 178.075 176.600 0.003 0.000 1.412 309 K CA 1.003 57.292 56.287 0.002 0.000 1.020 309 K CB -1.245 31.257 32.500 0.003 0.000 1.487 309 K HN 0.841 nan 8.250 nan 0.000 0.531 310 T N 1.592 116.148 114.554 0.005 0.000 4.354 310 T HA 0.447 4.798 4.350 0.001 0.000 0.234 310 T C 0.572 175.275 174.700 0.005 0.000 0.798 310 T CA 1.088 63.191 62.100 0.006 0.000 0.885 310 T CB -1.476 67.396 68.868 0.008 0.000 1.350 310 T HN 0.707 nan 8.240 nan 0.000 0.755 311 K N -0.075 120.327 120.400 0.003 0.000 3.207 311 K HA 0.806 5.127 4.320 0.001 0.000 0.166 311 K C 0.552 177.154 176.600 0.002 0.000 1.079 311 K CA 0.594 56.883 56.287 0.002 0.000 0.818 311 K CB -0.795 31.706 32.500 0.001 0.000 0.967 311 K HN 1.266 nan 8.250 nan 0.000 0.594 312 S N -0.894 114.808 115.700 0.002 0.000 7.376 312 S HA 0.425 4.896 4.470 0.001 0.000 0.042 312 S C 0.592 175.193 174.600 0.002 0.000 1.533 312 S CA 1.288 59.489 58.200 0.002 0.000 0.942 312 S CB -0.859 62.341 63.200 0.001 0.000 0.854 312 S HN 2.014 nan 8.310 nan 0.000 0.540 313 N N -0.007 118.694 118.700 0.002 0.000 3.560 313 N HA 0.656 5.396 4.740 0.001 0.000 0.183 313 N C 0.146 175.657 175.510 0.002 0.000 1.495 313 N CA 1.114 54.165 53.050 0.002 0.000 0.793 313 N CB -0.399 38.089 38.487 0.001 0.000 1.681 313 N HN 2.307 nan 8.380 nan 0.000 0.667 314 K N -1.940 118.462 120.400 0.003 0.000 4.278 314 K HA 0.512 4.833 4.320 0.001 0.000 0.306 314 K C 0.732 177.333 176.600 0.002 0.000 1.041 314 K CA 1.660 57.949 56.287 0.002 0.000 0.957 314 K CB -2.757 29.744 32.500 0.002 0.000 1.522 314 K HN 3.008 nan 8.250 nan 0.000 0.437 315 N N -2.450 116.251 118.700 0.002 0.000 4.959 315 N HA 0.745 5.486 4.740 0.001 0.000 0.217 315 N C 0.568 176.078 175.510 0.000 0.000 1.138 315 N CA 1.143 54.193 53.050 0.001 0.000 0.659 315 N CB -0.943 37.544 38.487 0.000 0.000 1.691 315 N HN 2.862 nan 8.380 nan 0.000 0.424 316 G N -2.409 106.390 108.800 -0.001 0.000 2.698 316 G HA2 0.455 4.415 3.960 0.001 0.000 0.225 316 G HA3 0.455 4.415 3.960 0.001 0.000 0.225 316 G C 1.593 176.492 174.900 -0.003 0.000 1.345 316 G CA 1.551 46.650 45.100 -0.002 0.000 0.871 316 G HN 2.789 nan 8.290 nan 0.000 0.540 317 G N -0.026 108.772 108.800 -0.004 0.000 3.359 317 G HA2 0.124 4.085 3.960 0.001 0.000 0.338 317 G HA3 0.124 4.085 3.960 0.001 0.000 0.338 317 G C 2.161 177.058 174.900 -0.006 0.000 1.486 317 G CA 3.780 48.877 45.100 -0.006 0.000 1.570 317 G HN 3.099 nan 8.290 nan 0.000 1.093 318 N N -0.534 118.164 118.700 -0.004 0.000 2.642 318 N HA 0.060 4.801 4.740 0.001 0.000 0.269 318 N C 0.628 176.134 175.510 -0.006 0.000 1.073 318 N CA 3.036 56.084 53.050 -0.003 0.000 0.748 318 N CB -1.879 36.606 38.487 -0.002 0.000 0.894 318 N HN 1.651 nan 8.380 nan 0.000 0.548 319 Q N -2.669 117.125 119.800 -0.009 0.000 2.383 319 Q HA 0.663 5.004 4.340 0.001 0.000 0.422 319 Q C -1.427 174.561 176.000 -0.021 0.000 0.603 319 Q CA -0.706 55.088 55.803 -0.016 0.000 0.942 319 Q CB 0.702 29.430 