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 3edc_1_D DATA FIRST_RESID 61 DATA SEQUENCE SLLIGVATSS LALHAPSQIV AAIKSRADQL GASVVVSMVE RSGVEACKAA DATA SEQUENCE VHNLLAQRVS GLIINYPLDD QDAIAVEAAC TNVPALFLDV SDQTPINSII DATA SEQUENCE FSHEDGTRLG VEHLVALGHQ QIALLAGPLS SVSARLRLAG WHKYLTRNQI DATA SEQUENCE QPIAEREGDW SAMSGFQQTM QMLNEGIVPT AMLVANDQMA LGAMRAITES DATA SEQUENCE GLRVGADISV VGYDDTEDSS CYIPPLTTIK QDFRLLGQTS VDRLLQLSQG DATA SEQUENCE QAVKGNQLLP VSLVKRKTTL APNTQTASPR ALADSLMQLA RQVSRLESGQ 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 61 S HA 0.000 nan 4.470 nan 0.000 0.327 61 S C 0.000 174.594 174.600 -0.010 0.000 1.055 61 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 61 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 62 L N 1.447 122.663 121.223 -0.011 0.000 1.549 62 L HA 0.205 4.546 4.340 0.000 0.000 0.607 62 L C -1.818 175.044 176.870 -0.014 0.000 1.001 62 L CA 0.533 55.366 54.840 -0.012 0.000 1.284 62 L CB -1.145 40.908 42.059 -0.010 0.000 2.119 62 L HN 0.702 nan 8.230 nan 0.000 1.058 63 L N 6.521 127.734 121.223 -0.017 0.000 2.349 63 L HA 0.766 5.106 4.340 0.000 0.000 0.278 63 L C -0.496 176.359 176.870 -0.024 0.000 0.996 63 L CA -0.127 54.701 54.840 -0.020 0.000 0.825 63 L CB 1.398 43.444 42.059 -0.022 0.000 1.243 63 L HN 0.460 nan 8.230 nan 0.000 0.412 64 I N 4.582 125.136 120.570 -0.026 0.000 2.336 64 I HA 0.492 4.662 4.170 0.000 0.000 0.292 64 I C 0.744 176.839 176.117 -0.037 0.000 0.991 64 I CA -0.471 60.811 61.300 -0.031 0.000 1.227 64 I CB 1.663 39.646 38.000 -0.028 0.000 1.366 64 I HN 0.763 nan 8.210 nan 0.000 0.466 65 G N 5.589 114.362 108.800 -0.045 0.000 2.356 65 G HA2 0.553 4.513 3.960 0.000 0.000 0.298 65 G HA3 0.553 4.513 3.960 0.000 0.000 0.298 65 G C -0.771 174.093 174.900 -0.059 0.000 1.145 65 G CA -0.264 44.806 45.100 -0.051 0.000 0.850 65 G HN 0.361 nan 8.290 nan 0.000 0.487 66 V N 1.486 121.369 119.914 -0.053 0.000 2.444 66 V HA 0.644 4.764 4.120 0.000 0.000 0.294 66 V C 0.326 176.390 176.094 -0.051 0.000 1.022 66 V CA -0.937 61.331 62.300 -0.053 0.000 0.850 66 V CB 1.339 33.139 31.823 -0.038 0.000 0.992 66 V HN 1.053 nan 8.190 nan 0.000 0.426 67 A N 3.330 126.114 122.820 -0.060 0.000 2.252 67 A HA 0.769 5.089 4.320 0.000 0.000 0.309 67 A C 0.030 177.609 177.584 -0.009 0.000 1.285 67 A CA -0.291 51.713 52.037 -0.055 0.000 0.900 67 A CB 1.030 19.980 19.000 -0.085 0.000 1.157 67 A HN 0.748 nan 8.150 nan 0.000 0.536 68 T N 1.345 115.906 114.554 0.013 0.000 2.893 68 T HA 0.593 4.944 4.350 0.000 0.000 0.291 68 T C 0.493 175.275 174.700 0.137 0.000 1.028 68 T CA 0.059 62.198 62.100 0.065 0.000 0.995 68 T CB 0.908 69.785 68.868 0.016 0.000 1.051 68 T HN 1.065 nan 8.240 nan 0.000 0.470 69 S N 2.765 118.590 115.700 0.209 0.000 2.617 69 S HA 0.341 4.812 4.470 0.000 0.000 0.259 69 S C 0.630 175.282 174.600 0.087 0.000 1.301 69 S CA -0.649 57.688 58.200 0.228 0.000 0.984 69 S CB 0.356 63.593 63.200 0.062 0.000 0.954 69 S HN 0.816 nan 8.310 nan 0.000 0.572 70 S N 0.018 115.765 115.700 0.078 0.000 2.885 70 S HA -0.024 4.447 4.470 0.000 0.000 0.334 70 S C 0.858 175.461 174.600 0.005 0.000 1.224 70 S CA -0.373 57.851 58.200 0.041 0.000 1.080 70 S CB -1.082 62.144 63.200 0.043 0.000 0.801 70 S HN 0.576 nan 8.310 nan 0.000 0.510 71 L N 4.767 125.996 121.223 0.010 0.000 2.610 71 L HA 0.030 4.370 4.340 0.000 0.000 0.232 71 L C 2.391 179.277 176.870 0.026 0.000 1.149 71 L CA 0.547 55.389 54.840 0.003 0.000 0.872 71 L CB -0.617 41.444 42.059 0.004 0.000 0.992 71 L HN 0.823 nan 8.230 nan 0.000 0.447 72 A N 0.071 122.907 122.820 0.028 0.000 2.070 72 A HA -0.027 4.293 4.320 0.000 0.000 0.220 72 A C 1.163 178.762 177.584 0.026 0.000 1.159 72 A CA 0.806 52.868 52.037 0.043 0.000 0.656 72 A CB -0.299 18.721 19.000 0.033 0.000 0.800 72 A HN 0.319 nan 8.150 nan 0.000 0.453 73 L N -0.891 120.313 121.223 -0.030 0.000 2.357 73 L HA 0.304 4.644 4.340 0.000 0.000 0.273 73 L C 1.254 178.101 176.870 -0.039 0.000 1.080 73 L CA -0.978 53.783 54.840 -0.132 0.000 0.803 73 L CB 0.801 42.745 42.059 -0.193 0.000 1.174 73 L HN 0.289 nan 8.230 nan 0.000 0.443 74 H N 1.913 120.939 119.070 -0.073 0.000 2.395 74 H HA -0.029 4.527 4.556 0.001 0.000 0.299 74 H C 1.858 177.070 175.328 -0.194 0.000 1.070 74 H CA 1.207 57.206 56.048 -0.082 0.000 1.356 74 H CB -0.147 29.606 29.762 -0.015 0.000 1.401 74 H HN 0.788 nan 8.280 nan 0.000 0.524 75 A N 1.795 124.510 122.820 -0.174 0.000 1.858 75 A HA -0.086 4.234 4.320 0.000 0.000 0.216 75 A C -0.075 177.171 177.584 -0.563 0.000 1.190 75 A CA 1.465 53.178 52.037 -0.541 0.000 0.617 75 A CB -1.368 17.351 19.000 -0.469 0.000 0.827 75 A HN 0.330 nan 8.150 nan 0.000 0.443 76 P HA -0.086 nan 4.420 nan 0.000 0.218 76 P C 1.593 178.792 177.300 -0.169 0.000 1.148 76 P CA 1.748 64.709 63.100 -0.232 0.000 0.822 76 P CB -0.192 31.414 31.700 -0.157 0.000 0.784 77 S N -0.253 115.369 115.700 -0.129 0.000 2.368 77 S HA -0.192 4.279 4.470 0.000 0.000 0.225 77 S C 1.974 176.517 174.600 -0.095 0.000 1.030 77 S CA 1.218 59.372 58.200 -0.076 0.000 0.999 77 S CB -0.788 62.398 63.200 -0.023 0.000 0.844 77 S HN 0.350 nan 8.310 nan 0.000 0.459 78 Q N 0.224 119.930 119.800 -0.157 0.000 2.172 78 Q HA 0.048 4.389 4.340 0.000 0.000 0.200 78 Q C 2.072 178.021 176.000 -0.086 0.000 0.964 78 Q CA 0.879 56.616 55.803 -0.111 0.000 0.855 78 Q CB -0.289 28.392 28.738 -0.094 0.000 0.918 78 Q HN 0.535 nan 8.270 nan 0.000 0.444 79 I N 0.491 120.945 120.570 -0.193 0.000 2.202 79 I HA -0.240 3.931 4.170 0.000 0.000 0.242 79 I C 2.428 178.532 176.117 -0.021 0.000 1.091 79 I CA 1.097 62.358 61.300 -0.065 0.000 1.368 79 I CB -0.507 37.433 38.000 -0.100 0.000 1.058 79 I HN 0.130 nan 8.210 nan 0.000 0.410 80 V N -0.528 119.360 119.914 -0.044 0.000 2.407 80 V HA -0.176 3.944 4.120 0.000 0.000 0.248 80 V C 2.544 178.632 176.094 -0.011 0.000 1.055 80 V CA 1.645 63.931 62.300 -0.024 0.000 1.049 80 V CB -1.390 30.416 31.823 -0.027 0.000 0.662 80 V HN 0.334 nan 8.190 nan 0.000 0.455 81 A N 0.623 123.436 122.820 -0.011 0.000 1.969 81 A HA 0.175 4.496 4.320 0.000 0.000 0.218 81 A C 2.468 180.062 177.584 0.017 0.000 1.169 81 A CA 2.047 54.084 52.037 0.001 0.000 0.635 81 A CB -0.923 18.076 19.000 -0.001 0.000 0.810 81 A HN 0.935 nan 8.150 nan 0.000 0.445 82 A N -0.043 122.797 122.820 0.034 0.000 1.898 82 A HA -0.021 4.299 4.320 0.000 0.000 0.216 82 A C 2.091 179.697 177.584 0.035 0.000 1.181 82 A CA 1.369 53.437 52.037 0.053 0.000 0.620 82 A CB -0.543 18.517 19.000 0.100 0.000 0.819 82 A HN 0.470 nan 8.150 nan 0.000 0.442 83 I N -0.481 120.104 120.570 0.026 0.000 2.179 83 I HA -0.266 3.905 4.170 0.000 0.000 0.242 83 I C 2.534 178.654 176.117 0.005 0.000 1.088 83 I CA 1.898 63.206 61.300 0.012 0.000 1.357 83 I CB -0.138 37.863 38.000 0.001 0.000 1.051 83 I HN 0.290 nan 8.210 nan 0.000 0.409 84 K N 1.171 121.573 120.400 0.003 0.000 2.057 84 K HA -0.128 4.193 4.320 0.000 0.000 0.207 84 K C 2.057 178.658 176.600 0.002 0.000 1.049 84 K CA 1.978 58.264 56.287 -0.001 0.000 0.931 84 K CB -0.308 32.190 32.500 -0.003 0.000 0.714 84 K HN 0.174 nan 8.250 nan 0.000 0.440 85 S N 0.369 116.073 115.700 0.008 0.000 2.368 85 S HA -0.115 4.355 4.470 0.000 0.000 0.224 85 S C 1.917 176.521 174.600 0.008 0.000 1.029 85 S CA 1.304 59.510 58.200 0.009 0.000 0.988 85 S CB -0.408 62.800 63.200 0.014 0.000 0.838 85 S HN 0.278 nan 8.310 nan 0.000 0.462 86 R N 2.269 122.775 120.500 0.010 0.000 2.081 86 R HA 0.106 4.446 4.340 0.000 0.000 0.235 86 R C 2.232 178.533 176.300 0.002 0.000 1.131 86 R CA 1.641 57.745 56.100 0.007 0.000 0.960 86 R CB -1.212 29.094 30.300 0.009 0.000 0.856 86 R HN 0.318 nan 8.270 nan 0.000 0.436 87 A N 0.869 123.689 122.820 0.000 0.000 1.873 87 A HA -0.220 4.101 4.320 0.000 0.000 0.218 87 A C 1.823 179.405 177.584 -0.003 0.000 1.193 87 A CA 2.139 54.173 52.037 -0.004 0.000 0.629 87 A CB -0.915 18.081 19.000 -0.007 0.000 0.826 87 A HN 0.429 nan 8.150 nan 0.000 0.447 88 D N -0.484 119.915 120.400 -0.002 0.000 2.133 88 D HA -0.179 4.461 4.640 0.000 0.000 0.195 88 D C 2.157 178.456 176.300 -0.002 0.000 0.997 88 D CA 1.690 55.689 54.000 -0.002 0.000 0.840 88 D CB -0.448 40.351 40.800 -0.001 0.000 0.947 88 D HN 0.682 nan 8.370 nan 0.000 0.452 89 Q N -0.517 119.283 119.800 -0.000 0.000 2.224 89 Q HA 0.036 4.376 4.340 0.000 0.000 0.203 89 Q C 1.877 177.876 176.000 -0.001 0.000 0.970 89 Q CA 0.549 56.352 55.803 -0.000 0.000 0.865 89 Q CB 0.149 28.888 28.738 0.002 0.000 0.922 89 Q HN 0.317 nan 8.270 nan 0.000 0.445 90 L N -1.101 120.121 121.223 -0.002 0.000 2.607 90 L HA 0.243 4.583 4.340 0.000 0.000 0.228 90 L C 0.914 177.782 176.870 -0.004 0.000 1.123 90 L CA 0.192 55.031 54.840 -0.003 0.000 0.890 90 L CB 0.228 42.285 42.059 -0.003 0.000 1.103 90 L HN 0.351 nan 8.230 nan 0.000 0.468 91 G N 0.885 109.682 108.800 -0.004 0.000 2.160 91 G HA2 -0.268 3.693 3.960 0.000 0.000 0.251 91 G HA3 -0.268 3.693 3.960 0.000 0.000 0.251 91 G C 0.293 175.189 174.900 -0.006 0.000 1.008 91 G CA 0.236 45.333 45.100 -0.005 0.000 0.724 91 G HN 0.491 nan 8.290 nan 0.000 0.514 92 A N -0.345 122.470 122.820 -0.007 0.000 2.304 92 A HA 0.865 5.185 4.320 0.000 0.000 0.301 92 A C 0.635 178.213 177.584 -0.010 0.000 1.132 92 A CA 0.554 52.586 52.037 -0.009 0.000 0.819 92 A CB 0.990 19.984 19.000 -0.010 0.000 1.094 92 A HN 1.025 nan 8.150 nan 0.000 0.492 93 S N -0.343 115.349 115.700 -0.012 0.000 2.651 93 S HA 0.652 5.122 4.470 0.000 0.000 0.291 93 S C -0.469 174.122 174.600 -0.016 0.000 1.141 93 S CA -0.577 57.615 58.200 -0.013 0.000 1.027 93 S CB 1.552 64.744 63.200 -0.014 0.000 1.043 93 S HN 0.626 nan 8.310 nan 0.000 0.530 94 V N 1.762 121.666 119.914 -0.017 0.000 2.709 94 V HA 0.609 4.730 4.120 0.000 0.000 0.308 94 V C -0.714 175.367 176.094 -0.021 0.000 1.062 94 V CA -0.661 61.627 62.300 -0.020 0.000 0.901 94 V CB 1.884 33.697 31.823 -0.017 0.000 1.003 94 V HN 0.645 nan 8.190 nan 0.000 0.425 95 V N 5.536 125.434 119.914 -0.026 0.000 2.656 95 V HA 0.704 4.824 4.120 0.000 0.000 0.307 95 V C -0.848 175.227 176.094 -0.031 0.000 1.051 95 V CA -0.297 61.986 62.300 -0.028 0.000 0.893 95 V CB 2.357 34.162 31.823 -0.030 0.000 0.999 95 V HN 0.654 nan 8.190 nan 0.000 0.426 96 V N 5.043 124.940 119.914 -0.028 0.000 2.495 96 V HA 0.599 4.719 4.120 0.000 0.000 0.298 96 V C -0.036 176.040 176.094 -0.030 0.000 1.031 96 V CA -0.362 61.921 62.300 -0.028 0.000 0.871 96 V CB 1.921 33.731 31.823 -0.022 0.000 0.988 96 V HN 0.859 nan 8.190 nan 0.000 0.432 97 S N 5.632 121.310 115.700 -0.035 0.000 2.478 97 S HA 0.715 5.185 4.470 0.000 0.000 0.312 97 S C -0.568 174.011 174.600 -0.036 