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 1e9r_1_A DATA FIRST_RESID 74 DATA SEQUENCE VGQGEFGGAP FKRFLRGTRI VSGGKLKRMT REKAKQVTVA GVPMPRDAEP DATA SEQUENCE RHLLVNGATG TGKSVLLREL AYTGLLRGDR MVIVDPNGDM LSKFGRDKDI DATA SEQUENCE ILNPYDQRTK GWSFFNEIRN DYDWQRYALS VVPRGKTDEA EEWASYGRLL DATA SEQUENCE LRETAKKLAL IGTPSMRELF HWTTIATFDD LRGFLEGTLA ESLFAGSNEA DATA SEQUENCE SKALTSARFV LSDKLPEHVT MPDGDFSIRS WLEDPNGGNL FITWREDMGP DATA SEQUENCE ALRPLISAWV DVVCTSILSL PEEPKRRLWL FIDELASLEK LASLADALTK DATA SEQUENCE GRKAGLRVVA GLQSTSQLDD VYGVKEAQTL RASFRSLVVL GGSRTDPKTN DATA SEQUENCE EDMSLSLGEH EVERDRXXXX XXXXXXXXXA LERVRERVVM PAEIANLPDL DATA SEQUENCE TAYVGFAGNR PIAKVPLEIK QFANRQPAFV EGT 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 74 V HA 0.000 nan 4.120 nan 0.000 0.244 74 V C 0.000 175.957 176.094 -0.228 0.000 1.182 74 V CA 0.000 62.245 62.300 -0.091 0.000 1.235 74 V CB 0.000 31.786 31.823 -0.061 0.000 1.184 75 G N -0.135 108.497 108.800 -0.281 0.000 2.796 75 G HA2 0.439 4.399 3.960 0.000 0.000 0.210 75 G HA3 0.439 4.399 3.960 0.000 0.000 0.210 75 G C 0.420 175.164 174.900 -0.260 0.000 1.146 75 G CA 0.764 45.500 45.100 -0.606 0.000 0.779 75 G HN 0.749 nan 8.290 nan 0.000 0.535 76 Q N -2.737 117.011 119.800 -0.087 0.000 1.900 76 Q HA -0.084 4.256 4.340 0.000 0.000 0.048 76 Q C 1.043 177.079 176.000 0.060 0.000 1.340 76 Q CA 0.715 56.512 55.803 -0.010 0.000 0.202 76 Q CB -1.285 27.440 28.738 -0.022 0.000 4.630 76 Q HN 0.366 nan 8.270 nan 0.000 0.299 77 G N 0.742 109.569 108.800 0.046 0.000 2.807 77 G HA2 -0.119 3.841 3.960 0.000 0.000 0.207 77 G HA3 -0.119 3.841 3.960 0.000 0.000 0.207 77 G C 0.751 175.700 174.900 0.081 0.000 1.151 77 G CA 0.897 46.029 45.100 0.054 0.000 0.800 77 G HN 0.545 nan 8.290 nan 0.000 0.523 78 E N -0.299 119.979 120.200 0.131 0.000 2.201 78 E HA 0.045 4.395 4.350 0.000 0.000 0.193 78 E C 0.347 177.103 176.600 0.261 0.000 0.957 78 E CA -0.477 56.021 56.400 0.164 0.000 0.858 78 E CB -0.210 29.583 29.700 0.155 0.000 0.816 78 E HN 0.269 nan 8.360 nan 0.000 0.475 79 F N 2.924 122.972 119.950 0.162 0.000 2.445 79 F HA 0.516 5.043 4.527 0.000 0.000 0.359 79 F C 1.356 177.257 175.800 0.168 0.000 1.101 79 F CA -0.616 57.512 58.000 0.213 0.000 1.177 79 F CB 1.515 40.738 39.000 0.372 0.000 1.110 79 F HN -0.040 nan 8.300 nan 0.000 0.522 80 G N 4.478 113.036 108.800 -0.403 0.000 2.509 80 G HA2 0.054 4.014 3.960 0.000 0.000 0.218 80 G HA3 0.054 4.014 3.960 0.000 0.000 0.218 80 G C 0.882 175.383 174.900 -0.664 0.000 1.124 80 G CA 0.456 45.308 45.100 -0.414 0.000 0.776 80 G HN 0.967 nan 8.290 nan 0.000 0.547 81 G N -0.144 107.706 108.800 -1.583 0.000 2.494 81 G HA2 0.503 4.463 3.960 0.000 0.000 0.270 81 G HA3 0.503 4.463 3.960 0.000 0.000 0.270 81 G C 0.263 174.995 174.900 -0.281 0.000 1.423 81 G CA 0.063 44.627 45.100 -0.894 0.000 1.055 81 G HN 0.543 nan 8.290 nan 0.000 0.536 82 A N 0.160 123.059 122.820 0.131 0.000 2.440 82 A HA 0.572 4.892 4.320 0.000 0.000 0.251 82 A C -2.070 175.784 177.584 0.450 0.000 1.089 82 A CA -0.788 51.388 52.037 0.232 0.000 0.779 82 A CB -0.042 19.081 19.000 0.205 0.000 1.022 82 A HN 0.396 nan 8.150 nan 0.000 0.492 83 P HA 0.351 nan 4.420 nan 0.000 0.269 83 P C -0.723 176.743 177.300 0.278 0.000 1.215 83 P CA 0.344 63.584 63.100 0.232 0.000 0.780 83 P CB 0.265 32.006 31.700 0.068 0.000 0.898 84 F N -0.729 119.295 119.950 0.122 0.000 2.620 84 F HA 0.638 5.165 4.527 0.000 0.000 0.320 84 F C 1.152 176.973 175.800 0.035 0.000 1.069 84 F CA -1.255 56.779 58.000 0.056 0.000 0.953 84 F CB 1.121 40.119 39.000 -0.003 0.000 1.322 84 F HN 0.097 nan 8.300 nan 0.000 0.479 85 K N -0.009 120.513 120.400 0.203 0.000 2.005 85 K HA 0.141 4.461 4.320 0.000 0.000 0.206 85 K C 0.222 176.911 176.600 0.149 0.000 1.044 85 K CA 0.855 57.205 56.287 0.104 0.000 0.942 85 K CB 0.194 32.745 32.500 0.086 0.000 0.727 85 K HN 0.731 nan 8.250 nan 0.000 0.439 86 R N -0.047 120.602 120.500 0.249 0.000 2.628 86 R HA 0.168 4.508 4.340 0.000 0.000 0.288 86 R C -1.716 174.754 176.300 0.284 0.000 0.980 86 R CA -0.648 55.596 56.100 0.240 0.000 0.891 86 R CB 1.118 31.483 30.300 0.109 0.000 1.188 86 R HN -0.009 nan 8.270 nan 0.000 0.450 87 F N 5.127 125.182 119.950 0.175 0.000 2.404 87 F HA 0.283 4.810 4.527 0.000 0.000 0.345 87 F C -0.091 175.674 175.800 -0.058 0.000 1.110 87 F CA -0.299 57.698 58.000 -0.006 0.000 1.130 87 F CB 0.806 39.871 39.000 0.107 0.000 1.129 87 F HN 0.513 nan 8.300 nan 0.000 0.500 88 L N 4.206 124.938 121.223 -0.819 0.000 2.379 88 L HA 0.348 4.688 4.340 0.000 0.000 0.190 88 L C 0.059 176.577 176.870 -0.588 0.000 1.111 88 L CA -0.024 54.511 54.840 -0.509 0.000 0.820 88 L CB -0.059 41.772 42.059 -0.380 0.000 1.046 88 L HN 0.586 nan 8.230 nan 0.000 0.485 89 R N -1.492 118.486 120.500 -0.871 0.000 2.766 89 R HA 0.729 5.069 4.340 0.000 0.000 0.270 89 R C -0.420 175.675 176.300 -0.343 0.000 1.035 89 R CA -0.300 55.554 56.100 -0.410 0.000 0.911 89 R CB 0.863 31.057 30.300 -0.177 0.000 1.243 89 R HN 0.182 nan 8.270 nan 0.000 0.460 90 G N -0.095 108.736 108.800 0.052 0.000 2.451 90 G HA2 -0.142 3.818 3.960 0.000 0.000 0.208 90 G HA3 -0.142 3.818 3.960 0.000 0.000 0.208 90 G C -1.012 174.074 174.900 0.309 0.000 1.248 90 G CA -0.412 44.768 45.100 0.132 0.000 0.989 90 G HN 0.690 nan 8.290 nan 0.000 0.559 91 T N 2.071 116.769 114.554 0.239 0.000 2.794 91 T HA 0.555 4.905 4.350 0.000 0.000 0.296 91 T C 0.697 175.551 174.700 0.256 0.000 0.949 91 T CA 0.087 62.301 62.100 0.190 0.000 1.101 91 T CB 0.585 69.501 68.868 0.080 0.000 0.905 91 T HN 0.587 nan 8.240 nan 0.000 0.516 92 R N 2.532 123.080 120.500 0.080 0.000 2.312 92 R HA 0.592 4.932 4.340 0.000 0.000 0.311 92 R C -0.349 175.968 176.300 0.028 0.000 1.004 92 R CA -0.611 55.432 56.100 -0.095 0.000 0.902 92 R CB 1.388 31.488 30.300 -0.334 0.000 1.073 92 R HN 0.583 nan 8.270 nan 0.000 0.457 93 I N 2.789 123.415 120.570 0.093 0.000 2.493 93 I HA 0.440 4.610 4.170 0.000 0.000 0.298 93 I C -0.978 175.211 176.117 0.121 0.000 0.998 93 I CA -0.854 60.534 61.300 0.146 0.000 1.137 93 I CB 1.544 39.690 38.000 0.243 0.000 1.310 93 I HN 0.300 nan 8.210 nan 0.000 0.445 94 V N 5.367 125.346 119.914 0.107 0.000 3.141 94 V HA 0.497 4.617 4.120 0.000 0.000 0.312 94 V C -0.189 175.956 176.094 0.084 0.000 1.157 94 V CA -0.421 61.926 62.300 0.078 0.000 1.041 94 V CB 2.751 34.604 31.823 0.050 0.000 1.071 94 V HN 0.893 nan 8.190 nan 0.000 0.441 95 S N 1.317 117.055 115.700 0.063 0.000 2.593 95 S HA 0.321 4.791 4.470 0.000 0.000 0.269 95 S C 1.326 175.954 174.600 0.046 0.000 1.334 95 S CA 0.223 58.453 58.200 0.051 0.000 1.015 95 S CB 1.226 64.448 63.200 0.037 0.000 0.912 95 S HN 1.267 nan 8.310 nan 0.000 0.541 96 G N 1.214 110.034 108.800 0.033 0.000 2.446 96 G HA2 -0.053 3.907 3.960 0.000 0.000 0.217 96 G HA3 -0.053 3.907 3.960 0.000 0.000 0.217 96 G C 1.368 176.293 174.900 0.042 0.000 1.168 96 G CA 0.648 45.769 45.100 0.035 0.000 0.771 96 G HN 1.022 nan 8.290 nan 0.000 0.551 97 G N 0.835 109.654 108.800 0.032 0.000 2.446 97 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 97 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 97 G C 1.789 176.709 174.900 0.033 0.000 1.168 97 G CA 1.546 46.664 45.100 0.030 0.000 0.771 97 G HN 0.529 nan 8.290 nan 0.000 0.551 98 K N 0.192 120.612 120.400 0.033 0.000 2.057 98 K HA -0.013 4.307 4.320 0.000 0.000 0.207 98 K C 2.288 178.913 176.600 0.042 0.000 1.049 98 K CA 1.022 57.328 56.287 0.032 0.000 0.931 98 K CB -0.687 31.830 32.500 0.028 0.000 0.714 98 K HN 0.259 nan 8.250 nan 0.000 0.440 99 L N 1.172 122.431 121.223 0.060 0.000 2.056 99 L HA -0.085 4.255 4.340 0.000 0.000 0.207 99 L C 1.686 178.609 176.870 0.088 0.000 1.078 99 L CA 1.851 56.744 54.840 0.088 0.000 0.749 99 L CB -0.474 41.657 42.059 0.121 0.000 0.901 99 L HN 0.138 nan 8.230 nan 0.000 0.433 100 K N -0.854 119.593 120.400 0.078 0.000 2.103 100 K HA -0.220 4.100 4.320 0.000 0.000 0.207 100 K C 2.302 178.926 176.600 0.039 0.000 1.048 100 K CA 1.569 57.895 56.287 0.066 0.000 0.930 100 K CB -0.286 32.248 32.500 0.057 0.000 0.716 100 K HN 0.293 nan 8.250 nan 0.000 0.444 101 R N 0.858 121.377 120.500 0.032 0.000 2.075 101 R HA -0.029 4.311 4.340 0.000 0.000 0.232 101 R C 2.273 178.582 176.300 0.014 0.000 1.126 101 R CA 1.408 57.520 56.100 0.019 0.000 0.963 101 R CB -0.032 30.278 30.300 0.018 0.000 0.858 101 R HN 0.168 nan 8.270 nan 0.000 0.435 102 M N -0.517 119.095 119.600 0.021 0.000 2.200 102 M HA -0.095 4.385 4.480 0.000 0.000 0.265 102 M C 2.103 178.401 