28.738 -0.018 0.000 1.639 319 Q HN 0.257 nan 8.270 nan 0.000 0.272 320 E N 0.599 120.782 120.200 -0.028 0.000 2.307 320 E HA 0.551 4.902 4.350 0.001 0.000 0.280 320 E C -1.763 174.817 176.600 -0.033 0.000 0.900 320 E CA -0.355 56.023 56.400 -0.036 0.000 0.790 320 E CB 2.716 32.374 29.700 -0.069 0.000 1.261 320 E HN 0.358 nan 8.360 nan 0.000 0.405 321 V N 2.048 121.948 119.914 -0.023 0.000 2.577 321 V HA 0.256 4.377 4.120 0.001 0.000 0.303 321 V C -0.034 176.050 176.094 -0.018 0.000 1.042 321 V CA -0.877 61.410 62.300 -0.020 0.000 0.872 321 V CB 2.130 33.944 31.823 -0.015 0.000 0.998 321 V HN 0.564 nan 8.190 nan 0.000 0.423 322 E N 3.680 123.869 120.200 -0.017 0.000 2.070 322 E HA 0.316 4.667 4.350 0.001 0.000 0.282 322 E C 0.429 177.023 176.600 -0.011 0.000 1.104 322 E CA -0.211 56.182 56.400 -0.012 0.000 0.876 322 E CB 0.797 30.498 29.700 0.003 0.000 1.055 322 E HN 0.663 nan 8.360 nan 0.000 0.401 323 I N 3.208 123.766 120.570 -0.020 0.000 2.277 323 I HA 0.021 4.192 4.170 0.001 0.000 0.243 323 I C 1.046 177.150 176.117 -0.022 0.000 1.094 323 I CA 0.546 61.832 61.300 -0.023 0.000 1.393 323 I CB -0.023 37.958 38.000 -0.032 0.000 1.078 323 I HN 0.429 nan 8.210 nan 0.000 0.417 324 A N -0.898 121.903 122.820 -0.032 0.000 2.564 324 A HA 0.641 4.962 4.320 0.001 0.000 0.288 324 A C -1.212 176.377 177.584 0.007 0.000 1.164 324 A CA -0.304 51.719 52.037 -0.022 0.000 0.712 324 A CB 1.427 20.387 19.000 -0.067 0.000 1.303 324 A HN 0.285 nan 8.150 nan 0.000 0.418 325 H N 0.045 119.065 119.070 -0.083 0.000 3.275 325 H HA 0.387 4.944 4.556 0.001 0.000 0.326 325 H C -1.432 173.855 175.328 -0.068 0.000 1.096 325 H CA -0.332 55.671 56.048 -0.075 0.000 1.579 325 H CB 0.672 30.415 29.762 -0.032 0.000 1.834 325 H HN 0.778 nan 8.280 nan 0.000 0.510 326 C N 5.564 124.760 119.300 -0.173 0.000 2.398 326 C HA 0.493 4.954 4.460 0.001 0.000 0.364 326 C C 0.744 175.690 174.990 -0.073 0.000 1.219 326 C CA -0.496 58.427 59.018 -0.159 0.000 2.312 326 C CB 0.556 28.203 27.740 -0.156 0.000 2.428 326 C HN 0.898 nan 8.230 nan 0.000 0.564 327 H N -0.385 118.736 119.070 0.085 0.000 2.949 327 H HA 0.452 5.008 4.556 0.001 0.000 0.310 327 H C -0.631 174.768 175.328 0.119 0.000 1.405 327 H CA -0.939 55.169 56.048 0.100 0.000 1.253 327 H CB 0.475 30.310 29.762 0.121 0.000 1.932 327 H HN 0.563 nan 8.280 nan 0.000 0.602 328 K N 0.096 120.703 120.400 0.346 0.000 2.477 328 K HA -0.047 4.274 4.320 0.001 0.000 0.275 328 K C 0.833 177.653 176.600 0.367 0.000 1.054 328 K CA 1.815 58.281 56.287 0.297 0.000 1.135 328 K CB -0.480 32.197 32.500 0.295 0.000 0.854 328 K HN 0.953 nan 8.250 nan 0.000 0.484 329 G N 2.590 111.592 108.800 0.336 0.000 2.258 329 G HA2 -0.276 3.684 3.960 0.001 0.000 0.233 329 G HA3 -0.276 3.684 3.960 0.001 0.000 0.233 329 G C 0.072 175.134 174.900 0.271 0.000 1.006 329 G CA 0.113 45.461 45.100 0.412 0.000 0.620 329 G HN 0.638 nan 8.290 nan 0.000 0.511 330 Q N -0.333 119.558 