0.000 1.094 97 S CA -0.669 57.508 58.200 -0.038 0.000 1.081 97 S CB 0.769 63.940 63.200 -0.049 0.000 1.007 97 S HN 0.638 nan 8.310 nan 0.000 0.475 98 M N 4.313 123.897 119.600 -0.027 0.000 2.209 98 M HA 0.416 4.896 4.480 0.000 0.000 0.355 98 M C -0.923 175.359 176.300 -0.030 0.000 1.171 98 M CA -0.727 54.564 55.300 -0.015 0.000 1.069 98 M CB 1.656 34.256 32.600 -0.000 0.000 1.622 98 M HN 0.290 nan 8.290 nan 0.000 0.459 99 V N 4.048 123.942 119.914 -0.033 0.000 2.370 99 V HA 0.201 4.321 4.120 0.000 0.000 0.279 99 V C 0.251 176.361 176.094 0.027 0.000 1.029 99 V CA -0.955 61.282 62.300 -0.106 0.000 0.870 99 V CB 0.967 32.543 31.823 -0.412 0.000 0.984 99 V HN 0.774 nan 8.190 nan 0.000 0.451 100 E N 5.703 125.912 120.200 0.014 0.000 2.404 100 E HA -0.011 4.340 4.350 0.000 0.000 0.261 100 E C 0.791 177.484 176.600 0.154 0.000 1.074 100 E CA -0.589 55.853 56.400 0.070 0.000 0.917 100 E CB 0.504 30.227 29.700 0.038 0.000 0.965 100 E HN 0.737 nan 8.360 nan 0.000 0.433 101 R N 0.639 121.238 120.500 0.165 0.000 2.340 101 R HA 0.067 4.407 4.340 0.000 0.000 0.215 101 R C 0.502 176.921 176.300 0.200 0.000 1.017 101 R CA 0.348 56.578 56.100 0.215 0.000 1.111 101 R CB -0.382 30.000 30.300 0.137 0.000 1.049 101 R HN 0.323 nan 8.270 nan 0.000 0.490 102 S N 0.146 115.944 115.700 0.164 0.000 2.428 102 S HA 0.160 4.631 4.470 0.000 0.000 0.230 102 S C 1.173 175.860 174.600 0.146 0.000 1.014 102 S CA 0.503 58.772 58.200 0.115 0.000 0.957 102 S CB 0.092 63.332 63.200 0.066 0.000 0.784 102 S HN 0.807 nan 8.310 nan 0.000 0.499 103 G N 0.531 109.475 108.800 0.239 0.000 2.297 103 G HA2 -0.138 3.822 3.960 0.000 0.000 0.209 103 G HA3 -0.138 3.822 3.960 0.000 0.000 0.209 103 G C 0.419 175.424 174.900 0.175 0.000 1.267 103 G CA -0.405 44.863 45.100 0.280 0.000 1.127 103 G HN 0.346 nan 8.290 nan 0.000 0.498 104 V N 0.469 120.471 119.914 0.145 0.000 2.324 104 V HA -0.125 3.995 4.120 0.000 0.000 0.250 104 V C 2.650 178.755 176.094 0.018 0.000 1.060 104 V CA 2.836 65.190 62.300 0.090 0.000 1.042 104 V CB -0.720 31.148 31.823 0.075 0.000 0.650 104 V HN 0.627 nan 8.190 nan 0.000 0.450 105 E N 0.787 120.995 120.200 0.014 0.000 2.072 105 E HA -0.109 4.242 4.350 0.000 0.000 0.191 105 E C 2.436 179.015 176.600 -0.035 0.000 0.985 105 E CA 1.515 57.911 56.400 -0.007 0.000 0.801 105 E CB -0.639 29.062 29.700 0.002 0.000 0.750 105 E HN 0.598 nan 8.360 nan 0.000 0.452 106 A N 0.985 123.775 122.820 -0.051 0.000 1.908 106 A HA -0.223 4.097 4.320 0.000 0.000 0.218 106 A C 2.574 180.049 177.584 -0.182 0.000 1.181 106 A CA 1.606 53.585 52.037 -0.096 0.000 0.627 106 A CB -1.133 17.812 19.000 -0.091 0.000 0.818 106 A HN 0.409 nan 8.150 nan 0.000 0.445 107 C N -0.485 118.650 119.300 -0.274 0.000 2.446 107 C HA -0.049 4.411 4.460 0.000 0.000 0.277 107 C C 2.702 177.616 174.990 -0.127 0.000 1.275 107 C CA 1.455 60.278 59.018 -0.325 0.000 1.727 107 C CB -1.157 26.376 27.740 -0.345 0.000 2.010 107 C HN 0.624 nan 8.230 nan 0.000 0.486 108 K N 0.503 120.868 120.400 -0.060 0.000 2.057 108 K HA -0.083 4.237 4.320 0.000 0.000 0.207 108 K C 2.270 178.873 176.600 0.005 0.000 1.049 108 K CA 1.498 57.778 56.287 -0.011 0.000 0.931 108 K CB -0.323 32.174 32.500 -0.004 0.000 0.714 108 K HN 0.549 nan 8.250 nan 0.000 0.440 109 A N 1.612 124.426 122.820 -0.010 0.000 1.877 109 A HA -0.157 4.163 4.320 0.000 0.000 0.216 109 A C 2.385 179.988 177.584 0.031 0.000 1.186 109 A CA 1.943 53.996 52.037 0.028 0.000 0.620 109 A CB -0.750 18.252 19.000 0.004 0.000 0.822 109 A HN 0.342 nan 8.150 nan 0.000 0.443 110 A N -0.551 122.250 122.820 -0.032 0.000 1.883 110 A HA -0.060 4.260 4.320 0.000 0.000 0.217 110 A C 2.246 179.809 177.584 -0.034 0.000 1.186 110 A CA 1.946 53.953 52.037 -0.050 0.000 0.624 110 A CB -1.090 17.850 19.000 -0.100 0.000 0.822 110 A HN 0.437 nan 8.150 nan 0.000 0.444 111 V N -0.343 119.557 119.914 -0.024 0.000 2.332 111 V HA -0.306 3.814 4.120 0.000 0.000 0.248 111 V C 2.514 178.629 176.094 0.034 0.000 1.055 111 V CA 2.635 64.930 62.300 -0.009 0.000 1.038 111 V CB -1.013 30.810 31.823 0.001 0.000 0.651 111 V HN 0.863 nan 8.190 nan 0.000 0.450 112 H N 0.782 119.831 119.070 -0.035 0.000 2.321 112 H HA -0.139 4.417 4.556 0.000 0.000 0.300 112 H C 2.138 177.450 175.328 -0.027 0.000 1.087 112 H CA 2.323 58.356 56.048 -0.026 0.000 1.319 112 H CB -0.469 29.280 29.762 -0.022 0.000 1.379 112 H HN 0.535 nan 8.280 nan 0.000 0.501 113 N N -0.402 118.226 118.700 -0.121 0.000 2.036 113 N HA -0.182 4.558 4.740 0.000 0.000 0.195 113 N C 1.920 177.344 175.510 -0.144 0.000 1.037 113 N CA 1.449 54.401 53.050 -0.163 0.000 0.855 113 N CB -0.129 38.312 38.487 -0.075 0.000 1.033 113 N HN 0.278 nan 8.380 nan 0.000 0.423 114 L N 0.271 121.438 121.223 -0.093 0.000 2.093 114 L HA -0.138 4.203 4.340 0.000 0.000 0.208 114 L C 1.956 178.780 176.870 -0.078 0.000 1.085 114 L CA 0.514 55.309 54.840 -0.076 0.000 0.755 114 L CB -0.204 41.819 42.059 -0.061 0.000 0.904 114 L HN 0.190 nan 8.230 nan 0.000 0.435 115 L N -0.231 120.945 121.223 -0.080 0.000 2.141 115 L HA -0.106 4.234 4.340 0.000 0.000 0.209 115 L C 2.644 179.455 176.870 -0.098 0.000 1.094 115 L CA 1.745 56.547 54.840 -0.064 0.000 0.763 115 L CB -1.015 41.035 42.059 -0.015 0.000 0.908 115 L HN 0.153 nan 8.230 nan 0.000 0.437 116 A N -1.453 121.259 122.820 -0.180 0.000 2.014 116 A HA -0.131 4.189 4.320 0.000 0.000 0.218 116 A C 1.915 179.436 177.584 -0.106 0.000 1.163 116 A CA 0.821 52.753 52.037 -0.176 0.000 0.652 116 A CB -0.244 18.592 19.000 -0.274 0.000 0.808 116 A HN 0.431 nan 8.150 nan 0.000 0.449 117 Q N -0.807 118.938 119.800 -0.092 0.000 2.444 117 Q HA 0.045 4.386 4.340 0.000 0.000 0.206 117 Q C -0.278 175.693 176.000 -0.048 0.000 0.948 117 Q CA 0.120 55.885 55.803 -0.064 0.000 0.946 117 Q CB 0.082 28.785 28.738 -0.058 0.000 1.027 117 Q HN 0.509 nan 8.270 nan 0.000 0.513 118 R N -0.574 119.897 120.500 -0.048 0.000 3.418 118 R HA -0.107 4.234 4.340 0.000 0.000 0.274 118 R C -0.106 176.176 176.300 -0.031 0.000 1.108 118 R CA 0.630 56.709 56.100 -0.034 0.000 0.741 118 R CB -3.153 27.130 30.300 -0.028 0.000 1.223 118 R HN 0.280 nan 8.270 nan 0.000 0.434 119 V N -2.097 117.796 119.914 -0.035 0.000 2.811 119 V HA 0.331 4.451 4.120 0.000 0.000 0.302 119 V C 1.485 177.562 176.094 -0.027 0.000 1.063 119 V CA 0.295 62.575 62.300 -0.032 0.000 1.088 119 V CB 1.931 33.730 31.823 -0.039 0.000 0.982 119 V HN 0.233 nan 8.190 nan 0.000 0.485 120 S N 2.693 118.379 115.700 -0.024 0.000 2.528 120 S HA 0.462 4.932 4.470 0.000 0.000 0.219 120 S C 0.733 175.320 174.600 -0.022 0.000 0.985 120 S CA 0.568 58.757 58.200 -0.020 0.000 0.914 120 S CB -0.002 63.188 63.200 -0.017 0.000 0.776 120 S HN 1.577 nan 8.310 nan 0.000 0.526 121 G N 0.325 109.107 108.800 -0.030 0.000 2.519 121 G HA2 0.540 4.500 3.960 0.000 0.000 0.292 121 G HA3 0.540 4.500 3.960 0.000 0.000 0.292 121 G C -2.069 172.798 174.900 -0.056 0.000 1.507 121 G CA -0.891 44.186 45.100 -0.038 0.000 0.806 121 G HN 0.148 nan 8.290 nan 0.000 0.523 122 L N 0.547 121.722 121.223 -0.080 0.000 2.346 122 L HA 0.627 4.967 4.340 0.000 0.000 0.276 122 L C -0.344 176.434 176.870 -0.154 0.000 1.006 122 L CA -0.798 53.972 54.840 -0.116 0.000 0.817 122 L CB 2.198 44.172 42.059 -0.142 0.000 1.272 122 L HN 0.384 nan 8.230 nan 0.000 0.421 123 I N 4.455 124.943 120.570 -0.137 0.000 2.330 123 I HA 0.306 4.476 4.170 0.000 0.000 0.289 123 I C -0.530 175.484 176.117 -0.173 0.000 1.001 123 I CA -0.504 60.707 61.300 -0.149 0.000 1.193 123 I CB 1.491 39.441 38.000 -0.083 0.000 1.345 123 I HN 0.333 nan 8.210 nan 0.000 0.461 124 I N 5.571 125.974 120.570 -0.278 0.000 2.310 124 I HA 0.168 4.338 4.170 0.000 0.000 0.287 124 I C 0.111 176.205 176.117 -0.038 0.000 1.073 124 I CA -0.233 60.936 61.300 -0.218 0.000 1.216 124 I CB 0.254 37.979 38.000 -0.459 0.000 1.415 124 I HN 0.521 nan 8.210 nan 0.000 0.480 125 N N 6.652 125.365 118.700 0.021 0.000 3.229 125 N HA 0.164 4.904 4.740 0.000 0.000 0.275 125 N C -1.453 174.144 175.510 0.146 0.000 1.225 125 N CA -0.099 52.989 53.050 0.063 0.000 1.119 125 N CB 0.008 38.506 38.487 0.018 0.000 1.392 125 N HN 0.443 nan 8.380 nan 0.000 0.520 126 Y N 1.792 122.108 120.300 0.026 0.000 2.482 126 Y HA 0.430 4.980 4.550 0.000 0.000 0.334 126 Y C -2.669 173.274 175.900 0.071 0.000 1.091 126 Y CA -1.939 56.182 58.100 0.035 0.000 1.027 126 Y CB 2.120 40.602 38.460 0.037 0.000 1.306 126 Y HN 0.261 nan 8.280 nan 0.000 0.446 127 P HA 0.202 nan 4.420 nan 0.000 0.276 127 P C -1.380 175.893 177.300 -0.046 0.000 1.253 127 P CA 0.148 63.142 63.100 -0.178 0.000 0.766 127 P CB 1.039 32.597 31.700 -0.237 0.000 0.845 128 L N 4.014 125.271 121.223 0.056 0.000 2.431 128 L HA 0.340 4.680 4.340 0.000 0.000 0.266 128 L C 0.432 177.309 176.870 0.010 0.000 0.978 128 L CA -0.792 54.099 54.840 0.085 0.000 0.822 128 L CB 1.551 43.702 42.059 0.153 0.000 1.310 128 L HN 0.412 nan 8.230 nan 0.000 0.409 129 D N 1.250 121.651 120.400 0.001 0.000 2.393 129 D HA 0.012 4.652 4.640 0.000 0.000 0.246 129 D C 0.488 176.756 176.300 -0.054 0.000 1.275 129 D CA -0.028 53.955 54.000 -0.028 0.000 0.979 129 D CB 0.875 41.662 40.800 -0.020 0.000 1.101 129 D HN 0.520 nan 8.370 nan 0.000 0.505 130 D N -0.711 119.654 120.400 -0.059 0.000 2.092 130 D HA -0.216 4.424 4.640 0.000 0.000 0.193 130 D C 1.883 178.135 176.300 -0.080 0.000 0.994 130 D CA 1.962 55.915 54.000 -0.078 0.000 0.828 130 D CB -0.020 40.746 40.800 -0.057 0.000 0.963 130 D HN 0.718 nan 8.370 nan 0.000 0.450 131 Q N 0.714 120.484 119.800 -0.050 0.000 2.137 131 Q HA -0.118 4.223 4.340 0.000 0.000 0.198 131 Q C 1.237 177.217 176.000 -0.033 0.000 0.960 131 Q CA 1.045 56.824 55.803 -0.040 0.000 0.847 131 Q CB -0.056 28.668 28.738 -0.023 0.000 0.915 131 Q HN 0.031 nan 8.270 nan 0.000 0.448 132 D N 1.796 122.185 120.400 -0.019 0.000 2.117 132 D HA -0.098 4.543 4.640 0.000 0.000 0.197 132 D C 1.992 178.292 176.300 0.000 0.000 0.987 132 D CA 1.637 55.643 54.000 0.011 0.000 0.829 132 D CB -0.278 40.548 40.800 0.043 0.000 0.961 132 D HN 0.443 nan 8.370 nan 0.000 0.460 133 A N 0.839 123.607 122.820 -0.086 0.000 1.883 133 A HA -0.167 4.153 4.320 0.000 0.000 0.217 133 A C 2.383 179.803 177.584 -0.274 0.000 1.186 133 A CA 1.093 52.958 52.037 -0.287 0.000 0.624 133 A CB -0.837 17.836 19.000 -0.544 0.000 0.822 133 A HN 0.210 nan 8.150 nan 0.000 0.444 134 I N -0.207 120.250 120.570 -0.188 0.000 2.208 134 I HA -0.315 3.855 4.170 0.000 0.000 0.245 134 I C 2.945 179.055 176.117 -0.011 0.000 1.097 134 I CA 1.114 62.355 61.300 -0.097 0.000 1.363 134 I CB -0.338 37.617 38.000 -0.074 0.000 1.051 134 I HN 