176.300 -0.003 0.000 1.066 102 M CA 2.038 57.346 55.300 0.013 0.000 1.127 102 M CB -0.060 32.556 32.600 0.026 0.000 1.379 102 M HN 0.252 nan 8.290 nan 0.000 0.420 103 T N -2.154 112.397 114.554 -0.005 0.000 3.067 103 T HA 0.058 4.408 4.350 0.000 0.000 0.257 103 T C 0.964 175.626 174.700 -0.064 0.000 1.105 103 T CA -0.232 61.829 62.100 -0.065 0.000 1.104 103 T CB -0.206 68.593 68.868 -0.116 0.000 0.925 103 T HN 0.248 nan 8.240 nan 0.000 0.498 104 R N 1.830 122.314 120.500 -0.026 0.000 2.537 104 R HA 0.152 4.492 4.340 0.000 0.000 0.281 104 R C 0.050 176.333 176.300 -0.028 0.000 0.988 104 R CA 0.334 56.422 56.100 -0.021 0.000 1.077 104 R CB 0.228 30.526 30.300 -0.005 0.000 0.932 104 R HN 0.591 nan 8.270 nan 0.000 0.409 105 E N 2.357 122.540 120.200 -0.030 0.000 2.410 105 E HA 0.176 4.526 4.350 0.000 0.000 0.269 105 E C 0.138 176.727 176.600 -0.019 0.000 0.937 105 E CA -0.916 55.467 56.400 -0.029 0.000 0.793 105 E CB 1.017 30.692 29.700 -0.041 0.000 1.314 105 E HN 0.492 nan 8.360 nan 0.000 0.447 106 K N 0.471 120.861 120.400 -0.018 0.000 1.985 106 K HA 0.034 4.354 4.320 0.000 0.000 0.210 106 K C 0.956 177.549 176.600 -0.012 0.000 1.047 106 K CA 1.094 57.374 56.287 -0.013 0.000 0.932 106 K CB -1.239 31.253 32.500 -0.012 0.000 0.716 106 K HN 0.440 nan 8.250 nan 0.000 0.439 107 A N 2.195 125.007 122.820 -0.013 0.000 2.455 107 A HA 0.057 4.377 4.320 0.000 0.000 0.244 107 A C -0.210 177.370 177.584 -0.007 0.000 1.099 107 A CA -0.114 51.917 52.037 -0.009 0.000 0.786 107 A CB -0.118 18.876 19.000 -0.010 0.000 1.051 107 A HN 0.277 nan 8.150 nan 0.000 0.508 108 K N 0.772 121.171 120.400 -0.002 0.000 2.412 108 K HA 0.250 4.570 4.320 0.000 0.000 0.281 108 K C -0.053 176.552 176.600 0.008 0.000 1.027 108 K CA 0.538 56.825 56.287 -0.002 0.000 0.989 108 K CB 0.406 32.905 32.500 -0.002 0.000 0.935 108 K HN 0.713 nan 8.250 nan 0.000 0.475 109 Q N 0.783 120.586 119.800 0.004 0.000 2.458 109 Q HA 0.474 4.814 4.340 0.000 0.000 0.282 109 Q C -0.787 175.223 176.000 0.017 0.000 1.106 109 Q CA -1.203 54.611 55.803 0.018 0.000 0.814 109 Q CB 2.213 30.951 28.738 -0.000 0.000 1.425 109 Q HN 0.474 nan 8.270 nan 0.000 0.437 110 V N -1.927 118.017 119.914 0.049 0.000 2.973 110 V HA 0.810 4.930 4.120 0.000 0.000 0.314 110 V C -0.115 176.011 176.094 0.054 0.000 1.066 110 V CA -0.569 61.740 62.300 0.016 0.000 1.021 110 V CB 1.427 33.247 31.823 -0.005 0.000 1.076 110 V HN 0.925 nan 8.190 nan 0.000 0.462 111 T N -0.420 114.166 114.554 0.053 0.000 2.885 111 T HA 0.757 5.107 4.350 0.000 0.000 0.285 111 T C -0.717 174.072 174.700 0.149 0.000 1.019 111 T CA -0.704 61.462 62.100 0.110 0.000 1.010 111 T CB 1.596 70.519 68.868 0.091 0.000 1.022 111 T HN 0.834 nan 8.240 nan 0.000 0.466 112 V N 2.432 122.472 119.914 0.210 0.000 2.326 112 V HA 0.648 4.768 4.120 0.000 0.000 0.281 112 V C 0.851 177.023 176.094 0.130 0.000 1.015 112 V CA -0.207 62.205 62.300 0.187 0.000 0.823 112 V CB 0.048 32.014 31.823 0.239 0.000 1.009 112 V HN 1.601 nan 8.190 nan 0.000 0.436 113 A N 4.077 126.956 122.820 0.098 0.000 2.783 113 A HA 0.001 4.321 4.320 0.000 0.000 0.292 113 A C 1.792 179.421 177.584 0.074 0.000 1.495 113 A CA 1.376 53.455 52.037 0.070 0.000 0.787 113 A CB -1.525 17.496 19.000 0.035 0.000 1.017 113 A HN 2.547 nan 8.150 nan 0.000 0.516 114 G N -3.856 105.000 108.800 0.093 0.000 2.199 114 G HA2 -0.036 3.924 3.960 0.000 0.000 0.254 114 G HA3 -0.036 3.924 3.960 0.000 0.000 0.254 114 G C 0.362 175.321 174.900 0.099 0.000 0.982 114 G CA 0.450 45.601 45.100 0.085 0.000 0.632 114 G HN 1.864 nan 8.290 nan 0.000 0.529 115 V N 3.522 123.520 119.914 0.140 0.000 2.383 115 V HA 0.458 4.578 4.120 0.000 0.000 0.275 115 V C -1.420 174.800 176.094 0.210 0.000 1.036 115 V CA -1.584 60.829 62.300 0.189 0.000 0.889 115 V CB 1.495 33.485 31.823 0.278 0.000 0.985 115 V HN 0.228 nan 8.190 nan 0.000 0.459 116 P HA 0.051 nan 4.420 nan 0.000 0.267 116 P C -0.428 176.835 177.300 -0.062 0.000 1.205 116 P CA -0.137 62.989 63.100 0.043 0.000 0.765 116 P CB 0.685 32.387 31.700 0.004 0.000 0.828 117 M N 6.058 125.616 119.600 -0.069 0.000 2.162 117 M HA 0.321 4.801 4.480 0.000 0.000 0.356 117 M C -2.382 173.708 176.300 -0.351 0.000 1.303 117 M CA -2.268 52.834 55.300 -0.330 0.000 1.116 117 M CB 0.764 33.405 32.600 0.067 0.000 1.632 117 M HN 0.084 nan 8.290 nan 0.000 0.469 118 P HA -0.003 nan 4.420 nan 0.000 0.261 118 P C -0.045 177.153 177.300 -0.170 0.000 1.183 118 P CA 0.048 62.961 63.100 -0.312 0.000 0.761 118 P CB 0.393 31.891 31.700 -0.336 0.000 0.785 119 R N 3.268 123.707 120.500 -0.102 0.000 2.133 119 R HA -0.202 4.138 4.340 0.000 0.000 0.247 119 R C 1.198 177.454 176.300 -0.073 0.000 1.151 119 R CA 2.348 58.412 56.100 -0.059 0.000 0.971 119 R CB -0.943 29.330 30.300 -0.044 0.000 0.866 119 R HN 0.669 nan 8.270 nan 0.000 0.447 120 D N -0.788 119.563 120.400 -0.082 0.000 2.348 120 D HA -0.034 4.606 4.640 0.000 0.000 0.216 120 D C 1.377 177.622 176.300 -0.091 0.000 0.970 120 D CA 0.904 54.854 54.000 -0.083 0.000 0.889 120 D CB 0.045 40.804 40.800 -0.068 0.000 0.912 120 D HN 0.147 nan 8.370 nan 0.000 0.524 121 A N 0.421 123.191 122.820 -0.083 0.000 2.081 121 A HA -0.021 4.299 4.320 0.000 0.000 0.214 121 A C 1.999 179.547 177.584 -0.060 0.000 1.158 121 A CA 0.456 52.466 52.037 -0.045 0.000 0.724 121 A CB -0.363 18.637 19.000 0.000 0.000 0.826 121 A HN 0.166 nan 8.150 nan 0.000 0.463 122 E N 0.201 120.354 120.200 -0.079 0.000 2.049 122 E HA -0.165 4.185 4.350 0.000 0.000 0.198 122 E C -0.806 175.590 176.600 -0.340 0.000 1.007 122 E CA 1.644 57.954 56.400 -0.150 0.000 0.809 122 E CB -0.767 28.832 29.700 -0.168 0.000 0.749 122 E HN 0.527 nan 8.360 nan 0.000 0.450 123 P HA -0.022 nan 4.420 nan 0.000 0.249 123 P C 0.233 177.102 177.300 -0.719 0.000 1.241 123 P CA 0.697 63.526 63.100 -0.450 0.000 0.781 123 P CB 0.292 31.818 31.700 -0.289 0.000 1.088 124 R N -0.881 119.253 120.500 -0.611 0.000 2.397 124 R HA 0.136 4.476 4.340 0.000 0.000 0.241 124 R C 0.126 176.095 176.300 -0.551 0.000 0.914 124 R CA -0.256 55.506 56.100 -0.564 0.000 1.071 124 R CB -0.574 29.603 30.300 -0.207 0.000 1.116 124 R HN 0.350 nan 8.270 nan 0.000 0.524 125 H N -0.607 118.428 119.070 -0.058 0.000 4.618 125 H HA -0.203 4.353 4.556 0.000 0.000 0.257 125 H C -0.802 174.667 175.328 0.235 0.000 0.545 125 H CA 0.295 56.354 56.048 0.019 0.000 0.688 125 H CB -0.692 28.925 29.762 -0.240 0.000 0.965 125 H HN 0.086 nan 8.280 nan 0.000 0.303 126 L N 1.647 123.172 121.223 0.504 0.000 2.409 126 L HA 0.538 4.878 4.340 0.000 0.000 0.272 126 L C -1.276 175.769 176.870 0.293 0.000 0.980 126 L CA -0.741 54.326 54.840 0.378 0.000 0.826 126 L CB 1.579 43.808 42.059 0.284 0.000 1.268 126 L HN 0.504 nan 8.230 nan 0.000 0.407 127 L N 6.112 127.372 121.223 0.062 0.000 2.305 127 L HA 0.618 4.958 4.340 0.000 0.000 0.284 127 L C -1.088 175.712 176.870 -0.116 0.000 1.013 127 L CA -0.246 54.426 54.840 -0.281 0.000 0.819 127 L CB 1.712 43.476 42.059 -0.492 0.000 1.227 127 L HN 0.406 nan 8.230 nan 0.000 0.417 128 V N 5.766 125.625 119.914 -0.091 0.000 2.288 128 V HA 0.329 4.449 4.120 0.000 0.000 0.266 128 V C 0.199 176.270 176.094 -0.039 0.000 1.048 128 V CA -0.521 61.762 62.300 -0.027 0.000 0.842 128 V CB 0.551 32.390 31.823 0.027 0.000 1.064 128 V HN 0.811 nan 8.190 nan 0.000 0.472 129 N N 3.604 122.281 118.700 -0.038 0.000 2.422 129 N HA 0.674 5.414 4.740 0.000 0.000 0.266 129 N C -0.071 175.439 175.510 -0.000 0.000 1.007 129 N CA -0.010 53.022 53.050 -0.030 0.000 0.941 129 N CB 1.369 39.831 38.487 -0.041 0.000 1.115 129 N HN 0.831 nan 8.380 nan 0.000 0.492 130 G N 1.123 109.927 108.800 0.006 0.000 2.596 130 G HA2 0.492 4.452 3.960 0.000 0.000 0.296 130 G HA3 0.492 4.452 3.960 0.000 0.000 0.296 130 G C -1.117 173.795 174.900 0.019 0.000 1.513 130 G CA -0.527 44.584 45.100 0.018 0.000 0.851 130 G HN 0.724 nan 8.290 nan 0.000 0.548 131 A N 0.554 123.387 122.820 0.021 0.000 2.364 131 A HA 0.679 4.999 4.320 0.000 0.000 0.258 131 A C 1.088 178.685 177.584 0.023 0.000 1.131 131 A CA 0.493 52.542 52.037 0.020 0.000 0.800 131 A CB -0.209 18.802 19.000 0.019 0.000 1.086 131 A HN 1.240 nan 8.150 nan 0.000 0.508 132 T N 0.213 114.781 114.554 0.022 0.000 2.940 132 T HA 0.426 4.776 4.350 0.000 0.000 0.309 132 T C 1.436 176.148 174.700 0.020 0.000 1.056 132 T CA 1.164 63.277 62.100 0.023 0.000 1.137 132 T CB 0.554 69.434 68.868 0.021 0.000 0.976 132 T HN 2.078 nan 8.240 nan 0.000 0.547 133 G N 2.202 111.014 108.800 0.020 0.000 2.184 133 G HA2 -0.351 3.609 3.960 0.000 0.000 0.264 133 G HA3 -0.351 3.609 3.960 0.000 0.000 0.264 133 G C 1.028 175.939 174.900 0.018 0.000 0.975 133 G CA 0.838 45.948 45.100 0.017 0.000 0.642 133 G HN 1.047 nan 8.290 nan 0.000 0.536 134 T N -2.218 112.349 114.554 0.021 0.000 3.085 134 T HA 0.406 4.756 4.350 0.000 0.000 0.263 134 T C 2.226 176.940 174.700 0.023 0.000 1.127 134 T CA 1.677 63.790 62.100 0.022 0.000 1.103 134 T CB 0.218 69.101 68.868 0.026 0.000 0.921 134 T HN 2.211 nan 8.240 nan 0.000 0.510 135 G N 1.132 109.949 108.800 0.027 0.000 2.159 135 G HA2 -0.198 3.762 3.960 0.000 0.000 0.170 135 G HA3 -0.198 3.762 3.960 0.000 0.000 0.170 135 G C 0.741 175.667 174.900 0.043 0.000 1.007 135 G CA 0.146 45.265 45.100 0.033 0.000 0.672 135 G HN 0.475 nan 8.290 nan 0.000 0.507 136 K N 1.039 121.465 120.400 0.044 0.000 2.044 136 K HA -0.141 4.179 4.320 0.000 0.000 0.210 136 K C 2.898 179.539 176.600 0.070 0.000 1.049 136 K CA 2.054 58.375 56.287 0.057 0.000 0.927 136 K CB -0.287 32.245 32.500 0.054 0.000 0.713 136 K HN 0.620 nan 8.250 nan 0.000 0.443 137 S N 0.862 116.597 115.700 0.059 0.000 2.382 137 S HA -0.111 4.359 4.470 0.000 0.000 0.228 137 S C 2.206 176.841 174.600 0.058 0.000 1.027 137 S CA 1.221 59.454 58.200 0.055 0.000 0.991 137 S CB -0.685 62.534 63.200 0.032 0.000 0.823 137 S HN 0.034 nan 8.310 nan 0.000 0.469 138 V N 2.091 122.043 119.914 0.062 0.000 2.295 138 V HA -0.116 4.004 4.120 0.000 0.000 0.246 138 V C 2.491 178.642 176.094 0.096 0.000 1.049 138 V CA 1.939 64.288 62.300 0.082 0.000 1.024 138 V CB -0.821 31.045 31.823 0.072 0.000 0.648 138 V HN 0.514 nan 8.190 nan 0.000 0.447 139 L N -0.931 120.344 121.223 0.087 0.000 2.017 139 L HA -0.199 4.141 4.340 0.000 0.000 0.208 139 L C 2.319 179.259 176.870 0.116 0.000 1.073 139 L CA 1.656 56.555 54.840 0.098 0.000 0.745 139 L CB -0.161 41.950 42.059 0.087 0.000 0.894 139 L HN 0.228 nan 8.230 nan 0.000 0.432 140 L N -0.265 121.033 121.223 0.124 0.000 2.083 140 L HA -0.192 4.148 4.340 0.000 0.000 0.209 140 L C 2.692 179.555 176.870 -0.012 0.000 1.083 140 L CA 1.573 56.508 54.840 0.159 0.000 0.752 140 L CB -0.697 41.485 42.059 0.205 0.000 0.899 140 L HN 0.217 nan 8.230 nan 0.000 0.433 141 R N -0.331 120.168 120.500 -0.002 0.000 2.081 141 R HA -0.210 4.130 4.340 0.000 0.000 0.235 141 R C 2.301 178.574 176.300 -0.044 0.000 1.131 141 R CA 1.695 57.772 56.100 -0.039 0.000 0.960 141 R CB -0.144 30.167 30.300 0.018 0.000 0.856 141 R HN 0.496 nan 8.270 nan 0.000 0.436 142 E N 0.427 120.681 120.200 0.090 0.000 2.077 142 E HA -0.225 4.125 4.350 0.000 0.000 0.193 142 E C 2.065 178.704 176.600 0.065 0.000 0.989 142 E CA 1.116 57.623 56.400 0.179 0.000 0.800 142 E CB -0.142 29.671 29.700 0.189 0.000 0.746 142 E HN 0.383 nan 8.360 nan 0.000 0.452 143 L N 0.433 121.668 121.223 0.019 0.000 2.017 143 L HA -0.190 4.150 4.340 0.000 0.000 0.208 143 L C 2.661 179.389 176.870 -0.236 0.000 1.073 143 L CA 1.371 56.194 54.840 -0.029 0.000 0.745 143 L CB -0.424 41.727 42.059 0.153 0.000 0.894 143 L HN 0.299 nan 8.230 nan 0.000 0.432 144 A N -0.923 121.628 122.820 -0.448 0.000 1.883 144 A HA -0.325 3.995 4.320 0.000 0.000 0.217 144 A C 2.135 179.344 177.584 -0.626 0.000 1.186 144 A CA 1.921 53.486 52.037 -0.787 0.000 0.624 144 A CB -1.089 17.256 19.000 -1.092 0.000 0.822 144 A HN 0.548 nan 8.150 nan 0.000 0.444 145 Y N 2.032 121.870 120.300 -0.770 0.000 2.053 145 Y HA -0.284 4.266 4.550 0.000 0.000 0.277 145 Y C 2.905 178.589 175.900 -0.360 0.000 1.159 145 Y CA 2.712 60.367 58.100 -0.742 0.000 1.125 145 Y CB -1.166 37.022 38.460 -0.454 0.000 0.969 145 Y HN 0.450 nan 8.280 nan 0.000 0.492 146 T N -2.527 111.750 114.554 -0.461 0.000 2.929 146 T HA -0.072 4.278 4.350 0.000 0.000 0.271 146 T C 2.151 176.644 174.700 -0.345 0.000 1.085 146 T CA 1.183 63.018 62.100 -0.443 0.000 1.125 146 T CB -1.212 67.534 68.868 -0.204 0.000 0.874 146 T HN 0.426 nan 8.240 nan 0.000 0.494 147 G N 1.057 109.631 108.800 -0.376 0.000 2.430 147 G HA2 0.110 4.070 3.960 0.000 0.000 0.216 147 G HA3 0.110 4.070 3.960 0.000 0.000 0.216 147 G C 1.478 176.240 174.900 -0.231 0.000 1.146 147 G CA 0.283 45.181 45.100 -0.338 0.000 0.793 147 G HN 0.513 nan 8.290 nan 0.000 0.537 148 L N 0.053 121.096 121.223 -0.299 0.000 2.072 148 L HA 0.082 4.422 4.340 0.000 0.000 0.205 148 L C 2.784 179.554 176.870 -0.166 0.000 1.079 148 L CA 0.420 55.141 54.840 -0.199 0.000 0.752 148 L CB -0.329 41.592 42.059 -0.230 0.000 0.906 148 L HN 0.154 nan 8.230 nan 0.000 0.436 149 L N -0.388 120.665 121.223 -0.283 0.000 2.187 149 L HA -0.222 4.118 4.340 0.000 0.000 0.213 149 L C 2.595 179.391 176.870 -0.123 0.000 1.100 149 L CA 1.149 55.852 54.840 -0.228 0.000 0.765 149 L CB -0.465 41.375 42.059 -0.365 0.000 0.904 149 L HN 0.270 nan 8.230 nan 0.000 0.437 150 R N 0.191 120.627 120.500 -0.106 0.000 2.297 150 R HA 0.029 4.369 4.340 0.000 0.000 0.197 150 R C 1.106 177.404 176.300 -0.004 0.000 0.943 150 R CA 0.658 56.735 56.100 -0.038 0.000 1.038 150 R CB 0.200 30.495 30.300 -0.007 0.000 0.957 150 R HN 0.360 nan 8.270 nan 0.000 0.484 151 G N 1.328 110.121 108.800 -0.011 0.000 2.137 151 G HA2 -0.236 3.724 3.960 0.000 0.000 0.237 151 G HA3 -0.236 3.724 3.960 0.000 0.000 0.237 151 G C -0.847 174.083 174.900 0.049 0.000 1.002 151 G CA 0.250 45.361 45.100 0.017 0.000 0.702 151 G HN 0.425 nan 8.290 nan 0.000 0.515 152 D N -0.060 120.387 120.400 0.078 0.000 2.302 152 D HA 0.532 5.172 4.640 0.000 0.000 0.248 152 D C 1.081 177.482 176.300 0.168 0.000 1.094 152 D CA -0.066 54.038 54.000 0.173 0.000 0.897 152 D CB 0.593 41.608 40.800 0.359 0.000 1.200 152 D HN 0.338 nan 8.370 nan 0.000 0.429 153 R N 1.717 122.321 120.500 0.174 0.000 2.500 153 R HA 0.688 5.028 4.340 0.000 0.000 0.275 153 R C -0.043 176.422 176.300 0.274 0.000 1.051 153 R CA -0.474 55.716 56.100 0.149 0.000 1.088 153 R CB 0.846 31.158 30.300 0.020 0.000 1.063 153 R HN 0.548 nan 8.270 nan 0.000 0.511 154 M N -1.204 118.562 119.600 0.275 0.000 2.562 154 M HA 0.382 4.862 4.480 0.000 0.000 0.281 154 M C -1.573 174.897 176.300 0.284 0.000 1.195 154 M CA -1.147 54.364 55.300 0.351 0.000 0.888 154 M CB 1.805 34.643 32.600 0.397 0.000 1.731 154 M HN 0.165 nan 8.290 nan 0.000 0.493 155 V N 2.865 122.959 119.914 0.300 0.000 2.435 155 V HA 0.634 4.754 4.120 0.000 0.000 0.290 155 V C -0.475 175.712 176.094 0.155 0.000 1.030 155 V CA -0.440 61.955 62.300 0.159 0.000 0.881 155 V CB 1.818 33.757 31.823 0.193 0.000 0.983 155 V HN 0.739 nan 8.190 nan 0.000 0.445 156 I N 4.425 124.987 120.570 -0.014 0.000 2.447 156 I HA 0.355 4.525 4.170 0.000 0.000 0.287 156 I C -0.477 175.722 176.117 0.137 0.000 1.023 156 I CA -0.863 60.481 61.300 0.072 0.000 1.083 156 I CB 2.235 40.157 38.000 -0.130 0.000 1.245 156 I HN 0.256 nan 8.210 nan 0.000 0.434 157 V N 4.611 124.672 119.914 0.245 0.000 2.370 157 V HA 0.077 4.197 4.120 0.000 0.000 0.257 157 V C -0.235 176.031 176.094 0.288 0.000 1.064 157 V CA 0.100 62.609 62.300 0.349 0.000 0.975 157 V CB 0.518 32.566 31.823 0.376 0.000 1.067 157 V HN 0.629 nan 8.190 nan 0.000 0.485 158 D N 7.308 127.826 120.400 0.196 0.000 2.472 158 D HA 0.377 5.017 4.640 0.000 0.000 0.234 158 D C -2.716 173.316 176.300 -0.447 0.000 1.088 158 D CA -2.148 51.840 54.000 -0.019 0.000 0.882 158 D CB 1.710 42.590 40.800 0.133 0.000 1.037 158 D HN 0.255 nan 8.370 nan 0.000 0.520 159 P HA 0.144 nan 4.420 nan 0.000 0.267 159 P C -0.229 176.654 177.300 -0.694 0.000 1.209 159 P CA -0.049 62.310 63.100 -1.234 0.000 0.763 159 P CB 0.436 31.750 31.700 -0.642 0.000 0.816 160 N N 2.578 120.838 118.700 -0.733 0.000 2.753 160 N HA -0.196 4.544 4.740 0.000 0.000 0.251 160 N C 0.892 176.250 175.510 -0.254 0.000 1.097 160 N CA 1.566 54.375 53.050 -0.400 0.000 0.786 160 N CB -1.875 36.437 38.487 -0.292 0.000 1.137 160 N HN 0.852 nan 8.380 nan 0.000 0.566 161 G N 0.514 109.170 108.800 -0.241 0.000 2.258 161 G HA2 -0.387 3.573 3.960 0.000 0.000 0.274 161 G HA3 -0.387 3.573 3.960 0.000 0.000 0.274 161 G C 0.666 175.470 174.900 -0.159 0.000 1.021 161 G CA 1.410 46.426 45.100 -0.141 0.000 0.798 161 G HN 0.650 nan 8.290 nan 0.000 0.507 162 D N -0.302 119.997 120.400 -0.167 0.000 2.092 162 D HA -0.117 4.523 4.640 0.000 0.000 0.193 162 D C 2.533 178.706 176.300 -0.212 0.000 0.994 162 D CA 1.807 55.704 54.000 -0.173 0.000 0.828 162 D CB -0.151 40.559 40.800 -0.149 0.000 0.963 162 D HN 0.450 nan 8.370 nan 0.000 0.450 163 M N -0.495 119.034 119.600 -0.118 0.000 2.319 163 M HA -0.033 4.447 4.480 0.000 0.000 0.265 163 M C 