119.800 0.151 0.000 2.318 330 Q HA 0.633 4.973 4.340 0.001 0.000 0.222 330 Q C -0.045 176.105 176.000 0.250 0.000 1.003 330 Q CA -0.328 55.555 55.803 0.134 0.000 0.936 330 Q CB 0.833 29.492 28.738 -0.133 0.000 1.204 330 Q HN 0.753 nan 8.270 nan 0.000 0.524 331 Y N -1.492 118.818 120.300 0.017 0.000 2.576 331 Y HA 0.774 5.324 4.550 0.001 0.000 0.346 331 Y C -1.054 174.891 175.900 0.075 0.000 1.018 331 Y CA -1.513 56.583 58.100 -0.007 0.000 1.050 331 Y CB 1.157 39.581 38.460 -0.060 0.000 1.280 331 Y HN 0.554 nan 8.280 nan 0.000 0.474 332 F N -1.591 118.361 119.950 0.003 0.000 2.662 332 F HA 0.814 5.341 4.527 0.001 0.000 0.312 332 F C 0.478 176.336 175.800 0.096 0.000 1.113 332 F CA -1.211 56.724 58.000 -0.108 0.000 0.951 332 F CB 1.709 40.607 39.000 -0.170 0.000 1.344 332 F HN 0.983 nan 8.300 nan 0.000 0.462 333 G N 0.738 109.654 108.800 0.195 0.000 2.157 333 G HA2 -0.326 3.635 3.960 0.001 0.000 0.248 333 G HA3 -0.326 3.635 3.960 0.001 0.000 0.248 333 G C 0.457 175.433 174.900 0.126 0.000 0.979 333 G CA 0.516 45.731 45.100 0.192 0.000 0.650 333 G HN 0.865 nan 8.290 nan 0.000 0.529 334 E N 0.458 120.684 120.200 0.044 0.000 2.147 334 E HA -0.105 4.246 4.350 0.001 0.000 0.199 334 E C 2.415 178.964 176.600 -0.085 0.000 1.005 334 E CA 1.343 57.717 56.400 -0.043 0.000 0.810 334 E CB -0.395 29.276 29.700 -0.048 0.000 0.736 334 E HN 0.594 nan 8.360 nan 0.000 0.460 335 L N 0.327 121.506 121.223 -0.074 0.000 2.349 335 L HA -0.149 4.191 4.340 0.001 0.000 0.220 335 L C 2.264 179.130 176.870 -0.006 0.000 1.130 335 L CA 0.821 55.617 54.840 -0.074 0.000 0.791 335 L CB -0.452 41.574 42.059 -0.054 0.000 0.918 335 L HN 0.228 nan 8.230 nan 0.000 0.444 336 A N -0.281 122.557 122.820 0.030 0.000 2.067 336 A HA -0.097 4.224 4.320 0.001 0.000 0.219 336 A C 2.180 179.790 177.584 0.044 0.000 1.158 336 A CA 1.034 53.105 52.037 0.057 0.000 0.661 336 A CB -0.394 18.660 19.000 0.091 0.000 0.801 336 A HN 0.411 nan 8.150 nan 0.000 0.452 337 L N -0.539 120.680 121.223 -0.007 0.000 2.313 337 L HA -0.060 4.281 4.340 0.001 0.000 0.214 337 L C 1.798 178.673 176.870 0.009 0.000 1.119 337 L CA 1.045 55.854 54.840 -0.052 0.000 0.809 337 L CB 0.095 42.019 42.059 -0.226 0.000 0.933 337 L HN 0.415 nan 8.230 nan 0.000 0.449 338 V N -5.540 114.391 119.914 0.029 0.000 3.477 338 V HA 0.275 4.396 4.120 0.001 0.000 0.297 338 V C 0.613 176.802 176.094 0.159 0.000 1.433 338 V CA 0.252 62.621 62.300 0.116 0.000 1.052 338 V CB -0.264 31.659 31.823 0.167 0.000 0.895 338 V HN 0.361 nan 8.190 nan 0.000 0.438 339 T N -2.349 112.274 114.554 0.114 0.000 2.681 339 T HA 0.583 4.934 4.350 0.001 0.000 0.296 339 T C -0.897 173.850 174.700 0.079 0.000 1.157 339 T CA -0.437 61.730 62.100 0.112 0.000 1.025 339 T CB 2.044 70.993 68.868 0.134 0.000 1.441 339 T HN 0.097 nan 8.240 nan 0.000 0.504 340 N N 0.226 118.967 118.700 0.069 0.000 2.664 340 N HA 0.288 5.029 4.740 0.001 0.000 0.287 340 N C -1.178 174.360 