0.376 nan 8.210 nan 0.000 0.413 135 A N 0.337 123.158 122.820 0.002 0.000 1.873 135 A HA -0.134 4.187 4.320 0.000 0.000 0.215 135 A C 2.430 180.056 177.584 0.069 0.000 1.186 135 A CA 1.633 53.688 52.037 0.030 0.000 0.616 135 A CB -0.947 18.067 19.000 0.023 0.000 0.823 135 A HN 0.225 nan 8.150 nan 0.000 0.442 136 V N 0.183 120.167 119.914 0.116 0.000 2.407 136 V HA -0.266 3.854 4.120 0.000 0.000 0.248 136 V C 2.524 178.761 176.094 0.238 0.000 1.055 136 V CA 2.301 64.713 62.300 0.188 0.000 1.049 136 V CB -0.673 31.331 31.823 0.302 0.000 0.662 136 V HN 0.768 nan 8.190 nan 0.000 0.455 137 E N 0.325 120.708 120.200 0.305 0.000 2.051 137 E HA -0.223 4.127 4.350 0.000 0.000 0.192 137 E C 2.275 178.958 176.600 0.137 0.000 0.991 137 E CA 1.322 57.894 56.400 0.287 0.000 0.799 137 E CB -0.219 29.633 29.700 0.253 0.000 0.748 137 E HN 0.552 nan 8.360 nan 0.000 0.449 138 A N 1.201 124.075 122.820 0.091 0.000 1.940 138 A HA -0.147 4.174 4.320 0.000 0.000 0.219 138 A C 2.336 179.950 177.584 0.050 0.000 1.176 138 A CA 1.848 53.918 52.037 0.056 0.000 0.631 138 A CB -0.691 18.331 19.000 0.035 0.000 0.814 138 A HN 0.409 nan 8.150 nan 0.000 0.446 139 A N -1.579 121.276 122.820 0.057 0.000 2.119 139 A HA -0.045 4.275 4.320 0.000 0.000 0.217 139 A C 1.982 179.596 177.584 0.051 0.000 1.153 139 A CA 1.301 53.365 52.037 0.045 0.000 0.692 139 A CB -1.019 18.007 19.000 0.043 0.000 0.799 139 A HN 0.595 nan 8.150 nan 0.000 0.458 140 C N -0.358 118.976 119.300 0.056 0.000 2.500 140 C HA 0.167 4.627 4.460 0.000 0.000 0.273 140 C C 1.886 176.897 174.990 0.035 0.000 1.428 140 C CA 0.858 59.900 59.018 0.040 0.000 1.766 140 C CB -1.915 25.846 27.740 0.035 0.000 1.817 140 C HN 0.921 nan 8.230 nan 0.000 0.543 141 T N 1.610 116.186 114.554 0.037 0.000 14.167 141 T HA -0.376 3.974 4.350 0.000 0.000 0.419 141 T C 0.738 175.454 174.700 0.026 0.000 1.441 141 T CA 1.879 63.997 62.100 0.029 0.000 2.332 141 T CB -1.382 67.502 68.868 0.028 0.000 2.758 141 T HN 0.446 nan 8.240 nan 0.000 0.248 142 N N 2.894 121.606 118.700 0.020 0.000 2.216 142 N HA 0.115 4.855 4.740 0.000 0.000 0.183 142 N C 1.449 176.967 175.510 0.014 0.000 1.017 142 N CA 1.474 54.533 53.050 0.016 0.000 0.861 142 N CB -1.479 37.015 38.487 0.012 0.000 0.986 142 N HN 1.694 nan 8.380 nan 0.000 0.428 143 V N -0.910 119.009 119.914 0.010 0.000 2.694 143 V HA 0.232 4.353 4.120 0.000 0.000 0.306 143 V C -2.191 173.905 176.094 0.004 0.000 1.054 143 V CA -1.778 60.523 62.300 0.002 0.000 1.161 143 V CB -0.201 31.617 31.823 -0.007 0.000 0.916 143 V HN 0.152 nan 8.190 nan 0.000 0.490 144 P HA 0.493 nan 4.420 nan 0.000 0.275 144 P C -0.588 176.698 177.300 -0.023 0.000 1.228 144 P CA -0.050 63.051 63.100 0.002 0.000 0.786 144 P CB 1.348 33.048 31.700 0.001 0.000 0.927 145 A N 2.941 125.750 122.820 -0.017 0.000 2.386 145 A HA 0.669 4.989 4.320 0.000 0.000 0.311 145 A C -1.462 176.066 177.584 -0.094 0.000 1.068 145 A CA -0.678 51.290 52.037 -0.115 0.000 0.743 145 A CB 1.092 20.007 19.000 -0.141 0.000 1.258 145 A HN 0.509 nan 8.150 nan 0.000 0.429 146 L N 2.100 123.193 121.223 -0.217 0.000 2.381 146 L HA 0.791 5.131 4.340 0.000 0.000 0.274 146 L C -1.748 174.991 176.870 -0.219 0.000 0.988 146 L CA -0.375 54.416 54.840 -0.083 0.000 0.824 146 L CB 1.041 43.074 42.059 -0.044 0.000 1.263 146 L HN 0.557 nan 8.230 nan 0.000 0.410 147 F N 5.473 125.429 119.950 0.009 0.000 2.421 147 F HA 0.434 4.961 4.527 0.000 0.000 0.337 147 F C 0.545 176.350 175.800 0.009 0.000 1.105 147 F CA -0.482 57.529 58.000 0.017 0.000 1.049 147 F CB 1.388 40.401 39.000 0.023 0.000 1.139 147 F HN 0.299 nan 8.300 nan 0.000 0.479 148 L N 1.276 122.598 121.223 0.166 0.000 2.731 148 L HA 0.244 4.585 4.340 0.000 0.000 0.240 148 L C -0.085 176.849 176.870 0.106 0.000 1.120 148 L CA 0.555 55.452 54.840 0.095 0.000 0.913 148 L CB -0.053 42.035 42.059 0.049 0.000 1.213 148 L HN 0.489 nan 8.230 nan 0.000 0.515 149 D N 0.546 121.027 120.400 0.135 0.000 2.517 149 D HA 0.433 5.073 4.640 0.000 0.000 0.263 149 D C -0.910 175.438 176.300 0.080 0.000 1.233 149 D CA 0.168 54.220 54.000 0.086 0.000 0.849 149 D CB 0.636 41.457 40.800 0.035 0.000 1.261 149 D HN -0.099 nan 8.370 nan 0.000 0.516 150 V N -1.060 118.893 119.914 0.065 0.000 3.202 150 V HA 0.703 4.823 4.120 0.000 0.000 0.306 150 V C 0.175 176.267 176.094 -0.004 0.000 1.283 150 V CA -1.031 61.278 62.300 0.015 0.000 1.065 150 V CB 1.302 33.116 31.823 -0.016 0.000 1.079 150 V HN 0.156 nan 8.190 nan 0.000 0.448 151 S N 0.546 116.224 115.700 -0.037 0.000 2.585 151 S HA 0.158 4.628 4.470 0.000 0.000 0.273 151 S C 0.931 175.543 174.600 0.020 0.000 1.339 151 S CA 0.362 58.543 58.200 -0.032 0.000 1.028 151 S CB 0.676 63.845 63.200 -0.052 0.000 0.906 151 S HN 1.063 nan 8.310 nan 0.000 0.528 152 D N 2.702 123.155 120.400 0.088 0.000 2.310 152 D HA -0.117 4.523 4.640 0.000 0.000 0.212 152 D C 1.290 177.615 176.300 0.042 0.000 0.965 152 D CA 0.777 54.825 54.000 0.080 0.000 0.879 152 D CB -0.149 40.722 40.800 0.118 0.000 0.921 152 D HN 0.529 nan 8.370 nan 0.000 0.510 153 Q N 0.509 120.328 119.800 0.032 0.000 2.245 153 Q HA 0.011 4.351 4.340 0.000 0.000 0.201 153 Q C 0.507 176.497 176.000 -0.016 0.000 0.955 153 Q CA 0.569 56.379 55.803 0.011 0.000 0.870 153 Q CB -0.509 28.234 28.738 0.010 0.000 0.945 153 Q HN 0.298 nan 8.270 nan 0.000 0.461 154 T N 4.623 119.154 114.554 -0.038 0.000 2.853 154 T HA 0.090 4.441 4.350 0.000 0.000 0.298 154 T C -2.198 172.459 174.700 -0.072 0.000 0.978 154 T CA -0.881 61.175 62.100 -0.074 0.000 1.152 154 T CB 0.843 69.635 68.868 -0.128 0.000 0.914 154 T HN 0.099 nan 8.240 nan 0.000 0.539 155 P HA 0.208 nan 4.420 nan 0.000 0.235 155 P C -0.309 176.958 177.300 -0.055 0.000 1.765 155 P CA 0.034 63.108 63.100 -0.044 0.000 1.034 155 P CB -0.725 30.955 31.700 -0.032 0.000 1.984 156 I N -2.036 118.495 120.570 -0.065 0.000 3.343 156 I HA 0.529 4.700 4.170 0.000 0.000 0.315 156 I C -0.619 175.523 176.117 0.042 0.000 1.153 156 I CA -1.655 59.620 61.300 -0.043 0.000 0.952 156 I CB 1.544 39.405 38.000 -0.232 0.000 1.287 156 I HN -0.269 nan 8.210 nan 0.000 0.472 157 N N 2.524 121.309 118.700 0.141 0.000 2.430 157 N HA 0.420 5.161 4.740 0.000 0.000 0.265 157 N C -0.773 174.863 175.510 0.210 0.000 1.100 157 N CA -0.038 53.099 53.050 0.145 0.000 0.961 157 N CB 1.187 39.750 38.487 0.127 0.000 1.075 157 N HN 0.767 nan 8.380 nan 0.000 0.478 158 S N 1.282 117.055 115.700 0.121 0.000 2.550 158 S HA 0.681 5.152 4.470 0.000 0.000 0.270 158 S C -0.902 173.728 174.600 0.049 0.000 1.145 158 S CA -0.920 57.353 58.200 0.122 0.000 0.852 158 S CB 1.185 64.452 63.200 0.112 0.000 1.119 158 S HN 0.342 nan 8.310 nan 0.000 0.465 159 I N 2.056 122.641 120.570 0.024 0.000 2.439 159 I HA 0.525 4.695 4.170 0.000 0.000 0.285 159 I C -1.462 174.604 176.117 -0.086 0.000 1.021 159 I CA -0.629 60.642 61.300 -0.048 0.000 1.091 159 I CB 1.669 39.621 38.000 -0.081 0.000 1.242 159 I HN 0.560 nan 8.210 nan 0.000 0.439 160 I N 5.619 126.128 120.570 -0.101 0.000 2.647 160 I HA 0.411 4.582 4.170 0.000 0.000 0.295 160 I C -0.492 175.545 176.117 -0.133 0.000 1.078 160 I CA -0.246 61.015 61.300 -0.065 0.000 1.048 160 I CB 1.944 39.985 38.000 0.067 0.000 1.239 160 I HN 0.176 nan 8.210 nan 0.000 0.421 161 F N 2.971 122.985 119.950 0.106 0.000 2.459 161 F HA 0.171 4.698 4.527 0.001 0.000 0.346 161 F C 1.290 177.152 175.800 0.104 0.000 1.128 161 F CA 0.144 58.199 58.000 0.091 0.000 1.268 161 F CB 0.648 39.715 39.000 0.110 0.000 1.161 161 F HN 0.317 nan 8.300 nan 0.000 0.583 162 S N 3.531 119.371 115.700 0.234 0.000 2.465 162 S HA -0.037 4.433 4.470 0.000 0.000 0.307 162 S C 1.523 176.189 174.600 0.110 0.000 1.187 162 S CA -0.563 57.678 58.200 0.068 0.000 1.141 162 S CB -0.521 62.686 63.200 0.012 0.000 1.108 162 S HN 0.711 nan 8.310 nan 0.000 0.525 163 H N 3.608 122.779 119.070 0.168 0.000 2.423 163 H HA 0.002 4.558 4.556 0.000 0.000 0.297 163 H C 1.216 176.639 175.328 0.158 0.000 1.075 163 H CA 1.098 57.241 56.048 0.157 0.000 1.342 163 H CB -0.123 29.679 29.762 0.067 0.000 1.395 163 H HN 0.602 nan 8.280 nan 0.000 0.530 164 E N 1.162 121.224 120.200 -0.231 0.000 2.077 164 E HA -0.133 4.218 4.350 0.000 0.000 0.193 164 E C 1.807 178.426 176.600 0.033 0.000 0.989 164 E CA 0.955 57.385 56.400 0.049 0.000 0.800 164 E CB -0.050 29.637 29.700 -0.023 0.000 0.746 164 E HN 0.616 nan 8.360 nan 0.000 0.452 165 D N -0.095 120.287 120.400 -0.029 0.000 2.103 165 D HA -0.065 4.575 4.640 0.000 0.000 0.199 165 D C 2.009 178.283 176.300 -0.042 0.000 0.978 165 D CA 1.246 55.207 54.000 -0.065 0.000 0.829 165 D CB -0.455 40.320 40.800 -0.042 0.000 0.981 165 D HN 0.244 nan 8.370 nan 0.000 0.464 166 G N 0.875 109.704 108.800 0.047 0.000 2.446 166 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 166 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 166 G C 1.764 176.776 174.900 0.187 0.000 1.168 166 G CA 2.266 47.392 45.100 0.044 0.000 0.771 166 G HN 0.405 nan 8.290 nan 0.000 0.551 167 T N -1.058 113.665 114.554 0.281 0.000 2.737 167 T HA -0.054 4.297 4.350 0.000 0.000 0.265 167 T C 2.233 177.069 174.700 0.226 0.000 1.038 167 T CA 1.263 63.590 62.100 0.378 0.000 1.144 167 T CB -0.275 68.784 68.868 0.319 0.000 0.866 167 T HN 0.299 nan 8.240 nan 0.000 0.434 168 R N 0.795 121.152 120.500 -0.238 0.000 2.094 168 R HA -0.021 4.319 4.340 0.000 0.000 0.239 168 R C 2.601 178.783 176.300 -0.195 0.000 1.137 168 R CA 1.589 57.299 56.100 -0.652 0.000 0.943 168 R CB -0.631 29.073 30.300 -0.994 0.000 0.850 168 R HN 0.454 nan 8.270 nan 0.000 0.433 169 L N -0.540 120.613 121.223 -0.116 0.000 2.079 169 L HA -0.126 4.214 4.340 0.000 0.000 0.210 169 L C 2.545 179.426 176.870 0.018 0.000 1.081 169 L CA 1.467 56.273 54.840 -0.058 0.000 0.752 169 L CB -0.620 41.386 42.059 -0.089 0.000 0.896 169 L HN 0.465 nan 8.230 nan 0.000 0.433 170 G N -0.758 108.085 108.800 0.072 0.000 2.394 170 G HA2 -0.159 3.801 3.960 0.000 0.000 0.214 170 G HA3 -0.159 3.801 3.960 0.000 0.000 0.214 170 G C 1.585 176.548 174.900 0.106 0.000 1.176 170 G CA 0.730 45.895 45.100 0.109 0.000 0.786 170 G HN 0.155 nan 8.290 nan 0.000 0.533 171 V N 0.964 120.954 119.914 0.127 0.000 2.255 171 V HA -0.220 3.900 4.120 0.000 0.000 0.247 171 V C 2.707 178.856 176.094 0.092 0.000 1.051 171 V CA 2.379 64.746 62.300 0.111 0.000 1.018 171 V CB -0.606 31.342 31.823 0.208 0.000 0.641 171 V HN 0.464 nan 8.190 nan 0.000 0.445 172 E N -1.113 119.134 120.200 0.078 0.000 2.106 172 E HA -0.226 4.125 4.350 0.000 0.000 0.192 172 E C 2.212 178.866 176.600 0.090 0.000 0.984 172 E CA 1.104 57.544 56.400 0.067 0.000 0.806 172 E CB -0.285 29.434 29.700 0.031 0.000 0.750 172 E HN 0.714 nan 8.360 nan 0.000 0.458 173 H N 1.075 120.150 119.070 0.007 0.000 2.319 173 H HA -0.139 4.418 4.556 0.000 0.000 0.297 173 H C 2.171 177.527 175.328 0.046 0.000 1.097 173 H CA 1.368 57.424 56.048 0.013 0.000 1.285 173 H CB 0.037 29.797 29.762 -0.004 0.000 1.368 173 H HN 0.129 nan 8.280 nan 0.000 0.495 174 L N -0.007 121.226 121.223 0.016 0.000 2.056 174 L HA -0.143 4.197 4.340 0.000 0.000 0.207 174 L C 2.906 179.837 176.870 0.101 0.000 1.078 174 L CA 0.669 55.524 54.840 0.026 0.000 0.749 174 L CB -0.290 41.744 42.059 -0.042 0.000 0.901 174 L HN 0.120 nan 8.230 nan 0.000 0.433 175 V N 0.279 120.228 119.914 0.059 0.000 2.343 175 V HA -0.288 3.832 4.120 0.000 0.000 0.247 175 V C 2.717 178.819 176.094 0.014 0.000 1.051 175 V CA 1.888 64.219 62.300 0.051 0.000 1.036 175 V CB -0.836 31.021 31.823 0.057 0.000 0.654 175 V HN 0.485 nan 8.190 nan 0.000 0.451 176 A N -0.764 122.054 122.820 -0.005 0.000 2.067 176 A HA -0.059 4.261 4.320 0.000 0.000 0.219 176 A C 2.122 179.667 177.584 -0.065 0.000 1.158 176 A CA 1.258 53.279 52.037 -0.027 0.000 0.661 176 A CB -0.447 18.544 19.000 -0.016 0.000 0.801 176 A HN 0.528 nan 8.150 nan 0.000 0.452 177 L N -1.652 119.514 121.223 -0.094 0.000 2.478 177 L HA 0.120 4.460 4.340 0.000 0.000 0.223 177 L C 1.703 178.453 176.870 -0.200 0.000 1.140 177 L CA 0.733 55.494 54.840 -0.131 0.000 0.842 177 L CB -0.041 41.955 42.059 -0.105 0.000 0.953 177 L HN 0.595 nan 8.230 nan 0.000 0.452 178 G N -1.215 107.493 108.800 -0.153 0.000 2.168 178 G HA2 -0.220 3.740 3.960 0.000 0.000 0.197 178 G HA3 -0.220 3.740 3.960 0.000 0.000 0.197 178 G C -0.088 174.690 174.900 -0.204 0.000 0.997 178 G CA -0.503 44.493 45.100 -0.174 0.000 0.658 178 G HN 0.439 nan 8.290 nan 0.000 0.513 179 H N 0.235 119.278 119.070 -0.045 0.000 2.683 179 H HA 0.555 5.111 4.556 0.000 0.000 0.339 179 H C 1.346 176.660 175.328 -0.024 0.000 1.081 179 H CA 0.828 56.854 56.048 -0.036 0.000 1.432 179 H CB 1.089 30.825 29.762 -0.044 0.000 1.462 179 H HN 0.370 nan 8.280 nan 0.000 0.557 180 Q N 0.929 120.788 119.800 0.098 0.000 2.471 180 Q HA 0.083 4.424 4.340 0.000 0.000 0.259 180 Q C -0.180 175.850 176.000 0.049 0.000 0.850 180 Q CA 0.008 55.844 55.803 0.056 0.000 0.981 180 Q CB 0.904 29.658 28.738 0.026 0.000 1.180 180 Q HN 0.566 nan 8.270 nan 0.000 0.571 181 Q N 1.391 121.224 119.800 0.054 0.000 2.503 181 Q HA 0.372 4.712 4.340 0.000 0.000 0.227 181 Q C -0.747 175.261 176.000 0.014 0.000 1.109 181 Q CA 0.342 56.163 55.803 0.029 0.000 0.922 181 Q CB 0.799 29.552 28.738 0.025 0.000 1.249 181 Q HN 0.288 nan 8.270 nan 0.000 0.530 182 I N 1.165 121.729 120.570 -0.010 0.000 2.433 182 I HA 0.579 4.749 4.170 0.000 0.000 0.292 182 I C -0.282 175.797 176.117 -0.063 0.000 1.001 182 I CA -0.954 60.311 61.300 -0.058 0.000 1.119 182 I CB 1.996 39.955 38.000 -0.069 0.000 1.289 182 I HN 0.413 nan 8.210 nan 0.000 0.438 183 A N 7.351 130.114 122.820 -0.094 0.000 2.325 183 A HA 0.892 5.213 4.320 0.000 0.000 0.333 183 A C -0.848 176.647 177.584 -0.149 0.000 1.155 183 A CA -0.537 51.449 52.037 -0.084 0.000 0.814 183 A CB 0.958 19.917 19.000 -0.068 0.000 1.206 183 A HN 0.686 nan 8.150 nan 0.000 0.482 184 L N 1.908 123.066 121.223 -0.108 0.000 2.333 184 L HA 0.472 4.813 4.340 0.000 0.000 0.280 184 L C -1.065 175.779 176.870 -0.043 0.000 1.004 184 L CA -0.774 53.964 54.840 -0.169 0.000 0.820 184 L CB 1.728 43.773 42.059 -0.023 0.000 1.247 184 L HN 0.591 nan 8.230 nan 0.000 0.416 185 L N 3.742 124.944 121.223 -0.036 0.000 2.301 185 L HA 0.656 4.996 4.340 0.000 0.000 0.278 185 L C 0.190 177.180 176.870 0.199 0.000 1.022 185 L CA -0.193 54.681 54.840 0.056 0.000 0.854 185 L CB 0.986 43.060 42.059 0.024 0.000 1.226 185 L HN 0.668 nan 8.230 nan 0.000 0.429 186 A N 3.235 126.140 122.820 0.142 0.000 2.304 186 A HA 0.743 5.063 4.320 0.000 0.000 0.271 186 A C 0.627 178.081 177.584 -0.216 0.000 1.091 186 A CA 0.103 52.165 52.037 0.042 0.000 0.812 186 A CB 0.274 19.262 19.000 -0.021 0.000 1.056 186 A HN 0.812 nan 8.150 nan 0.000 0.489 187 G N -0.060 108.441 108.800 -0.498 0.000 2.588 187 G HA2 0.533 4.494 3.960 0.000 0.000 0.281 187 G HA3 0.533 4.494 3.960 0.000 0.000 0.281 187 G C -2.657 171.791 174.900 -0.753 0.000 1.236 187 G CA -1.366 43.053 45.100 -1.135 0.000 0.969 187 G HN 0.567 nan 8.290 nan 0.000 0.504 188 P HA 0.094 nan 4.420 nan 0.000 0.271 188 P C 0.875 178.024 177.300 -0.251 0.000 1.226 188 P CA -0.076 62.782 63.100 -0.404 0.000 0.765 188 P CB 0.891 32.392 31.700 -0.331 0.000 0.835 189 L N 2.357 123.480 121.223 -0.168 0.000 2.549 189 L HA -0.142 4.198 4.340 0.000 0.000 0.229 189 L C 2.240 179.068 176.870 -0.071 0.000 1.158 189 L CA 1.192 55.965 54.840 -0.112 0.000 0.842 189 L CB -0.758 41.250 42.059 -0.085 0.000 0.952 189 L HN 0.412 nan 8.230 nan 0.000 0.452 190 S N -1.996 113.668 115.700 -0.059 0.000 2.474 190 S HA -0.096 4.375 4.470 0.000 0.000 0.235 190 S C 1.143 175.733 174.600 -0.017 0.000 0.997 190 S CA 0.391 58.575 58.200 -0.028 0.000 0.949 190 S CB -0.227 62.965 63.200 -0.014 0.000 0.766 190 S HN 0.350 nan 8.310 nan 0.000 0.517 191 S N 0.426 116.126 115.700 0.001 0.000 2.480 191 S HA 0.409 4.880 4.470 0.000 0.000 0.286 191 S C 0.838 175.443 174.600 0.008 0.000 1.180 191 S CA -0.542 57.683 58.200 0.042 0.000 1.075 191 S CB 1.553 64.898 63.200 0.241 0.000 0.996 191 S HN 0.220 nan 8.310 nan 0.000 0.487 192 V N 5.213 125.114 119.914 -0.021 0.000 2.490 192 V HA -0.081 4.040 4.120 0.000 0.000 0.250 192 V C 2.074 178.125 176.094 -0.072 0.000 1.061 192 V CA 2.681 64.950 62.300 -0.053 0.000 1.064 192 V CB -0.772 31.019 31.823 -0.054 0.000 0.670 192 V HN 0.976 nan 8.190 nan 0.000 0.461 193 S N 0.237 115.923 115.700 -0.024 0.000 2.368 193 S HA -0.055 4.415 4.470 0.000 0.000 0.224 193 S C 2.175 176.750 174.600 -0.042 0.000 1.029 193 S CA 1.319 59.498 58.200 -0.035 0.000 0.988 193 S CB -0.504 62.693 63.200 -0.005 0.000 0.838 193 S HN 0.831 nan 8.310 nan 0.000 0.462 194 A N 2.197 125.067 122.820 0.084 0.000 1.908 194 A HA -0.157 4.163 4.320 0.000 0.000 0.218 194 A C 2.160 179.624 177.584 -0.201 0.000 1.181 194 A CA 1.393 53.384 52.037 -0.076 0.000 0.627 194 A CB -0.492 18.403 19.000 -0.176 0.000 0.818 194 A HN 0.413 nan 8.150 nan 0.000 0.445 195 R N -0.655 119.755 120.500 -0.150 0.000 2.070 195 R HA -0.054 4.286 4.340 0.000 0.000 0.233 195 R C 2.140 178.319 176.300 -0.202 0.000 1.137 195 R CA 1.502 57.508 56.100 -0.156 0.000 0.945 195 R CB -0.653 29.580 30.300 -0.112 0.000 0.845 195 R HN 0.506 nan 8.270 nan 0.000 0.430 196 L N 0.241 121.326 121.223 -0.231 0.000 2.081 196 L HA -0.224 4.116 4.340 0.000 0.000 0.212 196 L C 2.703 179.396 176.870 -0.295 0.000 1.080 196 L CA 1.544 56.202 54.840 -0.304 0.000 0.754 196 L CB -0.338 41.444 42.059 -0.461 0.000 0.893 196 L HN 0.185 nan 8.230 nan 0.000 0.433 197 R N -0.744 119.512 120.500 -0.407 0.000 2.073 197 R HA -0.129 4.211 4.340 0.000 0.000 0.229 197 R C 2.176 177.927 176.300 -0.915 0.000 1.120 197 R CA 0.948 56.630 56.100 -0.697 0.000 0.967 197 R CB -0.298 29.444 30.300 -0.932 0.000 0.862 197 R HN 0.145 nan 8.270 nan 0.000 0.436 198 L N 0.568 121.392 121.223 -0.665 0.000 2.056 198 L HA -0.047 4.293 4.340 0.000 0.000 0.207 198 L C 2.101 178.744 176.870 -0.377 0.000 1.078 198 L CA 1.916 56.464 54.840 -0.487 0.000 0.749 198 L CB -0.588 41.293 42.059 -0.297 0.000 0.901 198 L HN 0.122 nan 8.230 nan 0.000 0.433 199 A N -0.697 121.984 122.820 -0.231 0.000 1.930 199 A HA 0.001 4.321 4.320 0.000 0.000 0.217 199 A C 2.327 179.908 177.584 -0.006 0.000 1.175 199 A CA 1.332 53.328 52.037 -0.070 0.000 0.627 199 A CB -1.477 17.496 19.000 -0.046 0.000 0.815 199 A HN 0.508 nan 8.150 nan 0.000 0.443 200 G N -1.063 107.720 108.800 -0.029 0.000 2.421 200 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 200 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 200 G C 1.359 176.442 174.900 0.305 0.000 1.171 200 G CA 1.000 46.180 45.100 0.134 0.000 0.775 200 G HN 0.539 nan 8.290 nan 0.000 0.543 201 W N 1.001 122.386 121.300 0.142 0.000 2.317 201 W HA -0.081 4.579 4.660 0.001 0.000 0.318 201 W C 2.588 179.205 176.519 0.164 0.000 1.227 201 W CA 1.159 58.586 57.345 0.137 0.000 1.269 201 W CB -1.438 28.032 29.460 0.016 0.000 1.155 201 W HN 0.319 nan 8.180 nan 0.000 0.484 202 H N -0.109 119.150 119.070 0.315 0.000 2.289 202 H HA -0.173 4.383 4.556 0.000 0.000 0.296 202 H C 2.082 177.461 175.328 0.085 0.000 1.091 202 H CA 2.076 58.220 56.048 0.160 0.000 1.274 202 H CB -0.867 28.954 29.762 0.099 0.000 1.364 202 H HN 0.147 nan 8.280 nan 0.000 0.490 203 K N 0.027 120.513 120.400 0.144 0.000 2.009 203 K HA -0.192 4.128 4.320 0.000 0.000 0.210 203 K C 2.021 178.544 176.600 -0.128 0.000 1.049 203 K CA 1.690 57.925 56.287 -0.087 0.000 0.929 203 K CB -0.189 32.130 32.500 -0.302 0.000 0.714 203 K HN 0.212 nan 8.250 nan 0.000 0.440 204 Y N 0.963 121.362 120.300 0.165 0.000 2.263 204 Y HA -0.080 4.470 4.550 0.001 0.000 0.292 204 Y C 2.125 178.102 175.900 0.129 0.000 1.130 204 Y CA 0.793 58.978 58.100 0.141 0.000 1.179 204 Y CB -0.248 38.306 38.460 0.158 0.000 0.998 204 Y HN 0.004 nan 8.280 nan 0.000 0.532 205 L N -0.452 120.935 121.223 0.274 0.000 2.012 205 L HA -0.260 4.081 4.340 0.000 0.000 0.210 205 L C 2.631 179.574 176.870 0.122 0.000 1.073 205 L CA 2.129 57.079 54.840 0.183 0.000 0.748 205 L CB -1.159 41.009 42.059 0.181 0.000 0.891 205 L HN 0.355 nan 8.230 nan 0.000 0.431 206 T N -2.838 111.776 114.554 0.099 0.000 2.867 206 T HA -0.223 4.127 4.350 0.000 0.000 0.268 206 T C 2.000 176.730 174.700 0.049 0.000 1.057 206 T CA 0.905 63.036 62.100 0.053 0.000 1.136 206 T CB -0.297 68.586 68.868 0.024 0.000 0.874 206 T HN 0.179 nan 8.240 nan 0.000 0.466 207 R N 1.272 121.806 120.500 0.057 0.000 2.127 207 R HA 0.070 4.410 4.340 0.000 0.000 0.238 207 R C 1.729 178.077 176.300 0.081 0.000 1.134 207 R CA 1.330 57.468 56.100 0.064 0.000 0.975 207 R CB -0.190 30.160 30.300 0.084 0.000 0.865 207 R HN 0.443 nan 8.270 nan 0.000 0.447 208 N N 0.839 119.598 118.700 0.098 0.000 2.313 208 N HA -0.018 4.723 4.740 0.000 0.000 0.207 208 N C -0.558 174.989 175.510 0.060 0.000 1.141 208 N CA 0.194 53.294 53.050 0.083 0.000 0.830 208 N CB 0.798 39.344 38.487 0.099 0.000 1.008 208 N HN 0.197 nan 8.380 nan 0.000 0.481 209 Q N -0.060 119.771 119.800 0.051 0.000 2.475 209 Q HA -0.163 4.178 4.340 0.000 0.000 0.280 209 Q C -0.896 175.124 176.000 0.035 0.000 1.234 209 Q CA 0.666 56.490 55.803 0.036 0.000 0.873 209 Q CB -1.287 27.467 28.738 0.028 0.000 1.256 209 Q HN 0.442 nan 8.270 nan 0.000 0.475 210 I N 0.854 121.451 