2.068 178.310 176.300 -0.097 0.000 1.068 163 M CA 0.450 55.717 55.300 -0.056 0.000 1.118 163 M CB -0.214 32.523 32.600 0.228 0.000 1.395 163 M HN 0.218 nan 8.290 nan 0.000 0.435 164 L N 0.648 121.715 121.223 -0.260 0.000 2.056 164 L HA -0.143 4.197 4.340 0.000 0.000 0.207 164 L C 2.608 179.151 176.870 -0.545 0.000 1.078 164 L CA 2.257 56.587 54.840 -0.852 0.000 0.749 164 L CB -0.747 40.917 42.059 -0.659 0.000 0.901 164 L HN 0.327 nan 8.230 nan 0.000 0.433 165 S N -1.398 114.084 115.700 -0.364 0.000 2.423 165 S HA -0.121 4.349 4.470 0.000 0.000 0.231 165 S C 1.864 176.266 174.600 -0.329 0.000 1.014 165 S CA 0.801 58.828 58.200 -0.289 0.000 0.965 165 S CB -0.417 62.654 63.200 -0.215 0.000 0.785 165 S HN 0.474 nan 8.310 nan 0.000 0.495 166 K N 0.198 120.293 120.400 -0.508 0.000 2.202 166 K HA 0.247 4.567 4.320 0.000 0.000 0.201 166 K C 0.774 176.969 176.600 -0.675 0.000 1.051 166 K CA 0.667 56.518 56.287 -0.727 0.000 0.977 166 K CB -0.271 31.442 32.500 -1.312 0.000 0.792 166 K HN 0.556 nan 8.250 nan 0.000 0.469 167 F N 0.606 120.494 119.950 -0.105 0.000 2.706 167 F HA 0.307 4.834 4.527 0.000 0.000 0.313 167 F C 1.172 176.986 175.800 0.023 0.000 1.096 167 F CA -1.123 56.880 58.000 0.005 0.000 1.219 167 F CB -0.342 38.707 39.000 0.082 0.000 1.051 167 F HN -0.179 nan 8.300 nan 0.000 0.568 168 G N 2.168 110.895 108.800 -0.122 0.000 2.298 168 G HA2 0.325 4.285 3.960 0.000 0.000 0.263 168 G HA3 0.325 4.285 3.960 0.000 0.000 0.263 168 G C 0.273 175.151 174.900 -0.037 0.000 1.229 168 G CA -0.333 44.617 45.100 -0.251 0.000 0.976 168 G HN 0.167 nan 8.290 nan 0.000 0.459 169 R N 1.588 122.136 120.500 0.080 0.000 2.608 169 R HA 0.229 4.569 4.340 0.000 0.000 0.255 169 R C 0.905 177.234 176.300 0.049 0.000 1.086 169 R CA -0.910 55.237 56.100 0.078 0.000 1.125 169 R CB 1.017 31.391 30.300 0.123 0.000 1.193 169 R HN 0.548 nan 8.270 nan 0.000 0.553 170 D N 1.240 121.666 120.400 0.043 0.000 2.178 170 D HA -0.128 4.512 4.640 0.000 0.000 0.202 170 D C 1.013 177.343 176.300 0.050 0.000 0.974 170 D CA 1.271 55.288 54.000 0.029 0.000 0.841 170 D CB 0.417 41.232 40.800 0.025 0.000 0.953 170 D HN 0.451 nan 8.370 nan 0.000 0.478 171 K N 0.215 120.664 120.400 0.081 0.000 2.487 171 K HA 0.032 4.352 4.320 0.000 0.000 0.192 171 K C 0.146 176.838 176.600 0.153 0.000 1.027 171 K CA 0.021 56.372 56.287 0.107 0.000 1.054 171 K CB 0.355 32.922 32.500 0.111 0.000 0.824 171 K HN -0.089 nan 8.250 nan 0.000 0.510 172 D N 1.411 121.905 120.400 0.158 0.000 2.344 172 D HA 0.167 4.807 4.640 0.000 0.000 0.244 172 D C 0.234 176.604 176.300 0.117 0.000 1.134 172 D CA -0.277 53.857 54.000 0.223 0.000 0.930 172 D CB 0.945 41.953 40.800 0.348 0.000 1.175 172 D HN -0.041 nan 8.370 nan 0.000 0.437 173 I N 1.166 121.781 120.570 0.075 0.000 2.498 173 I HA 0.401 4.571 4.170 0.000 0.000 0.301 173 I C 0.422 176.445 176.117 -0.156 0.000 0.984 173 I CA -0.534 60.652 61.300 -0.190 0.000 1.204 173 I CB 0.998 38.678 38.000 -0.534 0.000 1.362 173 I HN 0.182 nan 8.210 nan 0.000 0.471 174 I N 5.603 126.009 120.570 -0.273 0.000 2.533 174 I HA 0.398 4.568 4.170 0.000 0.000 0.290 174 I C -0.881 175.026 176.117 -0.350 0.000 1.056 174 I CA -0.533 60.647 61.300 -0.201 0.000 1.057 174 I CB 2.589 40.517 38.000 -0.120 0.000 1.240 174 I HN 0.220 nan 8.210 nan 0.000 0.423 175 L N 6.274 127.268 121.223 -0.381 0.000 2.372 175 L HA 0.542 4.882 4.340 0.000 0.000 0.273 175 L C -0.850 175.896 176.870 -0.205 0.000 0.989 175 L CA -0.345 54.132 54.840 -0.604 0.000 0.841 175 L CB 1.425 42.646 42.059 -1.396 0.000 1.225 175 L HN 0.560 nan 8.230 nan 0.000 0.414 176 N N 5.305 124.048 118.700 0.071 0.000 2.839 176 N HA 0.157 4.897 4.740 0.000 0.000 0.258 176 N C -2.376 173.309 175.510 0.291 0.000 1.150 176 N CA -0.992 52.255 53.050 0.327 0.000 0.957 176 N CB 2.406 41.080 38.487 0.311 0.000 1.560 176 N HN 0.098 nan 8.380 nan 0.000 0.588 177 P HA -0.108 nan 4.420 nan 0.000 0.220 177 P C 0.239 177.415 177.300 -0.208 0.000 1.144 177 P CA 1.336 64.437 63.100 0.002 0.000 0.800 177 P CB 0.107 31.721 31.700 -0.144 0.000 0.772 178 Y N -1.174 119.271 120.300 0.242 0.000 2.555 178 Y HA 0.295 4.845 4.550 0.000 0.000 0.259 178 Y C 0.844 176.936 175.900 0.319 0.000 1.179 178 Y CA -0.709 57.559 58.100 0.278 0.000 1.230 178 Y CB 0.102 38.752 38.460 0.316 0.000 1.146 178 Y HN -0.068 nan 8.280 nan 0.000 0.526 179 D N 0.727 121.312 120.400 0.309 0.000 2.217 179 D HA 0.051 4.691 4.640 0.000 0.000 0.243 179 D C 0.675 176.948 176.300 -0.045 0.000 1.054 179 D CA -0.142 53.887 54.000 0.047 0.000 0.838 179 D CB 1.760 42.639 40.800 0.131 0.000 1.162 179 D HN 0.221 nan 8.370 nan 0.000 0.472 180 Q N 2.821 122.535 119.800 -0.142 0.000 2.226 180 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 180 Q C 1.219 177.170 176.000 -0.081 0.000 0.975 180 Q CA 1.201 56.945 55.803 -0.098 0.000 0.866 180 Q CB 0.309 28.975 28.738 -0.119 0.000 0.915 180 Q HN 0.405 nan 8.270 nan 0.000 0.440 181 R N -0.352 120.091 120.500 -0.096 0.000 2.299 181 R HA 0.059 4.399 4.340 0.000 0.000 0.197 181 R C 0.824 177.067 176.300 -0.094 0.000 0.971 181 R CA 0.279 56.325 56.100 -0.090 0.000 1.030 181 R CB 0.029 30.267 30.300 -0.102 0.000 0.932 181 R HN 0.037 nan 8.270 nan 0.000 0.477 182 T N 1.275 115.783 114.554 -0.076 0.000 2.903 182 T HA 0.011 4.361 4.350 0.000 0.000 0.314 182 T C 0.257 174.886 174.700 -0.119 0.000 1.078 182 T CA -0.059 61.980 62.100 -0.101 0.000 1.114 182 T CB 0.490 69.340 68.868 -0.031 0.000 0.987 182 T HN -0.070 nan 8.240 nan 0.000 0.548 183 K N 2.356 122.624 120.400 -0.220 0.000 2.107 183 K HA 0.424 4.744 4.320 0.000 0.000 0.251 183 K C 0.594 177.198 176.600 0.007 0.000 1.012 183 K CA -0.462 55.712 56.287 -0.188 0.000 0.920 183 K CB 0.721 32.893 32.500 -0.547 0.000 1.033 183 K HN 0.765 nan 8.250 nan 0.000 0.478 184 G N 0.194 109.068 108.800 0.124 0.000 2.395 184 G HA2 0.393 4.353 3.960 0.000 0.000 0.283 184 G HA3 0.393 4.353 3.960 0.000 0.000 0.283 184 G C -1.440 173.704 174.900 0.408 0.000 1.178 184 G CA -0.379 44.850 45.100 0.216 0.000 0.837 184 G HN 0.618 nan 8.290 nan 0.000 0.518 185 W N 1.433 122.855 121.300 0.203 0.000 3.153 185 W HA 0.565 5.225 4.660 0.000 0.000 0.316 185 W C -0.725 175.972 176.519 0.296 0.000 1.255 185 W CA -0.547 56.963 57.345 0.275 0.000 1.192 185 W CB 1.683 31.364 29.460 0.367 0.000 1.400 185 W HN 1.013 nan 8.180 nan 0.000 0.568 186 S N 3.126 118.341 115.700 -0.808 0.000 2.537 186 S HA 0.317 4.787 4.470 0.000 0.000 0.271 186 S C 0.002 173.715 174.600 -1.479 0.000 1.148 186 S CA -0.325 57.374 58.200 -0.835 0.000 0.868 186 S CB 0.349 63.469 63.200 -0.134 0.000 1.115 186 S HN 1.137 nan 8.310 nan 0.000 0.461 187 F N 1.275 120.505 119.950 -1.200 0.000 2.373 187 F HA 0.174 4.701 4.527 0.000 0.000 0.300 187 F C 1.172 176.677 175.800 -0.492 0.000 1.080 187 F CA 0.432 58.011 58.000 -0.702 0.000 1.417 187 F CB -0.941 37.907 39.000 -0.252 0.000 1.070 187 F HN 0.503 nan 8.300 nan 0.000 0.546 188 F N 1.758 121.017 119.950 -1.153 0.000 2.202 188 F HA -0.201 4.326 4.527 0.000 0.000 0.301 188 F C 1.978 177.440 175.800 -0.565 0.000 1.082 188 F CA 1.602 59.089 58.000 -0.856 0.000 1.313 188 F CB -0.980 37.679 39.000 -0.569 0.000 1.024 188 F HN 0.048 nan 8.300 nan 0.000 0.495 189 N N 0.116 118.618 118.700 -0.331 0.000 2.519 189 N HA -0.120 4.620 4.740 0.000 0.000 0.186 189 N C 1.266 176.624 175.510 -0.253 0.000 1.062 189 N CA 0.828 53.731 53.050 -0.244 0.000 0.910 189 N CB -0.307 38.055 38.487 -0.208 0.000 0.958 189 N HN 0.362 nan 8.380 nan 0.000 0.445 190 E N 0.006 119.983 120.200 -0.371 0.000 2.476 190 E HA 0.116 4.466 4.350 0.000 0.000 0.199 190 E C 0.258 176.554 176.600 -0.506 0.000 1.021 190 E CA -0.121 55.989 56.400 -0.483 0.000 0.907 190 E CB 0.650 29.829 29.700 -0.869 0.000 0.974 190 E HN 0.217 nan 8.360 nan 0.000 0.489 191 I N 2.440 122.720 120.570 -0.484 0.000 2.436 191 I HA 0.076 4.246 4.170 0.000 0.000 0.289 191 I C 1.410 177.317 176.117 -0.351 0.000 1.083 191 I CA 0.254 61.237 61.300 -0.528 0.000 1.372 191 I CB 0.545 37.996 38.000 -0.915 0.000 1.408 191 I HN -0.101 nan 8.210 nan 0.000 0.516 192 R N 4.054 124.381 120.500 -0.290 0.000 2.125 192 R HA 0.266 4.606 4.340 0.000 0.000 0.195 192 R C 0.361 176.555 176.300 -0.178 0.000 1.138 192 R CA 0.269 56.257 56.100 -0.187 0.000 1.123 192 R CB 0.085 30.306 30.300 -0.130 0.000 1.049 192 R HN 0.560 nan 8.270 nan 0.000 0.503 193 N N 0.961 119.507 118.700 -0.258 0.000 2.518 193 N HA 0.035 4.775 4.740 0.000 0.000 0.284 193 N C 0.221 175.619 175.510 -0.187 