175.510 0.047 0.000 1.869 340 N CA -0.729 52.353 53.050 0.055 0.000 0.832 340 N CB 0.764 39.281 38.487 0.050 0.000 1.293 340 N HN 0.675 nan 8.380 nan 0.000 0.498 341 K N -0.881 119.548 120.400 0.049 0.000 2.267 341 K HA 0.701 5.022 4.320 0.001 0.000 0.246 341 K C -2.881 173.741 176.600 0.038 0.000 0.954 341 K CA -1.860 54.452 56.287 0.041 0.000 0.824 341 K CB 1.218 33.744 32.500 0.044 0.000 1.167 341 K HN -0.211 nan 8.250 nan 0.000 0.431 342 P HA 0.015 nan 4.420 nan 0.000 0.269 342 P C -0.758 176.559 177.300 0.028 0.000 1.211 342 P CA -0.348 62.769 63.100 0.028 0.000 0.781 342 P CB 0.390 32.104 31.700 0.023 0.000 0.877 343 R N 0.996 121.511 120.500 0.026 0.000 2.585 343 R HA 0.145 4.486 4.340 0.001 0.000 0.275 343 R C 1.383 177.691 176.300 0.013 0.000 1.018 343 R CA 0.708 56.822 56.100 0.022 0.000 1.072 343 R CB -0.144 30.165 30.300 0.015 0.000 0.953 343 R HN 0.546 nan 8.270 nan 0.000 0.419 344 A N 2.827 125.654 122.820 0.010 0.000 1.929 344 A HA 0.249 4.570 4.320 0.001 0.000 0.216 344 A C 0.625 178.208 177.584 -0.002 0.000 1.176 344 A CA 1.579 53.620 52.037 0.006 0.000 0.628 344 A CB 0.003 19.006 19.000 0.005 0.000 0.816 344 A HN 0.705 nan 8.150 nan 0.000 0.444 345 A N -1.701 121.112 122.820 -0.012 0.000 2.532 345 A HA 0.687 5.008 4.320 0.001 0.000 0.290 345 A C -0.220 177.335 177.584 -0.048 0.000 1.143 345 A CA -0.279 51.745 52.037 -0.021 0.000 0.728 345 A CB 0.735 19.719 19.000 -0.028 0.000 1.317 345 A HN 0.196 nan 8.150 nan 0.000 0.414 346 S N -0.589 115.083 115.700 -0.047 0.000 2.654 346 S HA 0.753 5.223 4.470 0.001 0.000 0.283 346 S C -0.082 174.378 174.600 -0.233 0.000 1.180 346 S CA 0.084 58.197 58.200 -0.145 0.000 1.021 346 S CB 1.518 64.684 63.200 -0.057 0.000 1.018 346 S HN 1.595 nan 8.310 nan 0.000 0.532 347 A N 1.799 124.319 122.820 -0.500 0.000 2.374 347 A HA 0.750 5.071 4.320 0.001 0.000 0.305 347 A C -1.803 175.341 177.584 -0.733 0.000 1.053 347 A CA -0.566 51.141 52.037 -0.551 0.000 0.726 347 A CB 0.609 19.183 19.000 -0.710 0.000 1.229 347 A HN 0.703 nan 8.150 nan 0.000 0.431 348 Y N 0.550 120.641 120.300 -0.349 0.000 2.485 348 Y HA 0.574 5.124 4.550 0.001 0.000 0.345 348 Y C 1.014 176.734 175.900 -0.299 0.000 0.998 348 Y CA -0.588 57.353 58.100 -0.265 0.000 1.059 348 Y CB 2.089 40.449 38.460 -0.167 0.000 1.234 348 Y HN 0.835 nan 8.280 nan 0.000 0.461 349 G N 1.096 109.839 108.800 -0.094 0.000 2.361 349 G HA2 0.386 4.347 3.960 0.001 0.000 0.260 349 G HA3 0.386 4.347 3.960 0.001 0.000 0.260 349 G C -0.791 174.084 174.900 -0.042 0.000 1.261 349 G CA -0.380 44.657 45.100 -0.105 0.000 0.897 349 G HN 0.466 nan 8.290 nan 0.000 0.499 350 V N 3.650 123.517 119.914 -0.077 0.000 2.218 350 V HA 0.647 4.768 4.120 0.001 0.000 0.261 350 V C 1.090 177.192 176.094 0.013 0.000 1.142 350 V CA 0.679 62.961 62.300 -0.030 0.000 0.965 350 V CB -0.754 31.038 31.823 -0.052 0.000 1.190 350 V HN 1.557 nan 8.190 nan 0.000 0.478 351 G N 4.338 113.154 108.800 