120.570 0.046 0.000 2.465 210 I HA 0.263 4.433 4.170 0.000 0.000 0.291 210 I C 0.063 176.206 176.117 0.043 0.000 1.014 210 I CA -0.884 60.442 61.300 0.043 0.000 1.093 210 I CB 1.693 39.725 38.000 0.054 0.000 1.267 210 I HN -0.061 nan 8.210 nan 0.000 0.431 211 Q N 6.841 126.657 119.800 0.026 0.000 2.271 211 Q HA 0.451 4.792 4.340 0.000 0.000 0.258 211 Q C -2.327 173.688 176.000 0.025 0.000 0.936 211 Q CA -1.946 53.867 55.803 0.016 0.000 0.909 211 Q CB 1.518 30.251 28.738 -0.009 0.000 1.253 211 Q HN 0.315 nan 8.270 nan 0.000 0.440 212 P HA 0.063 nan 4.420 nan 0.000 0.269 212 P C 0.738 178.049 177.300 0.019 0.000 1.215 212 P CA 0.010 63.134 63.100 0.040 0.000 0.780 212 P CB 0.670 32.422 31.700 0.086 0.000 0.898 213 I N -1.053 119.521 120.570 0.007 0.000 2.617 213 I HA 0.271 4.441 4.170 0.000 0.000 0.256 213 I C 0.736 176.853 176.117 -0.000 0.000 1.167 213 I CA 0.499 61.800 61.300 0.001 0.000 1.469 213 I CB -0.140 37.858 38.000 -0.004 0.000 1.098 213 I HN 0.258 nan 8.210 nan 0.000 0.436 214 A N 0.649 123.470 122.820 0.002 0.000 2.609 214 A HA 0.765 5.085 4.320 0.000 0.000 0.291 214 A C -1.255 176.340 177.584 0.019 0.000 1.096 214 A CA -0.482 51.558 52.037 0.004 0.000 0.684 214 A CB 1.575 20.569 19.000 -0.011 0.000 1.282 214 A HN 0.290 nan 8.150 nan 0.000 0.412 215 E N 0.453 120.670 120.200 0.028 0.000 2.287 215 E HA 0.566 4.917 4.350 0.000 0.000 0.274 215 E C -1.186 175.431 176.600 0.028 0.000 0.896 215 E CA -0.614 55.819 56.400 0.054 0.000 0.788 215 E CB 1.064 30.828 29.700 0.106 0.000 1.244 215 E HN 0.566 nan 8.360 nan 0.000 0.408 216 R N 2.359 122.869 120.500 0.017 0.000 2.854 216 R HA 0.458 4.798 4.340 0.000 0.000 0.271 216 R C -0.943 175.349 176.300 -0.012 0.000 0.994 216 R CA -0.844 55.253 56.100 -0.005 0.000 0.945 216 R CB 1.665 31.952 30.300 -0.022 0.000 1.194 216 R HN 0.639 nan 8.270 nan 0.000 0.476 217 E N 0.157 120.333 120.200 -0.040 0.000 2.165 217 E HA 0.507 4.857 4.350 0.000 0.000 0.266 217 E C -0.481 176.057 176.600 -0.103 0.000 0.889 217 E CA -0.527 55.823 56.400 -0.083 0.000 0.756 217 E CB 1.578 31.226 29.700 -0.087 0.000 1.131 217 E HN 0.727 nan 8.360 nan 0.000 0.411 218 G N 2.103 110.813 108.800 -0.149 0.000 2.702 218 G HA2 0.194 4.155 3.960 0.000 0.000 0.254 218 G HA3 0.194 4.155 3.960 0.000 0.000 0.254 218 G C -0.135 174.626 174.900 -0.232 0.000 1.380 218 G CA -0.236 44.780 45.100 -0.139 0.000 1.042 218 G HN 0.694 nan 8.290 nan 0.000 0.557 219 D N -3.490 116.801 120.400 -0.181 0.000 2.599 219 D HA 0.077 4.717 4.640 0.000 0.000 0.249 219 D C 0.349 176.607 176.300 -0.070 0.000 1.313 219 D CA -0.839 53.043 54.000 -0.196 0.000 0.815 219 D CB -0.570 40.197 40.800 -0.055 0.000 1.077 219 D HN 0.690 nan 8.370 nan 0.000 0.492 220 W N 0.065 121.360 121.300 -0.010 0.000 1.277 220 W HA -0.289 4.372 4.660 0.000 0.000 0.236 220 W C 0.488 176.991 176.519 -0.028 0.000 0.973 220 W CA 0.452 57.786 57.345 -0.019 0.000 0.390 220 W CB -1.966 27.469 29.460 -0.041 0.000 1.977 220 W HN 0.222 nan 8.180 nan 0.000 1.223 221 S N 0.653 116.449 115.700 0.161 0.000 2.632 221 S HA 0.772 5.242 4.470 0.000 0.000 0.271 221 S C 1.079 175.725 174.600 0.078 0.000 1.260 221 S CA -0.229 58.025 58.200 0.089 0.000 1.010 221 S CB 1.940 65.178 63.200 0.064 0.000 0.965 221 S HN 0.573 nan 8.310 nan 0.000 0.534 222 A N 2.230 125.083 122.820 0.054 0.000 1.883 222 A HA -0.117 4.204 4.320 0.000 0.000 0.217 222 A C 2.107 179.735 177.584 0.074 0.000 1.186 222 A CA 2.049 54.116 52.037 0.051 0.000 0.624 222 A CB -1.035 17.975 19.000 0.017 0.000 0.822 222 A HN 0.908 nan 8.150 nan 0.000 0.444 223 M N 1.236 120.874 119.600 0.063 0.000 2.149 223 M HA -0.153 4.328 4.480 0.000 0.000 0.261 223 M C 2.301 178.684 176.300 0.139 0.000 1.064 223 M CA 2.389 57.748 55.300 0.099 0.000 1.102 223 M CB -0.749 31.887 32.600 0.060 0.000 1.369 223 M HN 0.588 nan 8.290 nan 0.000 0.408 224 S N -1.056 114.695 115.700 0.085 0.000 2.382 224 S HA -0.038 4.432 4.470 0.000 0.000 0.228 224 S C 2.194 176.827 174.600 0.056 0.000 1.027 224 S CA 1.140 59.372 58.200 0.055 0.000 0.991 224 S CB -1.723 61.486 63.200 0.016 0.000 0.823 224 S HN 0.569 nan 8.310 nan 0.000 0.469 225 G N 0.793 109.640 108.800 0.077 0.000 2.418 225 G HA2 -0.136 3.825 3.960 0.000 0.000 0.217 225 G HA3 -0.136 3.825 3.960 0.000 0.000 0.217 225 G C 1.192 176.146 174.900 0.089 0.000 1.158 225 G CA 0.822 45.966 45.100 0.073 0.000 0.771 225 G HN 0.525 nan 8.290 nan 0.000 0.545 226 F N 1.403 121.345 119.950 -0.013 0.000 2.075 226 F HA -0.085 4.443 4.527 0.000 0.000 0.297 226 F C 2.996 178.788 175.800 -0.013 0.000 1.113 226 F CA 2.177 60.167 58.000 -0.016 0.000 1.218 226 F CB -0.296 38.694 39.000 -0.017 0.000 0.984 226 F HN 0.199 nan 8.300 nan 0.000 0.472 227 Q N -0.487 119.321 119.800 0.013 0.000 2.079 227 Q HA -0.205 4.136 4.340 0.000 0.000 0.200 227 Q C 2.215 178.127 176.000 -0.147 0.000 0.974 227 Q CA 1.429 57.169 55.803 -0.105 0.000 0.840 227 Q CB -0.275 28.488 28.738 0.042 0.000 0.898 227 Q HN 0.466 nan 8.270 nan 0.000 0.430 228 Q N -0.227 119.522 119.800 -0.085 0.000 2.083 228 Q HA -0.079 4.261 4.340 0.000 0.000 0.198 228 Q C 2.141 178.077 176.000 -0.106 0.000 0.969 228 Q CA 1.535 57.292 55.803 -0.078 0.000 0.838 228 Q CB -0.362 28.349 28.738 -0.046 0.000 0.900 228 Q HN 0.377 nan 8.270 nan 0.000 0.436 229 T N 1.265 115.745 114.554 -0.124 0.000 2.777 229 T HA -0.131 4.220 4.350 0.000 0.000 0.266 229 T C 1.813 176.400 174.700 -0.189 0.000 1.040 229 T CA 1.325 63.348 62.100 -0.127 0.000 1.141 229 T CB -0.168 68.643 68.868 -0.095 0.000 0.868 229 T HN 0.069 nan 8.240 nan 0.000 0.444 230 M N 1.430 120.829 119.600 -0.335 0.000 2.159 230 M HA -0.048 4.432 4.480 0.000 0.000 0.263 230 M C 2.138 178.304 176.300 -0.224 0.000 1.063 230 M CA 1.486 56.556 55.300 -0.385 0.000 1.110 230 M CB -0.540 31.597 32.600 -0.773 0.000 1.374 230 M HN 0.075 nan 8.290 nan 0.000 0.411 231 Q N -0.537 119.155 119.800 -0.181 0.000 2.137 231 Q HA -0.089 4.251 4.340 0.000 0.000 0.198 231 Q C 2.103 178.053 176.000 -0.083 0.000 0.960 231 Q CA 1.863 57.599 55.803 -0.112 0.000 0.847 231 Q CB -0.443 28.243 28.738 -0.087 0.000 0.915 231 Q HN 0.640 nan 8.270 nan 0.000 0.448 232 M N -0.618 118.931 119.600 -0.084 0.000 2.067 232 M HA -0.168 4.312 4.480 0.000 0.000 0.260 232 M C 1.646 177.910 176.300 -0.060 0.000 1.069 232 M CA 1.610 56.873 55.300 -0.062 0.000 1.117 232 M CB -0.146 32.418 32.600 -0.059 0.000 1.334 232 M HN 0.357 nan 8.290 nan 0.000 0.407 233 L N 0.491 121.670 121.223 -0.073 0.000 2.131 233 L HA -0.242 4.098 4.340 0.000 0.000 0.210 233 L C 1.966 178.803 176.870 -0.054 0.000 1.092 233 L CA 0.907 55.711 54.840 -0.061 0.000 0.759 233 L CB -0.989 41.029 42.059 -0.069 0.000 0.903 233 L HN 0.391 nan 8.230 nan 0.000 0.435 234 N N 0.069 118.729 118.700 -0.066 0.000 2.396 234 N HA -0.142 4.598 4.740 0.000 0.000 0.180 234 N C 1.538 177.025 175.510 -0.039 0.000 1.028 234 N CA 0.871 53.890 53.050 -0.052 0.000 0.893 234 N CB -0.014 38.436 38.487 -0.062 0.000 0.967 234 N HN 0.417 nan 8.380 nan 0.000 0.440 235 E N -0.527 119.649 120.200 -0.039 0.000 2.482 235 E HA 0.092 4.442 4.350 0.000 0.000 0.196 235 E C 0.713 177.299 176.600 -0.024 0.000 1.047 235 E CA 0.318 56.700 56.400 -0.029 0.000 0.869 235 E CB 0.064 29.747 29.700 -0.029 0.000 0.836 235 E HN 0.389 nan 8.360 nan 0.000 0.520 236 G N 1.217 110.002 108.800 -0.025 0.000 2.141 236 G HA2 -0.259 3.701 3.960 0.000 0.000 0.231 236 G HA3 -0.259 3.701 3.960 0.000 0.000 0.231 236 G C 0.127 175.016 174.900 -0.019 0.000 0.984 236 G CA -0.243 44.845 45.100 -0.020 0.000 0.660 236 G HN 0.185 nan 8.290 nan 0.000 0.525 237 I N 1.494 122.050 120.570 -0.023 0.000 2.291 237 I HA 0.430 4.600 4.170 0.000 0.000 0.290 237 I C 0.112 176.215 176.117 -0.023 0.000 1.050 237 I CA -0.774 60.513 61.300 -0.021 0.000 1.245 237 I CB 1.594 39.579 38.000 -0.024 0.000 1.405 237 I HN -0.102 nan 8.210 nan 0.000 0.478 238 V N 8.491 128.395 119.914 -0.017 0.000 2.305 238 V HA 0.334 4.454 4.120 0.000 0.000 0.275 238 V C -1.880 174.209 176.094 -0.009 0.000 1.020 238 V CA -1.359 60.932 62.300 -0.014 0.000 0.811 238 V CB 0.806 32.624 31.823 -0.010 0.000 1.031 238 V HN 0.582 nan 8.190 nan 0.000 0.439 239 P HA 0.274 nan 4.420 nan 0.000 0.276 239 P C 0.854 178.158 177.300 0.007 0.000 1.261 239 P CA -0.184 62.910 63.100 -0.010 0.000 0.800 239 P CB 1.197 32.877 31.700 -0.035 0.000 1.066 240 T N -3.043 111.536 114.554 0.042 0.000 3.057 240 T HA 0.436 4.786 4.350 0.000 0.000 0.254 240 T C 0.656 175.362 174.700 0.010 0.000 1.094 240 T CA 0.359 62.524 62.100 0.107 0.000 1.088 240 T CB -0.165 68.850 68.868 0.245 0.000 0.934 240 T HN 0.653 nan 8.240 nan 0.000 0.497 241 A N 0.650 123.394 122.820 -0.126 0.000 2.587 241 A HA 0.810 5.130 4.320 0.000 0.000 0.293 241 A C -1.196 176.268 177.584 -0.199 0.000 1.087 241 A CA -1.122 50.739 52.037 -0.294 0.000 0.692 241 A CB 1.495 20.089 19.000 -0.677 0.000 1.291 241 A HN 0.351 nan 8.150 nan 0.000 0.407 242 M N 1.416 120.899 119.600 -0.195 0.000 2.393 242 M HA 0.466 4.946 4.480 0.000 0.000 0.299 242 M C -1.426 174.728 176.300 -0.244 0.000 1.103 242 M CA -0.227 54.958 55.300 -0.192 0.000 0.910 242 M CB 2.056 34.581 32.600 -0.124 0.000 1.659 242 M HN 0.540 nan 8.290 nan 0.000 0.445 243 L N 3.288 124.265 121.223 -0.411 0.000 2.282 243 L HA 0.685 5.025 4.340 0.000 0.000 0.288 243 L C -0.872 175.666 176.870 -0.553 0.000 1.033 243 L CA -0.854 53.612 54.840 -0.623 0.000 0.807 243 L CB 1.481 42.736 42.059 -1.340 0.000 1.209 243 L HN 0.408 nan 8.230 nan 0.000 0.423 244 V N 1.973 121.828 119.914 -0.098 0.000 2.680 244 V HA 0.408 4.528 4.120 0.000 0.000 0.309 244 V C 0.717 177.136 176.094 0.541 0.000 1.052 244 V CA -0.430 61.979 62.300 0.182 0.000 0.908 244 V CB 1.725 33.634 31.823 0.143 0.000 1.001 244 V HN 0.874 nan 8.190 nan 0.000 0.431 245 A N 3.463 126.634 122.820 0.584 0.000 2.169 245 A HA 0.203 4.524 4.320 0.000 0.000 0.212 245 A C 0.760 178.639 177.584 0.492 0.000 1.153 245 A CA 1.003 53.332 52.037 0.486 0.000 0.756 245 A CB -0.475 18.645 19.000 0.200 0.000 0.813 245 A HN 0.993 nan 8.150 nan 0.000 0.471 246 N N -2.355 116.626 118.700 0.468 0.000 3.020 246 N HA 0.155 4.896 4.740 0.000 0.000 0.248 246 N C -0.934 174.773 175.510 0.329 0.000 1.480 246 N CA -0.372 52.923 53.050 0.408 0.000 0.874 246 N CB 0.072 38.792 38.487 0.388 0.000 1.433 246 N HN -0.199 nan 8.380 nan 0.000 0.530 247 D N -0.101 120.474 120.400 0.292 0.000 2.234 247 D HA -0.001 4.639 4.640 0.000 0.000 0.205 247 D C 1.338 177.850 176.300 0.353 0.000 0.962 247 D CA 1.143 55.334 54.000 0.318 0.000 0.855 247 D CB 0.218 41.181 40.800 0.271 0.000 