0.000 1.230 193 N CA -0.296 52.643 53.050 -0.184 0.000 0.941 193 N CB 1.190 39.568 38.487 -0.183 0.000 1.219 193 N HN -0.050 nan 8.380 nan 0.000 0.560 194 D N -0.296 120.123 120.400 0.032 0.000 2.178 194 D HA -0.164 4.476 4.640 0.000 0.000 0.202 194 D C 1.628 178.068 176.300 0.233 0.000 0.974 194 D CA 1.282 55.408 54.000 0.210 0.000 0.841 194 D CB -0.016 40.931 40.800 0.245 0.000 0.953 194 D HN 0.646 nan 8.370 nan 0.000 0.478 195 Y N -0.981 119.394 120.300 0.125 0.000 2.616 195 Y HA 0.137 4.687 4.550 0.000 0.000 0.296 195 Y C 1.184 177.137 175.900 0.088 0.000 1.154 195 Y CA 0.403 58.569 58.100 0.110 0.000 1.325 195 Y CB -0.377 38.119 38.460 0.061 0.000 1.007 195 Y HN -0.159 nan 8.280 nan 0.000 0.542 196 D N 0.253 120.423 120.400 -0.384 0.000 2.312 196 D HA -0.131 4.509 4.640 0.000 0.000 0.211 196 D C 1.231 177.542 176.300 0.019 0.000 0.964 196 D CA 0.954 54.807 54.000 -0.245 0.000 0.877 196 D CB -0.441 40.198 40.800 -0.269 0.000 0.924 196 D HN 0.573 nan 8.370 nan 0.000 0.515 197 W N 1.195 122.567 121.300 0.119 0.000 2.354 197 W HA -0.184 4.476 4.660 0.000 0.000 0.315 197 W C 2.682 179.281 176.519 0.132 0.000 1.206 197 W CA 0.507 57.949 57.345 0.162 0.000 1.290 197 W CB -0.323 29.211 29.460 0.123 0.000 1.152 197 W HN -0.037 nan 8.180 nan 0.000 0.489 198 Q N 1.123 121.118 119.800 0.324 0.000 2.119 198 Q HA -0.160 4.180 4.340 0.000 0.000 0.201 198 Q C 2.170 178.226 176.000 0.094 0.000 0.972 198 Q CA 1.748 57.663 55.803 0.186 0.000 0.847 198 Q CB -0.525 28.303 28.738 0.150 0.000 0.903 198 Q HN 0.207 nan 8.270 nan 0.000 0.433 199 R N -1.198 119.328 120.500 0.043 0.000 2.096 199 R HA -0.207 4.133 4.340 0.000 0.000 0.240 199 R C 1.330 177.433 176.300 -0.328 0.000 1.139 199 R CA 1.964 57.964 56.100 -0.166 0.000 0.952 199 R CB -0.294 29.840 30.300 -0.277 0.000 0.854 199 R HN 0.403 nan 8.270 nan 0.000 0.436 200 Y N -0.953 119.410 120.300 0.106 0.000 2.500 200 Y HA 0.257 4.807 4.550 0.000 0.000 0.270 200 Y C 1.993 177.903 175.900 0.016 0.000 1.134 200 Y CA 0.361 58.528 58.100 0.112 0.000 1.293 200 Y CB 0.144 38.718 38.460 0.190 0.000 1.063 200 Y HN 0.194 nan 8.280 nan 0.000 0.534 201 A N -0.363 122.514 122.820 0.095 0.000 2.014 201 A HA -0.090 4.230 4.320 0.000 0.000 0.218 201 A C 1.934 179.503 177.584 -0.026 0.000 1.163 201 A CA 1.088 53.108 52.037 -0.028 0.000 0.652 201 A CB -0.601 18.428 19.000 0.048 0.000 0.808 201 A HN 0.318 nan 8.150 nan 0.000 0.449 202 L N -0.109 121.117 121.223 0.005 0.000 2.275 202 L HA -0.016 4.324 4.340 0.000 0.000 0.215 202 L C 2.451 179.330 176.870 0.015 0.000 1.119 202 L CA 1.761 56.601 54.840 -0.000 0.000 0.790 202 L CB -0.850 41.203 42.059 -0.011 0.000 0.919 202 L HN 0.329 nan 8.230 nan 0.000 0.443 203 S N -1.603 114.128 115.700 0.051 0.000 2.388 203 S HA -0.041 4.429 4.470 0.000 0.000 0.223 203 S C 1.998 176.646 174.600 0.079 0.000 1.034 203 S CA 0.830 59.098 58.200 0.113 0.000 0.963 203 S CB 0.035 63.396 63.200 0.269 0.000 0.827 203 S HN 0.209 nan 8.310 nan 0.000 0.481 204 V N 1.519 121.433 119.914 -0.001 0.000 2.358 204 V HA -0.006 4.114 4.120 0.000 0.000 0.246 204 V C 0.765 176.809 176.094 -0.083 0.000 1.047 204 V CA 1.009 63.241 62.300 -0.113 0.000 1.035 204 V CB -0.404 31.149 31.823 -0.450 0.000 0.658 204 V HN 0.274 nan 8.190 nan 0.000 0.452 205 V N 3.322 123.195 119.914 -0.068 0.000 2.239 205 V HA 0.312 4.432 4.120 0.000 0.000 0.267 205 V C -2.099 173.987 176.094 -0.014 0.000 1.056 205 V CA -1.739 60.543 62.300 -0.030 0.000 0.830 205 V CB 0.715 32.525 31.823 -0.021 0.000 1.090 205 V HN 0.319 nan 8.190 nan 0.000 0.459 206 P HA 0.132 nan 4.420 nan 0.000 0.271 206 P C -0.113 177.164 177.300 -0.038 0.000 1.244 206 P CA -0.476 62.610 63.100 -0.024 0.000 0.793 206 P CB 0.758 32.437 31.700 -0.036 0.000 0.984 207 R N -0.005 120.460 120.500 -0.058 0.000 2.640 207 R HA 0.176 4.516 4.340 0.000 0.000 0.270 207 R C 1.072 177.319 176.300 -0.089 0.000 1.024 207 R CA 0.381 56.438 56.100 -0.071 0.000 1.085 207 R CB -0.840 29.412 30.300 -0.079 0.000 0.963 207 R HN 0.631 nan 8.270 nan 0.000 0.426 208 G N 1.249 109.999 108.800 -0.083 0.000 2.483 208 G HA2 -0.010 3.950 3.960 0.000 0.000 0.248 208 G HA3 -0.010 3.950 3.960 0.000 0.000 0.248 208 G C 0.879 175.712 174.900 -0.112 0.000 1.248 208 G CA -0.403 44.643 45.100 -0.090 0.000 0.838 208 G HN 0.644 nan 8.290 nan 0.000 0.566 209 K N -0.130 120.209 120.400 -0.101 0.000 2.032 209 K HA -0.084 4.236 4.320 0.000 0.000 0.209 209 K C 1.513 178.053 176.600 -0.100 0.000 1.048 209 K CA 1.655 57.883 56.287 -0.098 0.000 0.927 209 K CB -0.178 32.280 32.500 -0.070 0.000 0.712 209 K HN 0.646 nan 8.250 nan 0.000 0.441 210 T N -2.252 112.224 114.554 -0.130 0.000 2.949 210 T HA 0.174 4.524 4.350 0.000 0.000 0.287 210 T C 0.526 175.111 174.700 -0.191 0.000 1.034 210 T CA -0.901 61.111 62.100 -0.147 0.000 1.018 210 T CB 1.418 70.186 68.868 -0.166 0.000 1.135 210 T HN -0.065 nan 8.240 nan 0.000 0.532 211 D N 0.005 120.301 120.400 -0.174 0.000 2.149 211 D HA -0.104 4.536 4.640 0.000 0.000 0.198 211 D C 1.737 177.865 176.300 -0.287 0.000 0.990 211 D CA 1.362 55.253 54.000 -0.183 0.000 0.839 211 D CB -0.002 40.718 40.800 -0.134 0.000 0.948 211 D HN 0.860 nan 8.370 nan 0.000 0.460 212 E N 0.228 120.199 120.200 -0.383 0.000 2.072 212 E HA -0.081 4.269 4.350 0.000 0.000 0.190 212 E C 1.995 177.940 176.600 -1.091 0.000 0.982 212 E CA 0.810 56.819 56.400 -0.652 0.000 0.803 212 E CB 0.046 29.378 29.700 -0.614 0.000 0.755 212 E HN 0.136 nan 8.360 nan 0.000 0.453 213 A N 1.057 123.372 122.820 -0.841 0.000 1.933 213 A HA -0.222 4.098 4.320 0.000 0.000 0.218 213 A C 2.019 179.414 177.584 -0.316 0.000 1.175 213 A CA 1.834 53.501 52.037 -0.617 0.000 0.628 213 A CB -0.512 18.335 19.000 -0.254 0.000 0.814 213 A HN 0.317 nan 8.150 nan 0.000 0.444 214 E N 0.246 120.271 120.200 -0.292 0.000 2.285 214 E HA -0.136 4.214 4.350 0.000 0.000 0.194 214 E C 1.840 178.306 176.600 -0.222 0.000 0.997 214 E CA 1.336 57.624 56.400 -0.187 0.000 0.845 214 E CB -0.272 29.335 29.700 -0.156 0.000 0.782 214 E HN 0.708 nan 8.360 nan 0.000 0.491 215 E N -0.646 119.346 120.200 -0.345 0.000 2.047 215 E HA -0.163 4.187 4.350 0.000 0.000 0.191 215 E C 1.336 177.701 176.600 -0.391 0.000 0.987 215 E CA 1.279 57.442 56.400 -0.394 0.000 0.799 215 E CB -0.195 29.289 29.700 -0.360 0.000 0.752 215 E HN 0.372 nan 8.360 nan 0.000 0.449 216 W N 0.527 121.730 121.300 -0.163 0.000 2.355 216 W HA -0.011 4.649 4.660 0.000 0.000 0.309 216 W C 2.479 179.001 176.519 0.005 0.000 1.206 216 W CA 0.840 58.195 57.345 0.016 0.000 1.284 216 W CB -1.348 28.177 29.460 0.109 0.000 1.145 216 W HN 0.200 nan 8.180 nan 0.000 0.502 217 A N 0.238 123.170 122.820 0.188 0.000 1.940 217 A HA -0.253 4.067 4.320 0.000 0.000 0.219 217 A C 2.298 179.917 177.584 0.058 0.000 1.176 217 A CA 2.698 54.800 52.037 0.110 0.000 0.631 217 A CB -1.201 17.823 19.000 0.039 0.000 0.814 217 A HN 0.224 nan 8.150 nan 0.000 0.446 218 S N -1.525 114.146 115.700 -0.049 0.000 2.370 218 S HA -0.189 4.281 4.470 0.000 0.000 0.226 218 S C 1.949 176.583 174.600 0.056 0.000 1.033 218 S CA 1.749 59.903 58.200 -0.077 0.000 1.011 218 S CB -0.563 62.500 63.200 -0.228 0.000 0.852 218 S HN 0.588 nan 8.310 nan 0.000 0.457 219 Y N 1.755 122.177 120.300 0.202 0.000 2.242 219 Y HA 0.131 4.681 4.550 0.000 0.000 0.291 219 Y C 2.853 178.922 175.900 0.282 0.000 1.137 219 Y CA 0.321 58.602 58.100 0.301 0.000 1.181 219 Y CB -1.430 37.254 38.460 0.374 0.000 0.989 219 Y HN 0.383 nan 8.280 nan 0.000 0.527 220 G N -0.033 108.965 108.800 0.331 0.000 2.418 220 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 220 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 220 G C 1.828 176.814 174.900 0.144 0.000 1.158 220 G CA 0.726 45.943 45.100 0.195 0.000 0.771 220 G HN 0.305 nan 8.290 nan 0.000 0.545 221 R N -0.548 120.027 120.500 0.125 0.000 2.092 221 R HA 0.046 4.386 4.340 0.000 0.000 0.231 221 R C 2.454 178.823 176.300 0.116 0.000 1.119 221 R CA 0.961 57.111 56.100 0.083 0.000 0.970 221 R CB -0.490 29.845 30.300 0.058 0.000 0.864 221 R HN 0.397 nan 8.270 nan 0.000 0.440 222 L N 1.151 122.478 121.223 0.172 0.000 1.994 222 L HA -0.142 4.198 4.340 0.000 0.000 0.208 222 L C 2.101 179.099 176.870 0.212 0.000 1.071 222 L CA 1.532 56.472 54.840 0.167 0.000 0.745 222 L CB -0.606 41.550 42.059 0.163 0.000 0.892 222 L HN 0.097 nan 8.230 nan 0.000 0.431 223 L N -0.929 120.485 121.223 0.319 0.000 2.046 223 L HA -0.161 4.179 4.340 0.000 0.000 0.208 223 L C 2.293 179.238 176.870 0.125 0.000 