0.027 0.000 2.548 351 G HA2 -0.154 3.807 3.960 0.001 0.000 0.208 351 G HA3 -0.154 3.807 3.960 0.001 0.000 0.208 351 G C -0.801 174.131 174.900 0.052 0.000 1.308 351 G CA -0.607 44.517 45.100 0.040 0.000 0.924 351 G HN 0.561 nan 8.290 nan 0.000 0.540 352 D N -0.073 120.362 120.400 0.059 0.000 2.348 352 D HA 0.522 5.163 4.640 0.001 0.000 0.253 352 D C 0.329 176.681 176.300 0.086 0.000 1.161 352 D CA 0.327 54.371 54.000 0.074 0.000 0.876 352 D CB 1.549 42.387 40.800 0.063 0.000 1.160 352 D HN 0.496 nan 8.370 nan 0.000 0.459 353 V N 2.950 122.939 119.914 0.124 0.000 2.823 353 V HA 0.488 4.609 4.120 0.001 0.000 0.312 353 V C -0.270 175.943 176.094 0.199 0.000 1.072 353 V CA -0.899 61.484 62.300 0.138 0.000 0.937 353 V CB 2.198 34.081 31.823 0.100 0.000 1.013 353 V HN 0.371 nan 8.190 nan 0.000 0.430 354 K N 2.267 122.757 120.400 0.151 0.000 2.578 354 K HA 0.693 5.013 4.320 0.001 0.000 0.250 354 K C -1.657 175.002 176.600 0.099 0.000 0.955 354 K CA -0.242 56.130 56.287 0.142 0.000 0.825 354 K CB 1.531 34.083 32.500 0.086 0.000 1.151 354 K HN 0.821 nan 8.250 nan 0.000 0.432 355 C N 3.750 123.146 119.300 0.160 0.000 2.707 355 C HA 0.531 4.992 4.460 0.001 0.000 0.313 355 C C -0.473 174.511 174.990 -0.011 0.000 1.209 355 C CA -1.034 58.039 59.018 0.091 0.000 1.635 355 C CB 0.861 28.749 27.740 0.247 0.000 2.206 355 C HN 0.752 nan 8.230 nan 0.000 0.485 356 L N 2.276 123.411 121.223 -0.146 0.000 2.276 356 L HA 0.579 4.919 4.340 0.001 0.000 0.286 356 L C -0.576 176.093 176.870 -0.335 0.000 1.061 356 L CA -0.207 54.463 54.840 -0.282 0.000 0.807 356 L CB 1.056 42.903 42.059 -0.353 0.000 1.177 356 L HN 0.420 nan 8.230 nan 0.000 0.429 357 V N 4.537 124.206 119.914 -0.409 0.000 2.384 357 V HA 0.425 4.546 4.120 0.001 0.000 0.287 357 V C -0.120 175.584 176.094 -0.650 0.000 1.020 357 V CA -0.432 61.485 62.300 -0.638 0.000 0.850 357 V CB 1.600 33.124 31.823 -0.498 0.000 0.987 357 V HN 0.673 nan 8.190 nan 0.000 0.436 358 M N 4.448 123.476 119.600 -0.954 0.000 2.243 358 M HA 0.445 4.926 4.480 0.001 0.000 0.324 358 M C -0.586 175.301 176.300 -0.688 0.000 1.031 358 M CA -0.369 54.418 55.300 -0.854 0.000 0.949 358 M CB 1.475 33.369 32.600 -1.176 0.000 1.615 358 M HN 0.731 nan 8.290 nan 0.000 0.430 359 D N 3.697 123.891 120.400 -0.343 0.000 2.390 359 D HA 0.095 4.736 4.640 0.001 0.000 0.249 359 D C 0.627 176.897 176.300 -0.050 0.000 1.144 359 D CA 0.004 53.894 54.000 -0.184 0.000 0.880 359 D CB 1.373 42.109 40.800 -0.107 0.000 1.182 359 D HN 0.565 nan 8.370 nan 0.000 0.451 360 V N 4.435 124.353 119.914 0.007 0.000 2.343 360 V HA -0.266 3.855 4.120 0.001 0.000 0.247 360 V C 2.539 178.730 176.094 0.163 0.000 1.051 360 V CA 1.618 63.991 62.300 0.122 0.000 1.036 360 V CB -0.529 31.352 31.823 0.097 0.000 0.654 360 V HN 0.637 nan 8.190 nan 0.000 0.451 361 Q N -0.257 119.597 119.800 0.091 0.000 2.124 361 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 361 Q C 2.433 178.482 