0.951 247 D HN 0.536 nan 8.370 nan 0.000 0.500 248 Q N -0.160 119.797 119.800 0.262 0.000 2.050 248 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 248 Q C 2.258 178.339 176.000 0.135 0.000 0.980 248 Q CA 0.964 56.873 55.803 0.177 0.000 0.840 248 Q CB -0.089 28.674 28.738 0.042 0.000 0.898 248 Q HN 0.313 nan 8.270 nan 0.000 0.424 249 M N 0.060 119.761 119.600 0.167 0.000 2.149 249 M HA -0.177 4.303 4.480 0.000 0.000 0.261 249 M C 2.360 178.730 176.300 0.117 0.000 1.064 249 M CA 1.388 56.770 55.300 0.136 0.000 1.102 249 M CB -0.378 32.311 32.600 0.149 0.000 1.369 249 M HN 0.246 nan 8.290 nan 0.000 0.408 250 A N 0.507 123.420 122.820 0.155 0.000 1.902 250 A HA -0.166 4.154 4.320 0.000 0.000 0.217 250 A C 2.164 179.784 177.584 0.058 0.000 1.181 250 A CA 1.241 53.358 52.037 0.134 0.000 0.623 250 A CB -0.949 18.173 19.000 0.202 0.000 0.818 250 A HN 0.499 nan 8.150 nan 0.000 0.443 251 L N -0.599 120.609 121.223 -0.025 0.000 1.990 251 L HA -0.220 4.120 4.340 0.000 0.000 0.213 251 L C 2.602 179.408 176.870 -0.107 0.000 1.072 251 L CA 1.984 56.653 54.840 -0.285 0.000 0.755 251 L CB -0.885 40.898 42.059 -0.461 0.000 0.889 251 L HN 0.484 nan 8.230 nan 0.000 0.432 252 G N -1.293 107.503 108.800 -0.006 0.000 2.418 252 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 252 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 252 G C 1.658 176.643 174.900 0.142 0.000 1.158 252 G CA 0.786 45.945 45.100 0.098 0.000 0.771 252 G HN 0.580 nan 8.290 nan 0.000 0.545 253 A N 0.623 123.488 122.820 0.075 0.000 1.902 253 A HA 0.017 4.337 4.320 0.000 0.000 0.217 253 A C 2.466 180.076 177.584 0.044 0.000 1.181 253 A CA 1.834 53.898 52.037 0.044 0.000 0.623 253 A CB -0.372 18.644 19.000 0.026 0.000 0.818 253 A HN 0.382 nan 8.150 nan 0.000 0.443 254 M N -1.357 118.263 119.600 0.033 0.000 2.117 254 M HA -0.156 4.324 4.480 0.000 0.000 0.262 254 M C 2.402 178.728 176.300 0.043 0.000 1.065 254 M CA 1.935 57.250 55.300 0.025 0.000 1.114 254 M CB -0.296 32.303 32.600 -0.001 0.000 1.361 254 M HN 0.521 nan 8.290 nan 0.000 0.408 255 R N 0.567 121.105 120.500 0.064 0.000 2.081 255 R HA -0.127 4.214 4.340 0.000 0.000 0.235 255 R C 2.116 178.551 176.300 0.224 0.000 1.131 255 R CA 1.599 57.766 56.100 0.112 0.000 0.960 255 R CB -0.248 30.096 30.300 0.075 0.000 0.856 255 R HN 0.346 nan 8.270 nan 0.000 0.436 256 A N 1.217 124.195 122.820 0.263 0.000 1.902 256 A HA -0.135 4.186 4.320 0.000 0.000 0.217 256 A C 2.158 179.764 177.584 0.037 0.000 1.181 256 A CA 1.462 53.560 52.037 0.103 0.000 0.623 256 A CB -0.499 18.422 19.000 -0.130 0.000 0.818 256 A HN 0.366 nan 8.150 nan 0.000 0.443 257 I N -0.403 120.185 120.570 0.029 0.000 2.163 257 I HA -0.254 3.917 4.170 0.000 0.000 0.243 257 I C 2.632 178.767 176.117 0.030 0.000 1.085 257 I CA 1.877 63.186 61.300 0.016 0.000 1.347 257 I CB -0.725 37.283 38.000 0.013 0.000 1.044 257 I HN 0.264 nan 8.210 nan 0.000 0.408 258 T N 0.110 114.691 114.554 0.046 0.000 2.708 258 T HA -0.176 4.174 4.350 0.000 0.000 0.266 258 T C 1.639 176.368 174.700 0.049 0.000 1.037 258 T CA 1.335 63.461 62.100 0.043 0.000 1.146 258 T CB -0.293 68.599 68.868 0.040 0.000 0.865 258 T HN 0.423 nan 8.240 nan 0.000 0.435 259 E N 1.054 121.302 120.200 0.079 0.000 2.478 259 E HA 0.031 4.381 4.350 0.000 0.000 0.198 259 E C 1.861 178.497 176.600 0.059 0.000 1.046 259 E CA 0.328 56.780 56.400 0.086 0.000 0.870 259 E CB 0.006 29.801 29.700 0.160 0.000 0.818 259 E HN 0.332 nan 8.360 nan 0.000 0.527 260 S N -0.260 115.462 115.700 0.037 0.000 2.603 260 S HA 0.102 4.572 4.470 0.000 0.000 0.220 260 S C 1.296 175.904 174.600 0.014 0.000 0.967 260 S CA 0.518 58.726 58.200 0.014 0.000 0.920 260 S CB 0.587 63.783 63.200 -0.006 0.000 0.773 260 S HN 0.495 nan 8.310 nan 0.000 0.529 261 G N 1.259 110.071 108.800 0.020 0.000 2.149 261 G HA2 -0.209 3.752 3.960 0.000 0.000 0.235 261 G HA3 -0.209 3.752 3.960 0.000 0.000 0.235 261 G C -0.206 174.703 174.900 0.014 0.000 1.018 261 G CA -0.156 44.954 45.100 0.017 0.000 0.728 261 G HN 0.433 nan 8.290 nan 0.000 0.508 262 L N -0.942 120.290 121.223 0.015 0.000 2.319 262 L HA 0.727 5.067 4.340 0.000 0.000 0.267 262 L C 0.740 177.621 176.870 0.019 0.000 1.011 262 L CA -1.291 53.558 54.840 0.015 0.000 0.818 262 L CB 1.662 43.727 42.059 0.011 0.000 1.316 262 L HN 0.077 nan 8.230 nan 0.000 0.432 263 R N 0.695 121.208 120.500 0.020 0.000 2.294 263 R HA 0.447 4.787 4.340 0.000 0.000 0.319 263 R C -0.941 175.375 176.300 0.028 0.000 0.984 263 R CA -0.751 55.364 56.100 0.024 0.000 0.861 263 R CB 1.754 32.068 30.300 0.024 0.000 1.104 263 R HN 0.263 nan 8.270 nan 0.000 0.451 264 V N 3.513 123.445 119.914 0.030 0.000 2.585 264 V HA 0.163 4.283 4.120 0.000 0.000 0.296 264 V C 1.411 177.529 176.094 0.040 0.000 1.035 264 V CA 1.645 63.965 62.300 0.033 0.000 1.084 264 V CB 0.614 32.460 31.823 0.039 0.000 0.953 264 V HN 1.146 nan 8.190 nan 0.000 0.483 265 G N 4.659 113.484 108.800 0.043 0.000 4.677 265 G HA2 -0.253 3.708 3.960 0.000 0.000 0.215 265 G HA3 -0.253 3.708 3.960 0.000 0.000 0.215 265 G C 1.115 176.054 174.900 0.063 0.000 1.506 265 G CA 0.472 45.605 45.100 0.055 0.000 1.016 265 G HN 1.277 nan 8.290 nan 0.000 0.653 266 A N -0.179 122.670 122.820 0.048 0.000 1.898 266 A HA 0.181 4.501 4.320 0.000 0.000 0.216 266 A C 1.939 179.549 177.584 0.044 0.000 1.181 266 A CA 2.586 54.648 52.037 0.041 0.000 0.620 266 A CB -0.373 18.643 19.000 0.028 0.000 0.819 266 A HN 0.527 nan 8.150 nan 0.000 0.442 267 D N -1.008 119.415 120.400 0.039 0.000 2.468 267 D HA 0.210 4.851 4.640 0.000 0.000 0.243 267 D C 0.338 176.665 176.300 0.046 0.000 0.994 267 D CA 0.691 54.712 54.000 0.036 0.000 0.932 267 D CB 0.193 41.007 40.800 0.023 0.000 1.078 267 D HN 0.347 nan 8.370 nan 0.000 0.473 268 I N 1.317 121.907 120.570 0.033 0.000 2.411 268 I HA 0.148 4.319 4.170 0.000 0.000 0.284 268 I C -0.273 175.846 176.117 0.003 0.000 1.012 268 I CA -0.369 60.940 61.300 0.015 0.000 1.119 268 I CB 2.078 40.075 38.000 -0.005 0.000 1.261 268 I HN -0.285 nan 8.210 nan 0.000 0.448 269 S N 4.616 120.301 115.700 -0.025 0.000 2.576 269 S HA 0.487 4.957 4.470 0.000 0.000 0.276 269 S C -0.113 174.434 174.600 -0.089 0.000 1.339 269 S CA -0.449 57.717 58.200 -0.058 0.000 1.039 269 S CB 1.425 64.536 63.200 -0.148 0.000 0.902 269 S HN 0.351 nan 8.310 nan 0.000 0.516 270 V N 3.316 123.211 119.914 -0.032 0.000 2.686 270 V HA 0.439 4.559 4.120 0.000 0.000 0.306 270 V C -0.772 175.328 176.094 0.010 0.000 1.065 270 V CA -0.684 61.604 62.300 -0.021 0.000 0.894 270 V CB 2.047 33.880 31.823 0.017 0.000 1.004 270 V HN 0.641 nan 8.190 nan 0.000 0.424 271 V N 3.873 123.784 119.914 -0.004 0.000 2.407 271 V HA 0.726 4.846 4.120 0.000 0.000 0.291 271 V C 0.794 176.939 176.094 0.086 0.000 1.018 271 V CA -0.073 62.244 62.300 0.029 0.000 0.842 271 V CB 1.409 33.241 31.823 0.016 0.000 0.996 271 V HN 0.960 nan 8.190 nan 0.000 0.426 272 G N 2.537 111.410 108.800 0.121 0.000 2.508 272 G HA2 0.450 4.410 3.960 0.000 0.000 0.278 272 G HA3 0.450 4.410 3.960 0.000 0.000 0.278 272 G C -1.574 173.485 174.900 0.264 0.000 1.389 272 G CA -0.206 45.020 45.100 0.210 0.000 1.050 272 G HN 0.544 nan 8.290 nan 0.000 0.522 273 Y N -0.509 119.891 120.300 0.167 0.000 2.298 273 Y HA 0.405 4.956 4.550 0.001 0.000 0.322 273 Y C -0.194 175.766 175.900 0.100 0.000 1.138 273 Y CA -0.587 57.597 58.100 0.140 0.000 1.127 273 Y CB 1.819 40.412 38.460 0.222 0.000 1.178 273 Y HN 0.654 nan 8.280 nan 0.000 0.428 274 D N 1.412 121.891 120.400 0.131 0.000 2.720 274 D HA -0.133 4.507 4.640 0.000 0.000 0.248 274 D C -0.396 175.850 176.300 -0.090 0.000 0.431 274 D CA 1.101 55.166 54.000 0.107 0.000 0.877 274 D CB -0.737 40.252 40.800 0.315 0.000 1.521 274 D HN 0.551 nan 8.370 nan 0.000 0.680 275 D N 1.312 121.689 120.400 -0.037 0.000 2.705 275 D HA -0.136 4.504 4.640 0.000 0.000 0.240 275 D C -0.239 176.076 176.300 0.025 0.000 1.137 275 D CA 1.422 55.383 54.000 -0.064 0.000 0.677 275 D CB -1.049 39.661 40.800 -0.150 0.000 1.049 275 D HN 0.434 nan 8.370 nan 0.000 0.427 276 T N -2.451 112.182 114.554 0.131 0.000 2.748 276 T HA 0.200 4.550 4.350 0.000 0.000 0.304 276 T C 1.343 176.064 174.700 0.035 0.000 1.041 276 T CA 0.060 62.267 62.100 0.178 0.000 1.033 276 T CB 1.186 70.192 68.868 0.230 0.000 0.995 276 T HN 0.141 nan 8.240 nan 0.000 0.536 277 E N 0.311 120.526 120.200 0.026 0.000 2.077 277 E HA -0.131 4.219 4.350 0.000 0.000 0.193 277 E C 1.545 178.092 176.600 -0.088 0.000 0.989 277 E CA 1.341 57.724 56.400 -0.029 0.000 0.800 277 E CB -0.376 29.309 29.700 -0.026 0.000 0.746 277 E HN 0.667 nan 8.360 nan 0.000 0.452 278 D N -0.566 119.773 120.400 -0.101 0.000 2.310 278 D HA -0.057 4.583 4.640 0.000 0.000 0.212 278 D C 1.656 177.686 176.300 -0.450 0.000 0.965 278 D CA 0.582 54.497 54.000 -0.141 0.000 0.879 278 D CB -0.111 40.710 40.800 0.036 0.000 0.921 278 D HN 0.082 nan 8.370 nan 0.000 0.510 279 S N 0.247 115.587 115.700 -0.600 0.000 2.399 279 S HA -0.143 4.327 4.470 0.000 0.000 0.231 279 S C 2.100 176.366 174.600 -0.558 0.000 1.022 279 S CA 1.134 58.724 58.200 -1.016 0.000 0.983 279 S CB -0.160 62.740 63.200 -0.501 0.000 0.803 279 S HN 0.426 nan 8.310 nan 0.000 0.480 280 S N -0.095 115.433 115.700 -0.287 0.000 2.474 280 S HA -0.050 4.421 4.470 0.000 0.000 0.235 280 S C 1.457 176.003 174.600 -0.090 0.000 0.997 280 S CA 0.722 58.834 58.200 -0.146 0.000 0.949 280 S CB -0.670 62.470 63.200 -0.100 0.000 0.766 280 S HN 0.548 nan 8.310 nan 0.000 0.517 281 C N 1.224 120.462 119.300 -0.103 0.000 2.884 281 C HA 0.485 4.945 4.460 0.000 0.000 0.287 281 C C 0.067 175.151 174.990 0.156 0.000 1.310 281 C CA -1.215 57.812 59.018 0.015 0.000 1.725 281 C CB -1.748 26.005 27.740 0.021 0.000 2.060 281 C HN 0.471 nan 8.230 nan 0.000 0.618 282 Y N 0.859 121.174 120.300 0.025 0.000 2.330 282 Y HA 0.401 4.951 4.550 0.000 0.000 0.341 282 Y C 0.606 176.521 175.900 0.024 0.000 1.278 282 Y CA -0.942 57.176 58.100 0.030 0.000 1.453 282 Y CB 0.146 38.629 38.460 0.039 0.000 1.342 282 Y HN 0.052 nan 8.280 nan 0.000 0.590 283 I N 4.415 125.097 120.570 0.186 0.000 2.390 283 I HA 0.251 4.421 4.170 0.000 0.000 0.283 283 I C -2.208 173.959 176.117 0.084 0.000 1.016 283 I CA -2.019 59.342 61.300 0.102 0.000 1.151 283 I CB 1.398 39.436 38.000 0.063 0.000 1.293 283 I HN 0.338 nan 8.210 nan 0.000 0.458 284 P HA 0.283 nan 4.420 nan 0.000 0.274 284 P C -2.620 174.748 177.300 0.112 0.000 1.246 284 P CA -1.681 61.468 63.100 0.081 0.000 0.795 284 P CB -0.375 31.362 31.700 0.062 0.000 1.006 285 P HA 0.021 nan 4.420 nan 0.000 0.265 285 P C -0.394 176.942 177.300 0.061 0.000 1.193 