1.077 223 L CA 1.903 56.889 54.840 0.242 0.000 0.747 223 L CB -0.849 41.267 42.059 0.095 0.000 0.896 223 L HN 0.431 nan 8.230 nan 0.000 0.432 224 L N 0.296 121.576 121.223 0.095 0.000 1.988 224 L HA -0.184 4.156 4.340 0.000 0.000 0.207 224 L C 2.882 179.799 176.870 0.079 0.000 1.071 224 L CA 2.325 57.201 54.840 0.059 0.000 0.744 224 L CB -0.835 41.214 42.059 -0.017 0.000 0.893 224 L HN 0.517 nan 8.230 nan 0.000 0.433 225 R N -1.162 119.385 120.500 0.079 0.000 2.096 225 R HA -0.130 4.210 4.340 0.000 0.000 0.235 225 R C 1.792 178.018 176.300 -0.123 0.000 1.127 225 R CA 1.489 57.627 56.100 0.063 0.000 0.968 225 R CB -0.694 29.684 30.300 0.131 0.000 0.861 225 R HN 0.345 nan 8.270 nan 0.000 0.440 226 E N 0.683 120.850 120.200 -0.055 0.000 2.072 226 E HA -0.062 4.288 4.350 0.000 0.000 0.190 226 E C 2.054 178.603 176.600 -0.086 0.000 0.982 226 E CA 1.716 58.053 56.400 -0.106 0.000 0.803 226 E CB -0.404 29.274 29.700 -0.036 0.000 0.755 226 E HN 0.392 nan 8.360 nan 0.000 0.453 227 T N 1.409 115.988 114.554 0.042 0.000 2.708 227 T HA -0.107 4.243 4.350 0.000 0.000 0.266 227 T C 1.944 176.748 174.700 0.174 0.000 1.037 227 T CA 1.640 63.851 62.100 0.186 0.000 1.146 227 T CB -0.251 68.743 68.868 0.210 0.000 0.865 227 T HN 0.260 nan 8.240 nan 0.000 0.435 228 A N 1.494 124.385 122.820 0.118 0.000 1.902 228 A HA -0.108 4.212 4.320 0.000 0.000 0.217 228 A C 2.226 179.733 177.584 -0.128 0.000 1.181 228 A CA 1.854 54.008 52.037 0.195 0.000 0.623 228 A CB -0.540 18.612 19.000 0.254 0.000 0.818 228 A HN 0.459 nan 8.150 nan 0.000 0.443 229 K N -0.145 119.844 120.400 -0.685 0.000 2.057 229 K HA -0.200 4.120 4.320 0.000 0.000 0.207 229 K C 2.171 178.573 176.600 -0.330 0.000 1.049 229 K CA 1.850 57.537 56.287 -0.999 0.000 0.931 229 K CB -0.166 31.719 32.500 -1.026 0.000 0.714 229 K HN 0.481 nan 8.250 nan 0.000 0.440 230 K N 0.684 120.965 120.400 -0.198 0.000 2.031 230 K HA -0.080 4.240 4.320 0.000 0.000 0.205 230 K C 2.157 178.763 176.600 0.009 0.000 1.049 230 K CA 0.957 57.159 56.287 -0.141 0.000 0.939 230 K CB -0.047 32.271 32.500 -0.304 0.000 0.717 230 K HN 0.115 nan 8.250 nan 0.000 0.438 231 L N 0.617 121.934 121.223 0.157 0.000 2.079 231 L HA -0.190 4.150 4.340 0.000 0.000 0.210 231 L C 2.597 179.514 176.870 0.078 0.000 1.081 231 L CA 1.281 56.234 54.840 0.188 0.000 0.752 231 L CB -0.531 41.684 42.059 0.261 0.000 0.896 231 L HN 0.318 nan 8.230 nan 0.000 0.433 232 A N -0.211 122.682 122.820 0.121 0.000 1.930 232 A HA -0.147 4.173 4.320 0.000 0.000 0.217 232 A C 2.271 179.898 177.584 0.072 0.000 1.175 232 A CA 1.208 53.313 52.037 0.115 0.000 0.627 232 A CB -0.542 18.703 19.000 0.407 0.000 0.815 232 A HN 0.332 nan 8.150 nan 0.000 0.443 233 L N 0.031 121.286 121.223 0.053 0.000 1.994 233 L HA -0.144 4.196 4.340 0.000 0.000 0.208 233 L C 2.416 179.290 176.870 0.007 0.000 1.071 233 L CA 1.796 56.649 54.840 0.022 0.000 0.745 233 L CB -0.486 41.560 42.059 -0.021 0.000 0.892 233 L HN 0.677 nan 8.230 nan 0.000 0.431 234 I N -2.799 117.774 120.570 0.006 0.000 3.456 234 I HA 0.113 4.283 4.170 0.000 0.000 0.291 234 I C 1.333 177.459 176.117 0.015 0.000 1.307 234 I CA 0.801 62.108 61.300 0.012 0.000 1.333 234 I CB -0.704 37.317 38.000 0.035 0.000 1.032 234 I HN 0.391 nan 8.210 nan 0.000 0.506 235 G N 1.990 110.792 108.800 0.002 0.000 2.179 235 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 235 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 235 G C 0.510 175.384 174.900 -0.043 0.000 0.977 235 G CA 0.478 45.567 45.100 -0.018 0.000 0.641 235 G HN 0.727 nan 8.290 nan 0.000 0.533 236 T N -0.478 114.057 114.554 -0.033 0.000 3.375 236 T HA 0.616 4.966 4.350 0.000 0.000 0.363 236 T C -1.985 172.625 174.700 -0.149 0.000 1.837 236 T CA -1.234 60.831 62.100 -0.058 0.000 1.445 236 T CB 1.818 70.693 68.868 0.013 0.000 1.089 236 T HN 0.219 nan 8.240 nan 0.000 0.722 237 P HA 0.190 nan 4.420 nan 0.000 0.235 237 P C -0.229 176.602 177.300 -0.782 0.000 1.765 237 P CA -0.000 62.524 63.100 -0.960 0.000 1.034 237 P CB -0.108 30.868 31.700 -1.207 0.000 1.984 238 S N 2.145 117.688 115.700 -0.262 0.000 2.442 238 S HA 0.336 4.806 4.470 0.000 0.000 0.297 238 S C 1.440 176.155 174.600 0.193 0.000 1.131 238 S CA -0.684 57.497 58.200 -0.032 0.000 1.092 238 S CB 0.477 63.686 63.200 0.015 0.000 0.998 238 S HN -0.017 nan 8.310 nan 0.000 0.478 239 M N 4.039 123.788 119.600 0.249 0.000 2.229 239 M HA -0.006 4.474 4.480 0.000 0.000 0.264 239 M C 2.055 178.518 176.300 0.271 0.000 1.063 239 M CA 1.330 56.834 55.300 0.340 0.000 1.114 239 M CB -1.249 31.526 32.600 0.292 0.000 1.387 239 M HN 0.793 nan 8.290 nan 0.000 0.420 240 R N 0.154 120.762 120.500 0.181 0.000 2.092 240 R HA -0.142 4.198 4.340 0.000 0.000 0.231 240 R C 2.005 178.431 176.300 0.212 0.000 1.119 240 R CA 1.196 57.396 56.100 0.167 0.000 0.970 240 R CB 0.078 30.428 30.300 0.083 0.000 0.864 240 R HN 0.150 nan 8.270 nan 0.000 0.440 241 E N 0.858 121.164 120.200 0.176 0.000 2.047 241 E HA -0.178 4.172 4.350 0.000 0.000 0.191 241 E C 1.922 178.693 176.600 0.285 0.000 0.987 241 E CA 0.859 57.367 56.400 0.179 0.000 0.799 241 E CB -0.350 29.467 29.700 0.194 0.000 0.752 241 E HN 0.245 nan 8.360 nan 0.000 0.449 242 L N 0.279 121.704 121.223 0.336 0.000 2.012 242 L HA -0.174 4.166 4.340 0.000 0.000 0.210 242 L C 2.276 179.318 176.870 0.287 0.000 1.073 242 L CA 1.688 56.740 54.840 0.353 0.000 0.748 242 L CB -0.844 41.472 42.059 0.427 0.000 0.891 242 L HN 0.106 nan 8.230 nan 0.000 0.431 243 F N -0.605 119.428 119.950 0.138 0.000 2.186 243 F HA -0.208 4.319 4.527 0.000 0.000 0.299 243 F C 2.577 178.380 175.800 0.005 0.000 1.090 243 F CA 1.924 59.967 58.000 0.071 0.000 1.307 243 F CB -0.387 38.661 39.000 0.079 0.000 1.019 243 F HN 0.447 nan 8.300 nan 0.000 0.489 244 H N -1.324 117.739 119.070 -0.011 0.000 2.293 244 H HA -0.207 4.349 4.556 0.000 0.000 0.300 244 H C 2.102 177.201 175.328 -0.381 0.000 1.082 244 H CA 2.575 58.466 56.048 -0.261 0.000 1.308 244 H CB -0.896 28.645 29.762 -0.368 0.000 1.375 244 H HN 0.372 nan 8.280 nan 0.000 0.495 245 W N 0.523 121.640 121.300 -0.306 0.000 2.354 245 W HA -0.195 4.465 4.660 0.000 0.000 0.315 245 W C 2.940 179.240 176.519 -0.366 0.000 1.206 245 W CA 1.955 59.056 57.345 -0.407 0.000 1.290 245 W CB -0.669 28.498 29.460 -0.488 0.000 1.152 245 W HN 0.397 nan 8.180 nan 0.000 0.489 246 T N -3.724 110.797 114.554 -0.055 0.000 2.962 246 T HA -0.136 4.214 4.350 0.000 0.000 0.270 246 T C 1.385 175.904 174.700 -0.301 0.000 1.088 246 T CA 1.730 63.745 62.100 -0.142 0.000 1.127 246 T CB -0.550 68.271 68.868 -0.079 0.000 0.883 246 T HN 0.234 nan 8.240 nan 0.000 0.493 247 T N -2.399 111.872 114.554 -0.472 0.000 3.046 247 T HA 0.396 4.746 4.350 0.000 0.000 0.270 247 T C 1.398 175.797 174.700 -0.501 0.000 0.920 247 T CA -0.388 61.390 62.100 -0.536 0.000 0.874 247 T CB 0.158 68.578 68.868 -0.746 0.000 1.214 247 T HN 0.248 nan 8.240 nan 0.000 0.536 248 I N 1.792 122.017 120.570 -0.575 0.000 3.300 248 I HA 0.478 4.648 4.170 0.000 0.000 0.279 248 I C 1.722 177.507 176.117 -0.553 0.000 1.172 248 I CA 0.053 61.048 61.300 -0.507 0.000 1.431 248 I CB -1.195 36.544 38.000 -0.436 0.000 1.240 248 I HN 0.342 nan 8.210 nan 0.000 0.453 249 A N 2.140 124.446 122.820 -0.856 0.000 2.507 249 A HA 0.233 4.553 4.320 0.000 0.000 0.235 249 A C 0.931 178.384 177.584 -0.217 0.000 1.070 249 A CA 0.360 52.055 52.037 -0.570 0.000 0.768 249 A CB -0.364 18.329 19.000 -0.512 0.000 1.011 249 A HN 0.512 nan 8.150 nan 0.000 0.502 250 T N -0.653 113.850 114.554 -0.084 0.000 2.856 250 T HA 0.222 4.572 4.350 0.000 0.000 0.306 250 T C 0.868 175.616 174.700 0.080 0.000 1.062 250 T CA 0.240 62.343 62.100 0.005 0.000 1.083 250 T CB 0.116 69.005 68.868 0.034 0.000 0.984 250 T HN 0.476 nan 8.240 nan 0.000 0.542 251 F N 1.615 121.515 119.950 -0.083 0.000 2.063 251 F HA -0.165 4.362 4.527 0.000 0.000 0.298 251 F C 1.942 177.728 175.800 -0.023 0.000 1.105 251 F CA 2.394 60.347 58.000 -0.078 0.000 1.215 251 F CB -0.577 38.371 39.000 -0.087 0.000 0.972 251 F HN 0.662 nan 8.300 nan 0.000 0.483 252 D N -0.222 120.280 120.400 0.170 0.000 2.117 252 D HA -0.157 4.483 4.640 0.000 0.000 0.198 252 D C 1.960 178.312 176.300 0.086 0.000 0.982 252 D CA 1.520 55.579 54.000 0.098 0.000 0.828 252 D CB -0.590 40.272 40.800 0.102 0.000 0.967 252 D HN 0.298 nan 8.370 nan 0.000 0.464 253 D N 0.341 120.820 120.400 0.132 0.000 2.117 253 D HA -0.099 4.541 4.640 0.000 0.000 0.197 253 D C 2.239 178.724 176.300 0.308 0.000 0.987 253 D CA 0.193 