176.000 0.080 0.000 0.977 361 Q CA 1.754 57.606 55.803 0.081 0.000 0.850 361 Q CB -0.381 28.383 28.738 0.043 0.000 0.901 361 Q HN 0.690 nan 8.270 nan 0.000 0.429 362 A N 0.517 123.375 122.820 0.063 0.000 1.898 362 A HA -0.185 4.135 4.320 0.001 0.000 0.216 362 A C 1.848 179.471 177.584 0.064 0.000 1.181 362 A CA 1.002 53.061 52.037 0.035 0.000 0.620 362 A CB -0.810 18.190 19.000 -0.001 0.000 0.819 362 A HN 0.453 nan 8.150 nan 0.000 0.442 363 F N 0.974 120.912 119.950 -0.019 0.000 2.095 363 F HA -0.212 4.316 4.527 0.001 0.000 0.298 363 F C 2.301 178.104 175.800 0.004 0.000 1.104 363 F CA 2.346 60.347 58.000 0.001 0.000 1.232 363 F CB -0.148 38.906 39.000 0.090 0.000 0.987 363 F HN 0.340 nan 8.300 nan 0.000 0.475 364 E N -0.001 120.357 120.200 0.263 0.000 2.077 364 E HA -0.221 4.130 4.350 0.001 0.000 0.193 364 E C 2.326 178.925 176.600 -0.002 0.000 0.989 364 E CA 1.187 57.669 56.400 0.138 0.000 0.800 364 E CB -0.244 29.554 29.700 0.164 0.000 0.746 364 E HN 0.476 nan 8.360 nan 0.000 0.452 365 R N 0.335 120.835 120.500 -0.000 0.000 2.127 365 R HA -0.112 4.228 4.340 0.001 0.000 0.238 365 R C 2.409 178.665 176.300 -0.073 0.000 1.134 365 R CA 0.878 56.961 56.100 -0.027 0.000 0.975 365 R CB -0.185 30.105 30.300 -0.016 0.000 0.865 365 R HN 0.203 nan 8.270 nan 0.000 0.447 366 L N -0.220 120.926 121.223 -0.127 0.000 2.102 366 L HA -0.040 4.301 4.340 0.001 0.000 0.202 366 L C 1.879 178.611 176.870 -0.230 0.000 1.076 366 L CA 0.969 55.704 54.840 -0.174 0.000 0.761 366 L CB 0.028 41.963 42.059 -0.207 0.000 0.921 366 L HN 0.146 nan 8.230 nan 0.000 0.444 367 L N -1.270 119.737 121.223 -0.361 0.000 2.766 367 L HA 0.403 4.744 4.340 0.001 0.000 0.242 367 L C 0.781 177.528 176.870 -0.205 0.000 1.136 367 L CA 0.073 54.699 54.840 -0.356 0.000 0.933 367 L CB 0.277 41.951 42.059 -0.642 0.000 1.241 367 L HN 0.335 nan 8.230 nan 0.000 0.522 368 G N 1.433 110.156 108.800 -0.129 0.000 2.757 368 G HA2 -0.164 3.797 3.960 0.001 0.000 0.638 368 G HA3 -0.164 3.797 3.960 0.001 0.000 0.638 368 G C -2.810 172.134 174.900 0.074 0.000 1.344 368 G CA -0.941 44.148 45.100 -0.019 0.000 0.855 368 G HN -0.020 nan 8.290 nan 0.000 0.537 369 P HA 0.185 nan 4.420 nan 0.000 0.268 369 P C 1.316 178.756 177.300 0.233 0.000 1.205 369 P CA 0.401 63.606 63.100 0.176 0.000 0.771 369 P CB 1.207 32.978 31.700 0.119 0.000 0.858 370 C N 3.697 123.174 119.300 0.294 0.000 2.422 370 C HA -0.134 4.326 4.460 0.001 0.000 0.279 370 C C 2.687 177.792 174.990 0.192 0.000 1.305 370 C CA 0.758 59.945 59.018 0.281 0.000 1.757 370 C CB -1.519 26.288 27.740 0.113 0.000 1.962 370 C HN 0.462 nan 8.230 nan 0.000 0.499 371 M N 0.777 120.479 119.600 0.170 0.000 2.108 371 M HA -0.116 4.365 4.480 0.001 0.000 0.261 371 M C 1.682 178.061 176.300 0.130 0.000 1.066 371 M CA 1.798 57.206 55.300 0.180 0.000 1.107 371 M CB -1.473 31.235 32.600 0.179 0.000 1.356 371 M HN 0.442 nan 8.290 nan 0.000 0.406 372 D N 0.207 120.662 