285 P CA -0.006 63.133 63.100 0.065 0.000 0.765 285 P CB 0.154 31.864 31.700 0.018 0.000 0.823 286 L N 4.419 125.673 121.223 0.053 0.000 2.313 286 L HA 0.200 4.541 4.340 0.000 0.000 0.282 286 L C -0.007 176.868 176.870 0.008 0.000 1.092 286 L CA 0.575 55.460 54.840 0.075 0.000 0.831 286 L CB -0.197 41.944 42.059 0.137 0.000 1.159 286 L HN 0.276 nan 8.230 nan 0.000 0.442 287 T N 4.138 118.701 114.554 0.015 0.000 2.870 287 T HA 0.403 4.754 4.350 0.000 0.000 0.300 287 T C 0.092 174.766 174.700 -0.042 0.000 0.989 287 T CA 0.133 62.212 62.100 -0.035 0.000 1.139 287 T CB 0.348 69.203 68.868 -0.023 0.000 0.920 287 T HN 0.805 nan 8.240 nan 0.000 0.537 288 T N 2.461 116.956 114.554 -0.098 0.000 2.830 288 T HA 0.413 4.764 4.350 0.000 0.000 0.322 288 T C -1.375 173.210 174.700 -0.192 0.000 1.501 288 T CA -0.816 61.226 62.100 -0.096 0.000 1.036 288 T CB 0.694 69.534 68.868 -0.048 0.000 1.379 288 T HN 0.300 nan 8.240 nan 0.000 0.493 289 I N 3.581 123.982 120.570 -0.281 0.000 2.363 289 I HA 0.305 4.476 4.170 0.000 0.000 0.292 289 I C 0.651 176.510 176.117 -0.429 0.000 1.075 289 I CA -0.248 60.781 61.300 -0.452 0.000 1.333 289 I CB 0.618 38.072 38.000 -0.911 0.000 1.415 289 I HN 0.593 nan 8.210 nan 0.000 0.502 290 K N 7.244 127.431 120.400 -0.355 0.000 2.312 290 K HA 0.213 4.533 4.320 0.000 0.000 0.287 290 K C -0.450 175.831 176.600 -0.531 0.000 1.062 290 K CA -0.338 55.724 56.287 -0.375 0.000 0.934 290 K CB 0.625 32.958 32.500 -0.278 0.000 1.027 290 K HN 0.529 nan 8.250 nan 0.000 0.478 291 Q N 3.339 122.657 119.800 -0.805 0.000 2.348 291 Q HA 0.084 4.424 4.340 0.000 0.000 0.265 291 Q C -1.183 174.008 176.000 -1.349 0.000 0.998 291 Q CA -0.795 54.161 55.803 -1.411 0.000 0.831 291 Q CB 1.597 29.235 28.738 -1.833 0.000 1.251 291 Q HN 0.520 nan 8.270 nan 0.000 0.456 292 D N 2.800 122.824 120.400 -0.627 0.000 2.402 292 D HA 0.042 4.682 4.640 0.000 0.000 0.235 292 D C -0.039 176.256 176.300 -0.008 0.000 1.226 292 D CA -0.229 53.609 54.000 -0.269 0.000 0.918 292 D CB 0.213 40.983 40.800 -0.049 0.000 1.043 292 D HN 0.364 nan 8.370 nan 0.000 0.506 293 F N 2.350 122.387 119.950 0.145 0.000 2.407 293 F HA 0.028 4.555 4.527 0.000 0.000 0.299 293 F C 2.288 178.159 175.800 0.120 0.000 1.097 293 F CA 0.466 58.574 58.000 0.181 0.000 1.422 293 F CB -0.251 38.805 39.000 0.094 0.000 1.067 293 F HN 0.303 nan 8.300 nan 0.000 0.539 294 R N -0.253 120.377 120.500 0.216 0.000 2.075 294 R HA -0.115 4.225 4.340 0.000 0.000 0.232 294 R C 2.132 178.495 176.300 0.107 0.000 1.126 294 R CA 1.092 57.272 56.100 0.133 0.000 0.963 294 R CB -0.926 29.422 30.300 0.080 0.000 0.858 294 R HN 0.234 nan 8.270 nan 0.000 0.435 295 L N 1.341 122.626 121.223 0.103 0.000 2.012 295 L HA -0.176 4.164 4.340 0.000 0.000 0.210 295 L C 2.151 179.061 176.870 0.067 0.000 1.073 295 L CA 1.505 56.391 54.840 0.076 0.000 0.748 295 L CB -0.669 41.439 42.059 0.081 0.000 0.891 295 L HN 0.111 nan 8.230 nan 0.000 0.431 296 L N -0.120 121.174 121.223 0.119 0.000 1.990 296 L HA -0.116 4.224 4.340 0.000 0.000 0.213 296 L C 2.377 179.279 176.870 0.054 0.000 1.072 296 L CA 2.339 57.210 54.840 0.051 0.000 0.755 296 L CB -1.497 40.662 42.059 0.166 0.000 0.889 296 L HN 0.348 nan 8.230 nan 0.000 0.432 297 G N -1.476 107.383 108.800 0.098 0.000 2.442 297 G HA2 -0.321 3.639 3.960 0.000 0.000 0.219 297 G HA3 -0.321 3.639 3.960 0.000 0.000 0.219 297 G C 1.480 176.400 174.900 0.034 0.000 1.141 297 G CA 0.769 45.906 45.100 0.060 0.000 0.763 297 G HN 0.516 nan 8.290 nan 0.000 0.554 298 Q N 0.946 120.768 119.800 0.036 0.000 2.016 298 Q HA -0.139 4.202 4.340 0.000 0.000 0.200 298 Q C 2.770 178.774 176.000 0.007 0.000 0.978 298 Q CA 2.489 58.304 55.803 0.020 0.000 0.833 298 Q CB -0.869 27.882 28.738 0.022 0.000 0.895 298 Q HN 0.544 nan 8.270 nan 0.000 0.427 299 T N -0.888 113.667 114.554 0.002 0.000 2.746 299 T HA -0.136 4.214 4.350 0.000 0.000 0.267 299 T C 2.190 176.882 174.700 -0.015 0.000 1.039 299 T CA 2.070 64.163 62.100 -0.012 0.000 1.142 299 T CB -0.685 68.165 68.868 -0.029 0.000 0.866 299 T HN 0.389 nan 8.240 nan 0.000 0.444 300 S N 1.271 116.962 115.700 -0.015 0.000 2.382 300 S HA -0.069 4.401 4.470 0.000 0.000 0.228 300 S C 2.088 176.679 174.600 -0.014 0.000 1.027 300 S CA 1.027 59.218 58.200 -0.016 0.000 0.991 300 S CB -1.091 62.100 63.200 -0.016 0.000 0.823 300 S HN 0.376 nan 8.310 nan 0.000 0.469 301 V N 2.818 122.727 119.914 -0.008 0.000 2.307 301 V HA -0.139 3.981 4.120 0.000 0.000 0.245 301 V C 2.466 178.554 176.094 -0.008 0.000 1.045 301 V CA 2.184 64.478 62.300 -0.009 0.000 1.024 301 V CB -0.912 30.908 31.823 -0.005 0.000 0.651 301 V HN 0.419 nan 8.190 nan 0.000 0.449 302 D N -0.231 120.165 120.400 -0.006 0.000 2.123 302 D HA -0.193 4.447 4.640 0.000 0.000 0.196 302 D C 2.294 178.591 176.300 -0.006 0.000 0.992 302 D CA 1.414 55.410 54.000 -0.005 0.000 0.833 302 D CB -0.235 40.562 40.800 -0.004 0.000 0.954 302 D HN 0.317 nan 8.370 nan 0.000 0.455 303 R N -0.081 120.415 120.500 -0.008 0.000 2.090 303 R HA -0.024 4.316 4.340 0.000 0.000 0.228 303 R C 2.180 178.477 176.300 -0.006 0.000 1.110 303 R CA 0.440 56.536 56.100 -0.006 0.000 0.973 303 R CB -0.370 29.927 30.300 -0.006 0.000 0.869 303 R HN 0.080 nan 8.270 nan 0.000 0.440 304 L N 0.602 121.818 121.223 -0.011 0.000 2.083 304 L HA -0.104 4.236 4.340 0.000 0.000 0.209 304 L C 1.764 178.627 176.870 -0.011 0.000 1.083 304 L CA 1.662 56.493 54.840 -0.015 0.000 0.752 304 L CB -0.189 41.855 42.059 -0.025 0.000 0.899 304 L HN 0.253 nan 8.230 nan 0.000 0.433 305 L N -1.479 119.738 121.223 -0.009 0.000 2.156 305 L HA -0.171 4.169 4.340 0.000 0.000 0.208 305 L C 2.548 179.415 176.870 -0.004 0.000 1.095 305 L CA 0.916 55.752 54.840 -0.007 0.000 0.770 305 L CB -0.549 41.506 42.059 -0.007 0.000 0.914 305 L HN 0.342 nan 8.230 nan 0.000 0.439 306 Q N 0.189 119.987 119.800 -0.003 0.000 2.030 306 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 306 Q C 2.384 178.385 176.000 0.001 0.000 0.986 306 Q CA 1.515 57.318 55.803 -0.001 0.000 0.843 306 Q CB -0.267 28.471 28.738 -0.000 0.000 0.904 306 Q HN 0.458 nan 8.270 nan 0.000 0.420 307 L N 0.696 121.920 121.223 0.002 0.000 2.013 307 L HA -0.252 4.088 4.340 0.000 0.000 0.212 307 L C 2.685 179.557 176.870 0.003 0.000 1.073 307 L CA 1.576 56.419 54.840 0.005 0.000 0.753 307 L CB -0.728 41.336 42.059 0.007 0.000 0.890 307 L HN 0.341 nan 8.230 nan 0.000 0.432 308 S N -1.080 114.620 115.700 -0.001 0.000 2.447 308 S HA -0.217 4.253 4.470 0.000 0.000 0.233 308 S C 1.716 176.316 174.600 -0.001 0.000 1.006 308 S CA 0.836 59.034 58.200 -0.002 0.000 0.957 308 S CB -0.302 62.894 63.200 -0.006 0.000 0.773 308 S HN 0.514 nan 8.310 nan 0.000 0.507 309 Q N 0.534 120.333 119.800 -0.001 0.000 2.403 309 Q HA 0.288 4.628 4.340 0.000 0.000 0.203 309 Q C 1.142 177.143 176.000 0.002 0.000 0.932 309 Q CA 0.239 56.042 55.803 -0.000 0.000 0.945 309 Q CB 0.023 28.760 28.738 -0.001 0.000 1.045 309 Q HN 0.809 nan 8.270 nan 0.000 0.511 310 G N 1.444 110.246 108.800 0.003 0.000 2.137 310 G HA2 -0.315 3.645 3.960 0.000 0.000 0.237 310 G HA3 -0.315 3.645 3.960 0.000 0.000 0.237 310 G C -0.128 174.774 174.900 0.005 0.000 1.002 310 G CA -0.085 45.017 45.100 0.005 0.000 0.702 310 G HN 0.341 nan 8.290 nan 0.000 0.515 311 Q N 0.056 119.859 119.800 0.004 0.000 2.289 311 Q HA 0.561 4.901 4.340 0.000 0.000 0.273 311 Q C 1.025 177.028 176.000 0.006 0.000 1.029 311 Q CA 0.459 56.264 55.803 0.004 0.000 0.896 311 Q CB 0.676 29.415 28.738 0.003 0.000 1.182 311 Q HN 0.852 nan 8.270 nan 0.000 0.385 312 A N 4.038 126.862 122.820 0.006 0.000 3.052 312 A HA 0.200 4.520 4.320 0.000 0.000 0.266 312 A C 0.266 177.854 177.584 0.007 0.000 1.855 312 A CA -0.150 51.891 52.037 0.007 0.000 1.473 312 A CB -0.800 18.203 19.000 0.006 0.000 1.038 312 A HN 0.612 nan 8.150 nan 0.000 0.619 313 V N -1.576 118.343 119.914 0.009 0.000 2.854 313 V HA 0.336 4.457 4.120 0.000 0.000 0.366 313 V C -0.025 176.077 176.094 0.014 0.000 1.322 313 V CA -0.781 61.524 62.300 0.009 0.000 1.243 313 V CB -0.910 30.917 31.823 0.006 0.000 1.337 313 V HN 0.441 nan 8.190 nan 0.000 0.585 314 K N 1.550 121.959 120.400 0.016 0.000 2.126 314 K HA 0.835 5.156 4.320 0.000 0.000 0.257 314 K C 0.752 177.365 176.600 0.021 0.000 1.007 314 K CA 0.718 57.018 56.287 0.023 0.000 0.928 314 K CB 1.085 33.598 32.500 0.022 0.000 1.013 314 K HN 0.849 nan 8.250 nan 0.000 0.473 315 G N 0.791 109.608 108.800 0.028 0.000 2.526 315 G HA2 -0.227 3.733 3.960 0.000 0.000 0.250 315 G HA3 -0.227 3.733 3.960 0.000 0.000 0.250 315 G C -1.211 173.704 174.900 0.026 0.000 1.289 315 G CA -0.756 44.358 45.100 0.022 0.000 0.947 315 G HN 0.732 nan 8.290 nan 0.000 0.517 316 N N 0.468 119.180 118.700 0.019 0.000 2.499 316 N HA 0.376 5.116 4.740 0.000 0.000 0.281 316 N C -0.274 175.242 175.510 0.010 0.000 1.098 316 N CA 0.034 53.095 53.050 0.020 0.000 0.979 316 N CB 1.123 39.623 38.487 0.022 0.000 1.121 316 N HN 0.718 nan 8.380 nan 0.000 0.466 317 Q N 4.407 124.208 119.800 0.002 0.000 2.331 317 Q HA 0.340 4.680 4.340 0.000 0.000 0.267 317 Q C -1.092 174.892 176.000 -0.026 0.000 1.006 317 Q CA -0.704 55.092 55.803 -0.013 0.000 0.818 317 Q CB 1.291 30.017 28.738 -0.021 0.000 1.276 317 Q HN 0.595 nan 8.270 nan 0.000 0.450 318 L N 4.385 125.595 121.223 -0.021 0.000 2.334 318 L HA 0.432 4.773 4.340 0.000 0.000 0.277 318 L C -0.378 176.466 176.870 -0.045 0.000 1.075 318 L CA -0.569 54.255 54.840 -0.027 0.000 0.804 318 L CB 0.940 42.995 42.059 -0.006 0.000 1.174 318 L HN 0.529 nan 8.230 nan 0.000 0.438 319 L N 4.709 125.886 121.223 -0.076 0.000 2.317 319 L HA 0.524 4.864 4.340 0.000 0.000 0.281 319 L C -2.066 174.865 176.870 0.101 0.000 1.024 319 L CA -1.887 52.924 54.840 -0.047 0.000 0.810 319 L CB 1.838 43.744 42.059 -0.255 0.000 1.240 319 L HN 0.378 nan 8.230 nan 0.000 0.427 320 P HA 0.241 nan 4.420 nan 0.000 0.274 320 P C -0.980 176.399 177.300 0.132 0.000 1.246 320 P CA -0.235 62.915 63.100 0.084 0.000 0.795 320 P CB 1.668 33.389 31.700 0.034 0.000 1.006 321 V N -2.330 117.610 119.914 0.044 0.000 3.141 321 V HA 0.909 5.029 4.120 0.000 0.000 0.312 321 V C -0.284 175.751 176.094 -0.098 0.000 1.157 321 V CA -0.919 61.347 62.300 -0.057 0.000 1.041 321 V CB 1.364 33.120 31.823 -0.112 0.000 1.071 321 V HN 0.848 nan 8.190 nan 0.000 0.441 322 S N 0.829 116.433 115.700 -0.159 0.000 2.651 322 S HA 0.807 5.277 4.470 0.000 0.000 0.279 322 S C -1.220 173.266 174.600 -0.190 0.000 1.148 322 S CA -0.772 57.341 58.200 -0.145 0.000 0.837 322 S CB 1.724 64.854 63.200 -0.116 0.000 1.138 322 S HN 1.423 nan 8.310 nan 0.000 0.478 323 L N 1.860 122.980 