54.339 54.000 0.243 0.000 0.829 253 D CB -0.283 40.692 40.800 0.292 0.000 0.961 253 D HN 0.187 nan 8.370 nan 0.000 0.460 254 L N 0.772 122.126 121.223 0.218 0.000 2.012 254 L HA -0.190 4.150 4.340 0.000 0.000 0.210 254 L C 2.546 179.430 176.870 0.023 0.000 1.073 254 L CA 1.267 56.200 54.840 0.156 0.000 0.748 254 L CB -0.031 42.007 42.059 -0.035 0.000 0.891 254 L HN -0.043 nan 8.230 nan 0.000 0.431 255 R N -0.199 120.259 120.500 -0.070 0.000 2.096 255 R HA -0.186 4.154 4.340 0.000 0.000 0.240 255 R C 2.096 178.375 176.300 -0.036 0.000 1.139 255 R CA 1.588 57.639 56.100 -0.082 0.000 0.952 255 R CB -1.231 29.016 30.300 -0.088 0.000 0.854 255 R HN 0.539 nan 8.270 nan 0.000 0.436 256 G N 0.008 108.811 108.800 0.005 0.000 2.418 256 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 256 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 256 G C 1.354 176.212 174.900 -0.069 0.000 1.158 256 G CA 0.329 45.425 45.100 -0.007 0.000 0.771 256 G HN 0.298 nan 8.290 nan 0.000 0.545 257 F N 1.201 120.988 119.950 -0.270 0.000 2.171 257 F HA 0.063 4.590 4.527 0.000 0.000 0.300 257 F C 2.343 177.936 175.800 -0.345 0.000 1.090 257 F CA 1.039 58.736 58.000 -0.506 0.000 1.293 257 F CB -0.091 38.264 39.000 -1.075 0.000 1.013 257 F HN 0.031 nan 8.300 nan 0.000 0.486 258 L N -0.095 121.010 121.223 -0.197 0.000 2.291 258 L HA -0.083 4.257 4.340 0.000 0.000 0.214 258 L C 0.702 177.447 176.870 -0.208 0.000 1.120 258 L CA 0.386 55.108 54.840 -0.196 0.000 0.799 258 L CB -0.774 41.261 42.059 -0.041 0.000 0.925 258 L HN 0.019 nan 8.230 nan 0.000 0.446 259 E N 0.205 120.295 120.200 -0.183 0.000 2.529 259 E HA 0.072 4.422 4.350 0.000 0.000 0.259 259 E C 1.071 177.557 176.600 -0.190 0.000 0.966 259 E CA 0.715 57.026 56.400 -0.148 0.000 0.937 259 E CB 0.279 29.909 29.700 -0.116 0.000 0.923 259 E HN 0.345 nan 8.360 nan 0.000 0.468 260 G N 2.641 111.352 108.800 -0.147 0.000 2.194 260 G HA2 -0.275 3.685 3.960 0.000 0.000 0.236 260 G HA3 -0.275 3.685 3.960 0.000 0.000 0.236 260 G C 0.408 175.214 174.900 -0.157 0.000 0.987 260 G CA 0.291 45.301 45.100 -0.150 0.000 0.635 260 G HN 0.688 nan 8.290 nan 0.000 0.520 261 T N -1.593 112.862 114.554 -0.166 0.000 2.949 261 T HA 0.714 5.064 4.350 0.000 0.000 0.287 261 T C 1.581 176.215 174.700 -0.110 0.000 1.034 261 T CA -0.244 61.765 62.100 -0.152 0.000 1.018 261 T CB 1.659 70.419 68.868 -0.179 0.000 1.135 261 T HN 0.238 nan 8.240 nan 0.000 0.532 262 L N 0.473 121.637 121.223 -0.099 0.000 2.261 262 L HA 0.018 4.358 4.340 0.000 0.000 0.216 262 L C 2.791 179.600 176.870 -0.102 0.000 1.114 262 L CA 1.355 56.144 54.840 -0.086 0.000 0.777 262 L CB -0.687 41.329 42.059 -0.072 0.000 0.910 262 L HN 0.924 nan 8.230 nan 0.000 0.440 263 A N -0.839 121.926 122.820 -0.091 0.000 2.251 263 A HA -0.083 4.237 4.320 0.000 0.000 0.209 263 A C 2.121 179.676 177.584 -0.048 0.000 1.187 263 A CA 0.352 52.333 52.037 -0.095 0.000 0.823 263 A CB -0.232 18.797 19.000 0.049 0.000 0.846 263 A HN 0.434 nan 8.150 nan 0.000 0.486 264 E N 0.440 120.604 120.200 -0.060 0.000 2.021 264 E HA -0.196 4.154 4.350 0.000 0.000 0.200 264 E C 1.792 178.370 176.600 -0.037 0.000 1.015 264 E CA 1.883 58.255 56.400 -0.047 0.000 0.824 264 E CB -0.124 29.534 29.700 -0.070 0.000 0.762 264 E HN 0.510 nan 8.360 nan 0.000 0.454 265 S N 0.350 116.013 115.700 -0.061 0.000 2.436 265 S HA 0.023 4.493 4.470 0.000 0.000 0.228 265 S C 1.956 176.507 174.600 -0.083 0.000 1.014 265 S CA 0.324 58.490 58.200 -0.055 0.000 0.950 265 S CB -0.075 63.093 63.200 -0.053 0.000 0.784 265 S HN 0.256 nan 8.310 nan 0.000 0.504 266 L N -0.180 120.944 121.223 -0.165 0.000 2.131 266 L HA -0.040 4.301 4.340 0.000 0.000 0.210 266 L C 1.039 177.726 176.870 -0.305 0.000 1.092 266 L CA 1.077 55.748 54.840 -0.283 0.000 0.759 266 L CB -0.345 41.443 42.059 -0.452 0.000 0.903 266 L HN 0.282 nan 8.230 nan 0.000 0.435 267 F N -0.144 119.755 119.950 -0.085 0.000 2.660 267 F HA 0.419 4.946 4.527 0.000 0.000 0.297 267 F C 0.750 176.493 175.800 -0.096 0.000 1.132 267 F CA -0.509 57.420 58.000 -0.117 0.000 1.372 267 F CB -0.319 38.585 39.000 -0.160 0.000 1.003 267 F HN -0.105 nan 8.300 nan 0.000 0.524 268 A N -1.643 121.224 122.820 0.079 0.000 2.566 268 A HA 0.724 5.044 4.320 0.000 0.000 0.292 268 A C 0.859 178.463 177.584 0.033 0.000 1.112 268 A CA -0.090 51.979 52.037 0.055 0.000 0.707 268 A CB 1.045 20.064 19.000 0.031 0.000 1.302 268 A HN 0.528 nan 8.150 nan 0.000 0.409 269 G N -0.779 108.042 108.800 0.036 0.000 2.259 269 G HA2 0.164 4.124 3.960 0.000 0.000 0.217 269 G HA3 0.164 4.124 3.960 0.000 0.000 0.217 269 G C 0.409 175.326 174.900 0.028 0.000 1.001 269 G CA 0.760 45.874 45.100 0.024 0.000 0.627 269 G HN 2.555 nan 8.290 nan 0.000 0.501 270 S N -1.323 114.400 115.700 0.038 0.000 2.643 270 S HA 0.604 5.074 4.470 0.000 0.000 0.270 270 S C 0.523 175.151 174.600 0.046 0.000 1.166 270 S CA 0.166 58.388 58.200 0.036 0.000 0.815 270 S CB 0.952 64.169 63.200 0.029 0.000 1.139 270 S HN 0.009 nan 8.310 nan 0.000 0.472 271 N N 0.892 119.615 118.700 0.038 0.000 2.188 271 N HA -0.096 4.644 4.740 0.000 0.000 0.184 271 N C 1.468 177.005 175.510 0.045 0.000 1.018 271 N CA 1.620 54.692 53.050 0.037 0.000 0.858 271 N CB -0.515 37.987 38.487 0.024 0.000 0.989 271 N HN 0.801 nan 8.380 nan 0.000 0.426 272 E N 1.430 121.656 120.200 0.044 0.000 2.085 272 E HA -0.060 4.290 4.350 0.000 0.000 0.194 272 E C 1.788 178.409 176.600 0.034 0.000 0.994 272 E CA 1.414 57.842 56.400 0.047 0.000 0.801 272 E CB -0.321 29.408 29.700 0.049 0.000 0.743 272 E HN 0.301 nan 8.360 nan 0.000 0.453 273 A N -0.222 122.623 122.820 0.042 0.000 1.898 273 A HA -0.131 4.189 4.320 0.000 0.000 0.216 273 A C 2.435 180.091 177.584 0.120 0.000 1.181 273 A CA 1.807 53.880 52.037 0.060 0.000 0.620 273 A CB -0.673 18.364 19.000 0.061 0.000 0.819 273 A HN 0.291 nan 8.150 nan 0.000 0.442 274 S N -0.540 115.240 115.700 0.134 0.000 2.383 274 S HA -0.140 4.330 4.470 0.000 0.000 0.227 274 S C 1.984 176.691 174.600 0.179 0.000 1.026 274 S CA 1.526 59.869 58.200 0.239 0.000 0.981 274 S CB -0.210 63.115 63.200 0.209 0.000 0.818 274 S HN 0.697 nan 8.310 nan 0.000 0.472 275 K N 1.578 122.024 120.400 0.077 0.000 2.057 275 K HA -0.064 4.256 4.320 0.000 0.000 0.207 275 K C 2.215 178.821 176.600 0.009 0.000 1.049 275 K CA 1.191 57.502 56.287 0.041 0.000 0.931 275 K CB -0.364 32.165 32.500 0.048 0.000 0.714 275 K HN 0.281 nan 8.250 nan 0.000 0.440 276 A N 1.776 124.555 122.820 -0.068 0.000 1.883 276 A HA -0.171 4.149 4.320 0.000 0.000 0.217 276 A C 2.164 179.649 177.584 -0.165 0.000 1.186 276 A CA 1.369 53.210 52.037 -0.327 0.000 0.624 276 A CB -0.717 17.882 19.000 -0.669 0.000 0.822 276 A HN 0.430 nan 8.150 nan 0.000 0.444 277 L N -0.583 120.516 121.223 -0.206 0.000 2.017 277 L HA -0.174 4.166 4.340 0.000 0.000 0.208 277 L C 2.695 179.401 176.870 -0.274 0.000 1.073 277 L CA 2.243 56.683 54.840 -0.667 0.000 0.745 277 L CB -0.718 40.919 42.059 -0.703 0.000 0.894 277 L HN 0.423 nan 8.230 nan 0.000 0.432 278 T N -0.741 113.820 114.554 0.011 0.000 2.720 278 T HA -0.188 4.162 4.350 0.000 0.000 0.268 278 T C 2.026 176.697 174.700 -0.047 0.000 1.037 278 T CA 1.703 63.799 62.100 -0.007 0.000 1.144 278 T CB -0.162 68.713 68.868 0.011 0.000 0.864 278 T HN 0.360 nan 8.240 nan 0.000 0.444 279 S N 1.249 116.952 115.700 0.006 0.000 2.359 279 S HA -0.082 4.388 4.470 0.000 0.000 0.224 279 S C 2.598 177.259 174.600 0.102 0.000 1.035 279 S CA 1.053 59.264 58.200 0.019 0.000 1.018 279 S CB -0.644 62.592 63.200 0.061 0.000 0.876 279 S HN 0.612 nan 8.310 nan 0.000 0.448 280 A N 2.286 125.157 122.820 0.086 0.000 1.908 280 A HA -0.160 4.160 4.320 0.000 0.000 0.218 280 A C 2.168 179.729 177.584 -0.039 0.000 1.181 280 A CA 1.269 53.349 52.037 0.072 0.000 0.627 280 A CB -0.489 18.495 19.000 -0.026 0.000 0.818 280 A HN 0.331 nan 8.150 nan 0.000 0.445 281 R N -1.479 118.919 120.500 -0.171 0.000 2.083 281 R HA -0.140 4.200 4.340 0.000 0.000 0.237 281 R C 1.886 178.059 176.300 -0.213 0.000 1.137 281 R CA 1.575 57.518 56.100 -0.261 0.000 0.951 281 R CB -0.903 29.158 30.300 -0.398 0.000 0.851 281 R HN 0.566 nan 8.270 nan 0.000 0.434 282 F N 0.717 120.615 119.950 -0.087 0.000 2.134 282 F HA -0.161 4.366 4.527 0.000 0.000 0.299 282 F C 2.590 178.373 175.800 -0.029 0.000 1.097 282 F CA 0.818 58.772 58.000 -0.077 0.000 1.264 282 F CB -0.889 38.031 39.000 -0.133 0.000 1.001 282 F HN -0.249 nan 8.300 nan 0.000 0.479 283 V N -0.354 119.674 119.914 0.190 0.000 2.255 283 V HA -0.291 