120.400 0.092 0.000 2.117 372 D HA -0.067 4.574 4.640 0.001 0.000 0.198 372 D C 2.133 178.448 176.300 0.026 0.000 0.982 372 D CA 1.067 55.085 54.000 0.030 0.000 0.828 372 D CB -0.274 40.543 40.800 0.028 0.000 0.967 372 D HN 0.374 nan 8.370 nan 0.000 0.464 373 I N 0.540 121.161 120.570 0.085 0.000 2.208 373 I HA -0.264 3.907 4.170 0.001 0.000 0.245 373 I C 2.409 178.577 176.117 0.085 0.000 1.097 373 I CA 0.927 62.284 61.300 0.095 0.000 1.363 373 I CB -0.196 37.915 38.000 0.185 0.000 1.051 373 I HN -0.057 nan 8.210 nan 0.000 0.413 374 M N -0.158 119.512 119.600 0.115 0.000 2.279 374 M HA -0.214 4.266 4.480 0.001 0.000 0.264 374 M C 2.190 178.554 176.300 0.105 0.000 1.062 374 M CA 1.616 57.008 55.300 0.153 0.000 1.099 374 M CB -0.232 32.517 32.600 0.247 0.000 1.394 374 M HN 0.074 nan 8.290 nan 0.000 0.426 375 K N -0.156 120.174 120.400 -0.116 0.000 2.323 375 K HA 0.041 4.362 4.320 0.001 0.000 0.197 375 K C 1.859 178.327 176.600 -0.219 0.000 1.043 375 K CA 0.145 56.145 56.287 -0.478 0.000 0.997 375 K CB 0.252 32.304 32.500 -0.747 0.000 0.807 375 K HN 0.211 nan 8.250 nan 0.000 0.497 376 R N 0.854 121.297 120.500 -0.095 0.000 2.159 376 R HA -0.172 4.169 4.340 0.001 0.000 0.249 376 R C 0.957 177.237 176.300 -0.034 0.000 1.136 376 R CA 1.286 57.354 56.100 -0.052 0.000 0.951 376 R CB -0.522 29.768 30.300 -0.018 0.000 0.876 376 R HN 0.143 nan 8.270 nan 0.000 0.440 377 N N 1.101 119.798 118.700 -0.006 0.000 2.645 377 N HA -0.010 4.731 4.740 0.001 0.000 0.233 377 N C 0.610 176.172 175.510 0.088 0.000 1.058 377 N CA -0.016 53.051 53.050 0.029 0.000 0.942 377 N CB 0.925 39.411 38.487 -0.001 0.000 1.210 377 N HN 0.018 nan 8.380 nan 0.000 0.512 378 I N 3.244 123.848 120.570 0.057 0.000 2.335 378 I HA -0.249 3.922 4.170 0.001 0.000 0.251 378 I C 2.171 178.384 176.117 0.160 0.000 1.129 378 I CA 1.406 62.755 61.300 0.083 0.000 1.402 378 I CB -0.179 37.843 38.000 0.037 0.000 1.069 378 I HN 0.593 nan 8.210 nan 0.000 0.424 379 S N -1.646 114.162 115.700 0.180 0.000 2.555 379 S HA -0.108 4.363 4.470 0.001 0.000 0.230 379 S C 1.393 176.033 174.600 0.067 0.000 0.978 379 S CA 0.834 59.117 58.200 0.138 0.000 0.934 379 S CB -0.634 62.648 63.200 0.137 0.000 0.766 379 S HN 0.594 nan 8.310 nan 0.000 0.533 380 H N -1.467 117.660 119.070 0.095 0.000 2.893 380 H HA 0.347 4.904 4.556 0.001 0.000 0.270 380 H C 0.938 176.361 175.328 0.158 0.000 1.095 380 H CA -0.485 55.620 56.048 0.095 0.000 1.186 380 H CB -0.208 29.596 29.762 0.069 0.000 1.562 380 H HN 0.500 nan 8.280 nan 0.000 0.536 381 Y N 1.573 121.942 120.300 0.115 0.000 2.097 381 Y HA -0.268 4.283 4.550 0.001 0.000 0.282 381 Y C 2.575 178.515 175.900 0.066 0.000 1.152 381 Y CA 1.425 59.575 58.100 0.083 0.000 1.136 381 Y CB 0.375 38.873 38.460 0.065 0.000 0.975 381 Y HN 0.209 nan 8.280 nan 0.000 0.498 382 E N 0.687 120.897 120.200 0.017 0.000 2.023 382 E HA -0.334 4.017 4.350 0.001 0.000 0.196 382 E C 2.136 178.705 176.600 -0.051 