121.223 -0.173 0.000 2.275 323 L HA 0.661 5.002 4.340 0.000 0.000 0.288 323 L C -1.107 175.651 176.870 -0.187 0.000 1.046 323 L CA -0.398 54.316 54.840 -0.209 0.000 0.805 323 L CB 1.232 43.150 42.059 -0.234 0.000 1.193 323 L HN 0.629 nan 8.230 nan 0.000 0.426 324 V N 5.330 125.132 119.914 -0.187 0.000 2.348 324 V HA 0.310 4.430 4.120 0.000 0.000 0.270 324 V C 0.180 176.182 176.094 -0.154 0.000 1.037 324 V CA -0.773 61.438 62.300 -0.148 0.000 0.872 324 V CB 0.570 32.315 31.823 -0.131 0.000 1.002 324 V HN 0.647 nan 8.190 nan 0.000 0.464 325 K N 5.762 126.081 120.400 -0.135 0.000 2.310 325 K HA 0.406 4.726 4.320 0.000 0.000 0.290 325 K C 0.358 176.930 176.600 -0.047 0.000 1.077 325 K CA -0.167 56.058 56.287 -0.103 0.000 0.922 325 K CB 1.040 33.507 32.500 -0.054 0.000 1.057 325 K HN 0.622 nan 8.250 nan 0.000 0.479 326 R N 1.627 122.110 120.500 -0.029 0.000 2.495 326 R HA 0.319 4.659 4.340 0.000 0.000 0.109 326 R C 0.317 176.631 176.300 0.023 0.000 1.362 326 R CA -0.673 55.424 56.100 -0.006 0.000 1.165 326 R CB 0.174 30.466 30.300 -0.014 0.000 1.003 326 R HN 0.203 nan 8.270 nan 0.000 0.412 327 K N 1.273 121.694 120.400 0.035 0.000 2.536 327 K HA 0.147 4.468 4.320 0.000 0.000 0.203 327 K C 0.650 177.285 176.600 0.059 0.000 1.063 327 K CA 0.240 56.555 56.287 0.046 0.000 1.063 327 K CB 1.449 33.973 32.500 0.040 0.000 0.843 327 K HN 0.583 nan 8.250 nan 0.000 0.521 328 T N -1.629 112.965 114.554 0.066 0.000 3.105 328 T HA 0.063 4.413 4.350 0.000 0.000 0.253 328 T C 0.639 175.382 174.700 0.073 0.000 1.047 328 T CA -0.179 61.962 62.100 0.068 0.000 0.944 328 T CB -0.105 68.807 68.868 0.073 0.000 1.016 328 T HN 0.102 nan 8.240 nan 0.000 0.544 329 T N 0.247 114.861 114.554 0.102 0.000 2.928 329 T HA 0.759 5.110 4.350 0.000 0.000 0.296 329 T C -0.919 173.851 174.700 0.116 0.000 1.000 329 T CA -0.852 61.323 62.100 0.124 0.000 0.989 329 T CB 1.764 70.769 68.868 0.228 0.000 1.005 329 T HN 0.232 nan 8.240 nan 0.000 0.442 330 L N 1.566 122.863 121.223 0.123 0.000 2.409 330 L HA 0.827 5.168 4.340 0.000 0.000 0.255 330 L C 0.430 177.337 176.870 0.062 0.000 1.027 330 L CA -1.739 53.146 54.840 0.075 0.000 0.834 330 L CB 1.945 44.035 42.059 0.052 0.000 1.426 330 L HN 0.953 nan 8.230 nan 0.000 0.411 331 A N 1.650 124.442 122.820 -0.046 0.000 2.483 331 A HA 0.432 4.752 4.320 0.000 0.000 0.238 331 A C -2.343 175.129 177.584 -0.187 0.000 1.070 331 A CA -0.660 51.270 52.037 -0.178 0.000 0.770 331 A CB -0.687 18.234 19.000 -0.133 0.000 1.008 331 A HN 0.360 nan 8.150 nan 0.000 0.497 332 P HA 0.078 nan 4.420 nan 0.000 0.276 332 P C -0.610 176.632 177.300 -0.097 0.000 1.235 332 P CA -0.341 62.640 63.100 -0.198 0.000 0.772 332 P CB -0.040 31.490 31.700 -0.284 0.000 0.871 333 N N 1.029 119.707 118.700 -0.037 0.000 3.054 333 N HA -0.140 4.600 4.740 0.000 0.000 0.305 333 N C -0.254 175.236 175.510 -0.034 0.000 1.084 333 N CA 0.688 53.724 53.050 -0.024 0.000 0.842 333 N CB -0.754 37.728 38.487 -0.009 0.000 0.953 333 N HN 0.548 nan 8.380 nan 0.000 0.625 334 T N -2.074 112.457 114.554 -0.037 0.000 2.861 334 T HA 0.228 4.578 4.350 0.000 0.000 0.287 334 T C 0.701 175.386 174.700 -0.024 0.000 1.003 334 T CA -1.103 60.976 62.100 -0.035 0.000 0.977 334 T CB 1.819 70.659 68.868 -0.047 0.000 0.996 334 T HN 0.402 nan 8.240 nan 0.000 0.448 335 Q N 1.072 120.861 119.800 -0.019 0.000 2.425 335 Q HA 0.110 4.450 4.340 0.000 0.000 0.213 335 Q C -0.271 175.721 176.000 -0.012 0.000 0.950 335 Q CA 0.146 55.941 55.803 -0.013 0.000 0.979 335 Q CB -0.364 28.368 28.738 -0.011 0.000 0.997 335 Q HN 0.522 nan 8.270 nan 0.000 0.509 336 T N 1.053 115.599 114.554 -0.015 0.000 2.892 336 T HA 0.544 4.895 4.350 0.000 0.000 0.311 336 T C -0.602 174.091 174.700 -0.012 0.000 1.033 336 T CA -0.429 61.664 62.100 -0.012 0.000 0.991 336 T CB 1.143 70.003 68.868 -0.014 0.000 0.981 336 T HN 0.444 nan 8.240 nan 0.000 0.457 337 A N 3.680 126.496 122.820 -0.007 0.000 2.531 337 A HA 0.484 4.805 4.320 0.000 0.000 0.236 337 A C 0.935 178.517 177.584 -0.004 0.000 1.062 337 A CA -0.300 51.734 52.037 -0.003 0.000 0.760 337 A CB -0.022 18.979 19.000 0.001 0.000 0.995 337 A HN 0.926 nan 8.150 nan 0.000 0.501 338 S N 2.783 118.482 115.700 -0.002 0.000 2.576 338 S HA 0.321 4.791 4.470 0.000 0.000 0.276 338 S C -1.852 172.751 174.600 0.004 0.000 1.339 338 S CA -0.755 57.445 58.200 -0.000 0.000 1.039 338 S CB 0.595 63.796 63.200 0.003 0.000 0.902 338 S HN 0.489 nan 8.310 nan 0.000 0.516 339 P HA -0.186 nan 4.420 nan 0.000 0.215 339 P C 1.654 178.959 177.300 0.008 0.000 1.157 339 P CA 1.295 64.398 63.100 0.005 0.000 0.874 339 P CB -0.020 31.683 31.700 0.004 0.000 0.790 340 R N -0.209 120.298 120.500 0.012 0.000 2.096 340 R HA -0.103 4.237 4.340 0.000 0.000 0.235 340 R C 1.984 178.294 176.300 0.017 0.000 1.127 340 R CA 1.691 57.801 56.100 0.016 0.000 0.968 340 R CB -0.749 29.565 30.300 0.023 0.000 0.861 340 R HN 0.087 nan 8.270 nan 0.000 0.440 341 A N 1.144 123.974 122.820 0.016 0.000 1.872 341 A HA -0.078 4.242 4.320 0.000 0.000 0.214 341 A C 2.013 179.605 177.584 0.013 0.000 1.187 341 A CA 0.720 52.767 52.037 0.017 0.000 0.614 341 A CB -0.411 18.599 19.000 0.017 0.000 0.826 341 A HN 0.249 nan 8.150 nan 0.000 0.442 342 L N -0.045 121.184 121.223 0.010 0.000 2.013 342 L HA -0.204 4.137 4.340 0.000 0.000 0.212 342 L C 3.023 179.897 176.870 0.008 0.000 1.073 342 L CA 2.042 56.886 54.840 0.008 0.000 0.753 342 L CB -1.552 40.510 42.059 0.005 0.000 0.890 342 L HN 0.434 nan 8.230 nan 0.000 0.432 343 A N -0.666 122.159 122.820 0.008 0.000 1.883 343 A HA -0.242 4.079 4.320 0.000 0.000 0.217 343 A C 2.044 179.634 177.584 0.009 0.000 1.186 343 A CA 2.013 54.055 52.037 0.008 0.000 0.624 343 A CB -0.679 18.326 19.000 0.008 0.000 0.822 343 A HN 0.448 nan 8.150 nan 0.000 0.444 344 D N -0.162 120.244 120.400 0.011 0.000 2.117 344 D HA -0.082 4.558 4.640 0.000 0.000 0.197 344 D C 2.311 178.618 176.300 0.012 0.000 0.987 344 D CA 1.556 55.564 54.000 0.012 0.000 0.829 344 D CB -0.420 40.390 40.800 0.016 0.000 0.961 344 D HN 0.389 nan 8.370 nan 0.000 0.460 345 S N 0.520 116.227 115.700 0.011 0.000 2.370 345 S HA -0.104 4.366 4.470 0.000 0.000 0.226 345 S C 2.229 176.834 174.600 0.008 0.000 1.033 345 S CA 0.617 58.823 58.200 0.010 0.000 1.011 345 S CB -0.250 62.955 63.200 0.010 0.000 0.852 345 S HN 0.249 nan 8.310 nan 0.000 0.457 346 L N 0.643 121.870 121.223 0.007 0.000 2.093 346 L HA -0.085 4.256 4.340 0.000 0.000 0.208 346 L C 2.512 179.386 176.870 0.006 0.000 1.085 346 L CA 1.074 55.918 54.840 0.006 0.000 0.755 346 L CB -0.511 41.551 42.059 0.005 0.000 0.904 346 L HN 0.334 nan 8.230 nan 0.000 0.435 347 M N -0.894 118.710 119.600 0.007 0.000 2.159 347 M HA -0.249 4.231 4.480 0.000 0.000 0.263 347 M C 2.391 178.695 176.300 0.007 0.000 1.063 347 M CA 1.669 56.972 55.300 0.006 0.000 1.110 347 M CB -0.356 32.248 32.600 0.007 0.000 1.374 347 M HN 0.286 nan 8.290 nan 0.000 0.411 348 Q N 0.927 120.732 119.800 0.008 0.000 2.084 348 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 348 Q C 1.974 177.979 176.000 0.007 0.000 0.978 348 Q CA 1.347 57.156 55.803 0.009 0.000 0.844 348 Q CB -0.056 28.688 28.738 0.010 0.000 0.898 348 Q HN 0.521 nan 8.270 nan 0.000 0.426 349 L N 0.170 121.397 121.223 0.007 0.000 2.046 349 L HA -0.170 4.171 4.340 0.000 0.000 0.208 349 L C 2.592 179.465 176.870 0.005 0.000 1.077 349 L CA 0.969 55.812 54.840 0.006 0.000 0.747 349 L CB -0.619 41.443 42.059 0.005 0.000 0.896 349 L HN 0.295 nan 8.230 nan 0.000 0.432 350 A N 0.258 123.081 122.820 0.005 0.000 1.948 350 A HA -0.248 4.072 4.320 0.000 0.000 0.220 350 A C 2.368 179.954 177.584 0.004 0.000 1.177 350 A CA 1.792 53.832 52.037 0.004 0.000 0.636 350 A CB -0.495 18.507 19.000 0.004 0.000 0.815 350 A HN 0.355 nan 8.150 nan 0.000 0.449 351 R N -0.759 119.744 120.500 0.005 0.000 2.075 351 R HA -0.122 4.218 4.340 0.000 0.000 0.232 351 R C 2.500 178.803 176.300 0.004 0.000 1.126 351 R CA 1.633 57.735 56.100 0.005 0.000 0.963 351 R CB -0.322 29.981 30.300 0.005 0.000 0.858 351 R HN 0.702 nan 8.270 nan 0.000 0.435 352 Q N 0.049 119.852 119.800 0.005 0.000 2.079 352 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 352 Q C 2.231 178.233 176.000 0.004 0.000 0.974 352 Q CA 1.460 57.266 55.803 0.005 0.000 0.840 352 Q CB -0.058 28.683 28.738 0.005 0.000 0.898 352 Q HN 0.149 nan 8.270 nan 0.000 0.430 353 V N 1.375 121.291 119.914 0.004 0.000 2.287 353 V HA -0.304 3.817 4.120 0.000 0.000 0.248 353 V C 2.532 178.628 176.094 0.003 0.000 1.053 353 V CA 2.081 64.383 62.300 0.003 0.000 1.027 353 V CB -0.928 30.897 31.823 0.003 0.000 0.646 353 V HN 0.518 nan 8.190 nan 0.000 0.447 354 S N 0.456 116.157 115.700 0.003 0.000 2.400 354 S HA -0.244 4.227 4.470 0.000 0.000 0.232 354 S C 1.961 176.562 174.600 0.002 0.000 1.025 354 S CA 1.393 59.595 58.200 0.002 0.000 0.993 354 S CB -0.561 62.641 63.200 0.002 0.000 0.808 354 S HN 0.603 nan 8.310 nan 0.000 0.478 355 R N 0.487 120.989 120.500 0.003 0.000 2.323 355 R HA 0.292 4.632 4.340 0.000 0.000 0.198 355 R C 1.524 177.826 176.300 0.003 0.000 0.988 355 R CA 0.286 56.388 56.100 0.003 0.000 1.041 355 R CB -0.411 29.891 30.300 0.003 0.000 0.926 355 R HN 0.480 nan 8.270 nan 0.000 0.476 356 L N 0.575 121.799 121.223 0.002 0.000 2.549 356 L HA -0.042 4.298 4.340 0.000 0.000 0.229 356 L C 1.265 178.137 176.870 0.002 0.000 1.158 356 L CA 0.586 55.428 54.840 0.002 0.000 0.842 356 L CB -0.348 41.713 42.059 0.002 0.000 0.952 356 L HN 0.236 nan 8.230 nan 0.000 0.452 357 E N 0.345 120.546 120.200 0.002 0.000 2.391 357 E HA 0.063 4.413 4.350 0.000 0.000 0.255 357 E C 0.673 177.273 176.600 0.002 0.000 1.187 357 E CA 0.097 56.498 56.400 0.002 0.000 0.941 357 E CB 0.842 30.543 29.700 0.002 0.000 1.010 357 E HN 0.196 nan 8.360 nan 0.000 0.458 358 S N 0.924 116.625 115.700 0.001 0.000 2.423 358 S HA 0.332 4.802 4.470 0.000 0.000 0.244 358 S C 0.736 175.337 174.600 0.001 0.000 1.267 358 S CA -0.143 58.058 58.200 0.001 0.000 0.988 358 S CB 0.606 63.807 63.200 0.001 0.000 0.978 358 S HN 0.640 nan 8.310 nan 0.000 0.506 359 G N -0.188 108.613 108.800 0.001 0.000 4.988 359 G HA2 0.472 4.433 3.960 0.000 0.000 0.227 359 G HA3 0.472 4.433 3.960 0.000 0.000 0.227 359 G C -0.633 174.268 174.900 0.001 0.000 0.955 359 G CA -0.262 44.839 45.100 0.001 0.000 0.784 359 G HN 0.727 nan 8.290 nan 0.000 0.537 360 Q N 0.000 119.800 119.800 0.001 0.000 2.315 360 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 360 Q CA 0.000 55.803 55.803 0.001 0.000 1.022 360 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 360 Q HN 0.000 nan 8.270 nan 0.000 0.481