0.000 1.003 382 E CA 1.782 58.119 56.400 -0.104 0.000 0.809 382 E CB -0.361 29.307 29.700 -0.053 0.000 0.755 382 E HN 0.677 nan 8.360 nan 0.000 0.449 383 E N 0.047 120.244 120.200 -0.004 0.000 2.065 383 E HA -0.281 4.070 4.350 0.001 0.000 0.201 383 E C 2.090 178.708 176.600 0.030 0.000 1.016 383 E CA 1.644 58.050 56.400 0.010 0.000 0.818 383 E CB -0.058 29.654 29.700 0.020 0.000 0.749 383 E HN 0.273 nan 8.360 nan 0.000 0.453 384 Q N 0.231 120.072 119.800 0.068 0.000 2.061 384 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 384 Q C 2.619 178.640 176.000 0.036 0.000 0.984 384 Q CA 1.402 57.245 55.803 0.067 0.000 0.846 384 Q CB -0.327 28.496 28.738 0.141 0.000 0.902 384 Q HN 0.451 nan 8.270 nan 0.000 0.421 385 L N 0.004 121.232 121.223 0.008 0.000 2.012 385 L HA -0.177 4.163 4.340 0.001 0.000 0.210 385 L C 2.490 179.431 176.870 0.117 0.000 1.073 385 L CA 0.842 55.721 54.840 0.065 0.000 0.748 385 L CB -0.572 41.406 42.059 -0.135 0.000 0.891 385 L HN 0.027 nan 8.230 nan 0.000 0.431 386 V N -0.062 119.872 119.914 0.034 0.000 2.515 386 V HA -0.255 3.865 4.120 0.001 0.000 0.250 386 V C 2.518 178.620 176.094 0.012 0.000 1.058 386 V CA 1.724 64.044 62.300 0.032 0.000 1.064 386 V CB -0.454 31.371 31.823 0.003 0.000 0.675 386 V HN 0.388 nan 8.190 nan 0.000 0.461 387 K N 0.457 120.851 120.400 -0.010 0.000 2.025 387 K HA -0.156 4.165 4.320 0.001 0.000 0.207 387 K C 1.987 178.519 176.600 -0.114 0.000 1.049 387 K CA 1.915 58.176 56.287 -0.044 0.000 0.933 387 K CB -0.417 32.067 32.500 -0.025 0.000 0.714 387 K HN 0.316 nan 8.250 nan 0.000 0.438 388 M N -0.814 118.673 119.600 -0.187 0.000 2.156 388 M HA 0.133 4.614 4.480 0.001 0.000 0.264 388 M C 0.578 176.497 176.300 -0.635 0.000 1.067 388 M CA 1.561 56.576 55.300 -0.476 0.000 1.131 388 M CB 0.115 32.289 32.600 -0.709 0.000 1.368 388 M HN 0.145 nan 8.290 nan 0.000 0.416 389 F N -0.670 119.258 119.950 -0.036 0.000 2.683 389 F HA 0.477 5.005 4.527 0.001 0.000 0.306 389 F C 1.187 176.966 175.800 -0.035 0.000 1.102 389 F CA -0.490 57.489 58.000 -0.034 0.000 1.244 389 F CB -0.641 38.338 39.000 -0.035 0.000 1.029 389 F HN 0.073 nan 8.300 nan 0.000 0.545 390 G N 0.238 109.081 108.800 0.072 0.000 2.557 390 G HA2 0.326 4.287 3.960 0.001 0.000 0.292 390 G HA3 0.326 4.287 3.960 0.001 0.000 0.292 390 G C 0.892 175.800 174.900 0.013 0.000 1.237 390 G CA 0.137 45.262 45.100 0.041 0.000 0.978 390 G HN 0.201 nan 8.290 nan 0.000 0.498 391 S N 0.722 116.426 115.700 0.007 0.000 2.444 391 S HA -0.184 4.287 4.470 0.001 0.000 0.225 391 S C 1.226 175.818 174.600 -0.013 0.000 1.042 391 S CA 1.173 59.373 58.200 -0.001 0.000 1.132 391 S CB -0.944 62.255 63.200 -0.002 0.000 1.099 391 S HN 0.624 nan 8.310 nan 0.000 0.417 392 N N 0.000 118.690 118.700 -0.017 0.000 1.763 392 N HA 0.000 4.741 4.740 0.001 0.000 0.220 392 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 392 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667