3.829 4.120 0.000 0.000 0.247 283 V C 2.393 178.551 176.094 0.106 0.000 1.051 283 V CA 1.426 63.819 62.300 0.154 0.000 1.018 283 V CB -0.777 31.145 31.823 0.165 0.000 0.641 283 V HN 0.173 nan 8.190 nan 0.000 0.445 284 L N 0.877 122.137 121.223 0.063 0.000 2.131 284 L HA -0.129 4.211 4.340 0.000 0.000 0.210 284 L C 2.743 179.667 176.870 0.091 0.000 1.092 284 L CA 2.297 57.163 54.840 0.043 0.000 0.759 284 L CB -1.284 40.770 42.059 -0.009 0.000 0.903 284 L HN 0.574 nan 8.230 nan 0.000 0.435 285 S N -1.472 114.267 115.700 0.064 0.000 2.423 285 S HA -0.156 4.314 4.470 0.000 0.000 0.231 285 S C 1.600 176.321 174.600 0.201 0.000 1.014 285 S CA 1.306 59.578 58.200 0.121 0.000 0.965 285 S CB -0.214 63.022 63.200 0.059 0.000 0.785 285 S HN 0.456 nan 8.310 nan 0.000 0.495 286 D N 0.917 121.412 120.400 0.159 0.000 2.216 286 D HA 0.086 4.726 4.640 0.000 0.000 0.208 286 D C 1.939 178.311 176.300 0.120 0.000 0.960 286 D CA 0.736 54.816 54.000 0.133 0.000 0.861 286 D CB -0.005 40.860 40.800 0.109 0.000 0.985 286 D HN 0.340 nan 8.370 nan 0.000 0.493 287 K N 0.653 121.121 120.400 0.113 0.000 2.128 287 K HA 0.132 4.452 4.320 0.000 0.000 0.202 287 K C 2.360 179.052 176.600 0.155 0.000 1.050 287 K CA 0.154 56.500 56.287 0.097 0.000 0.966 287 K CB -0.367 32.152 32.500 0.033 0.000 0.759 287 K HN 0.192 nan 8.250 nan 0.000 0.454 288 L N 1.064 122.384 121.223 0.162 0.000 2.156 288 L HA -0.064 4.276 4.340 0.000 0.000 0.208 288 L C -0.777 176.209 176.870 0.193 0.000 1.095 288 L CA 0.616 55.578 54.840 0.203 0.000 0.770 288 L CB -1.600 40.636 42.059 0.295 0.000 0.914 288 L HN 0.036 nan 8.230 nan 0.000 0.439 289 P HA -0.263 nan 4.420 nan 0.000 0.219 289 P C 1.249 178.517 177.300 -0.052 0.000 1.159 289 P CA 1.593 64.638 63.100 -0.093 0.000 0.944 289 P CB 0.001 31.713 31.700 0.020 0.000 0.792 290 E N -2.053 118.162 120.200 0.026 0.000 2.338 290 E HA -0.173 4.177 4.350 0.000 0.000 0.197 290 E C 1.998 178.570 176.600 -0.045 0.000 1.007 290 E CA 0.918 57.306 56.400 -0.020 0.000 0.849 290 E CB -0.782 28.878 29.700 -0.066 0.000 0.774 290 E HN 0.557 nan 8.360 nan 0.000 0.506 291 H N -0.336 118.744 119.070 0.017 0.000 2.428 291 H HA 0.001 4.557 4.556 0.000 0.000 0.296 291 H C 2.158 177.541 175.328 0.090 0.000 1.062 291 H CA 0.971 57.085 56.048 0.111 0.000 1.350 291 H CB 0.398 30.244 29.762 0.141 0.000 1.403 291 H HN 0.002 nan 8.280 nan 0.000 0.533 292 V N 0.934 120.913 119.914 0.109 0.000 2.283 292 V HA -0.201 3.919 4.120 0.000 0.000 0.243 292 V C 2.782 178.870 176.094 -0.010 0.000 1.039 292 V CA 2.207 64.510 62.300 0.004 0.000 1.016 292 V CB -0.810 30.869 31.823 -0.241 0.000 0.650 292 V HN 0.573 nan 8.190 nan 0.000 0.449 293 T N -2.853 111.671 114.554 -0.051 0.000 3.072 293 T HA -0.017 4.333 4.350 0.000 0.000 0.266 293 T C 0.936 175.595 174.700 -0.068 0.000 1.127 293 T CA 0.353 62.414 62.100 -0.065 0.000 1.107 293 T CB -0.291 68.530 68.868 -0.079 0.000 0.910 293 T HN 0.129 nan 8.240 nan 0.000 0.513 294 M N 2.915 122.518 119.600 0.004 0.000 2.246 294 M HA 0.261 4.741 4.480 0.000 0.000 0.350 294 M C -2.407 173.951 176.300 0.096 0.000 1.406 294 M CA -2.331 53.012 55.300 0.072 0.000 1.089 294 M CB 0.517 33.252 32.600 0.226 0.000 1.782 294 M HN -0.013 nan 8.290 nan 0.000 0.457 295 P HA -0.039 nan 4.420 nan 0.000 0.262 295 P C -0.583 176.793 177.300 0.126 0.000 1.182 295 P CA 0.274 63.415 63.100 0.069 0.000 0.761 295 P CB 0.364 32.092 31.700 0.047 0.000 0.795 296 D N 1.549 122.008 120.400 0.097 0.000 2.329 296 D HA 0.544 5.184 4.640 0.000 0.000 0.246 296 D C 0.512 176.876 176.300 0.106 0.000 1.111 296 D CA 0.409 54.474 54.000 0.109 0.000 0.941 296 D CB 1.288 42.128 40.800 0.067 0.000 1.169 296 D HN 0.462 nan 8.370 nan 0.000 0.441 297 G N 0.470 109.343 108.800 0.122 0.000 2.489 297 G HA2 0.194 4.154 3.960 0.000 0.000 0.305 297 G HA3 0.194 4.154 3.960 0.000 0.000 0.305 297 G C -0.826 174.150 174.900 0.126 0.000 1.311 297 G CA -0.472 44.703 45.100 0.125 0.000 0.813 297 G HN 0.435 nan 8.290 nan 0.000 0.480 298 D N -1.095 119.389 120.400 0.140 0.000 2.402 298 D HA 0.198 4.838 4.640 0.000 0.000 0.216 298 D C 0.314 176.714 176.300 0.167 0.000 1.128 298 D CA -0.650 53.414 54.000 0.107 0.000 0.833 298 D CB 0.049 40.888 40.800 0.065 0.000 0.971 298 D HN 0.171 nan 8.370 nan 0.000 0.503 299 F N 2.234 122.262 119.950 0.129 0.000 2.578 299 F HA 0.276 4.803 4.527 0.000 0.000 0.381 299 F C 0.192 176.149 175.800 0.260 0.000 1.069 299 F CA -0.252 57.848 58.000 0.166 0.000 1.231 299 F CB 0.896 39.981 39.000 0.143 0.000 1.086 299 F HN -0.117 nan 8.300 nan 0.000 0.564 300 S N 6.926 122.230 115.700 -0.660 0.000 2.552 300 S HA 0.423 4.893 4.470 0.000 0.000 0.314 300 S C 1.040 175.225 174.600 -0.691 0.000 1.099 300 S CA -0.863 57.080 58.200 -0.429 0.000 1.070 300 S CB 0.594 63.673 63.200 -0.200 0.000 0.998 300 S HN 0.719 nan 8.310 nan 0.000 0.474 301 I N 4.558 124.921 120.570 -0.345 0.000 2.361 301 I HA -0.152 4.018 4.170 0.000 0.000 0.251 301 I C 2.580 178.751 176.117 0.091 0.000 1.133 301 I CA 0.963 62.196 61.300 -0.111 0.000 1.413 301 I CB -0.141 37.894 38.000 0.059 0.000 1.073 301 I HN 0.663 nan 8.210 nan 0.000 0.424 302 R N 0.246 120.767 120.500 0.035 0.000 2.066 302 R HA -0.100 4.240 4.340 0.000 0.000 0.232 302 R C 2.505 178.827 176.300 0.037 0.000 1.131 302 R CA 1.692 57.829 56.100 0.062 0.000 0.955 302 R CB -0.414 29.901 30.300 0.024 0.000 0.851 302 R HN 0.241 nan 8.270 nan 0.000 0.432 303 S N 0.236 115.925 115.700 -0.018 0.000 2.382 303 S HA -0.176 4.294 4.470 0.000 0.000 0.228 303 S C 1.351 175.975 174.600 0.040 0.000 1.027 303 S CA 1.109 59.302 58.200 -0.012 0.000 0.991 303 S CB -0.308 62.866 63.200 -0.044 0.000 0.823 303 S HN 0.477 nan 8.310 nan 0.000 0.469 304 W N 2.454 123.669 121.300 -0.141 0.000 2.338 304 W HA -0.074 4.586 4.660 0.000 0.000 0.304 304 W C 1.603 178.137 176.519 0.025 0.000 1.212 304 W CA 1.049 58.382 57.345 -0.020 0.000 1.264 304 W CB -0.524 28.956 29.460 0.034 0.000 1.142 304 W HN 0.185 nan 8.180 nan 0.000 0.512 305 L N 0.415 121.656 121.223 0.030 0.000 2.083 305 L HA -0.217 4.123 4.340 0.000 0.000 0.209 305 L C 2.324 179.073 176.870 -0.201 0.000 1.083 305 L CA 1.860 56.598 54.840 -0.170 0.000 0.752 305 L CB -0.783 41.313 42.059 0.060 0.000 0.899 305 L HN 0.058 nan 8.230 nan 0.000 0.433 306 E N -0.840 119.297 120.200 -0.104 0.000 2.285 306 E HA -0.136 4.214 4.350 0.000 0.000 0.194 306 E C 0.493 177.026 176.600 -0.112 0.000 0.997 306 E CA 0.102 56.452 56.400 -0.084 0.000 0.845 306 E CB -0.015 29.663 29.700 -0.036 0.000 0.782 306 E HN 0.261 nan 8.360 nan 0.000 0.491 307 D N 1.084 121.396 120.400 -0.147 0.000 2.342 307 D HA 0.004 4.644 4.640 0.000 0.000 0.260 307 D C -1.806 174.387 176.300 -0.178 0.000 1.278 307 D CA -2.143 51.781 54.000 -0.128 0.000 0.910 307 D CB 1.161 41.909 40.800 -0.086 0.000 1.079 307 D HN -0.161 nan 8.370 nan 0.000 0.496 308 P HA -0.114 nan 4.420 nan 0.000 0.215 308 P C 0.634 177.881 177.300 -0.088 0.000 1.157 308 P CA 0.932 63.972 63.100 -0.100 0.000 0.868 308 P CB 0.226 31.892 31.700 -0.057 0.000 0.788 309 N N -0.555 118.113 118.700 -0.053 0.000 2.515 309 N HA 0.022 4.762 4.740 0.000 0.000 0.191 309 N C 1.119 176.625 175.510 -0.005 0.000 1.182 309 N CA 0.424 53.464 53.050 -0.017 0.000 0.879 309 N CB -0.392 38.100 38.487 0.009 0.000 0.984 309 N HN 0.132 nan 8.380 nan 0.000 0.453 310 G N -0.361 108.389 108.800 -0.082 0.000 2.554 310 G HA2 0.371 4.331 3.960 0.000 0.000 0.238 310 G HA3 0.371 4.331 3.960 0.000 0.000 0.238 310 G C 0.762 175.682 174.900 0.032 0.000 1.259 310 G CA -0.084 44.974 45.100 -0.070 0.000 0.843 310 G HN 0.164 nan 8.290 nan 0.000 0.582 311 G N 0.274 109.256 108.800 0.303 0.000 3.137 311 G HA2 0.372 4.332 3.960 0.000 0.000 0.163 311 G HA3 0.372 4.332 3.960 0.000 0.000 0.163 311 G C 0.047 175.220 174.900 0.456 0.000 1.602 311 G CA -0.602 44.683 45.100 0.308 0.000 1.067 311 G HN 0.601 nan 8.290 nan 0.000 0.568 312 N N -0.658 118.320 118.700 0.464 0.000 2.362 312 N HA 0.439 5.179 4.740 0.000 0.000 0.299 312 N C -1.371 174.285 175.510 0.243 0.000 1.170 312 N CA -0.493 52.805 53.050 0.414 0.000 0.825 312 N CB 2.497 41.044 38.487 0.100 0.000 1.299 312 N HN 0.235 nan 8.380 nan 0.000 0.502 313 L N 1.465 122.648 121.223 -0.066 0.000 2.313 313 L HA 0.513 4.853 4.340 0.000 0.000 0.283 313 L C -1.310 175.324 176.870 -0.393 0.000 1.013 313 L CA -0.669 53.927 54.840 -0.406 0.000 0.816 313 L CB 0.482 42.029 42.059 -0.854 0.000 1.236 313 L HN 0.389 nan 8.230 nan 0.000 0.419 314 F N 5.526 125.379 119.950 -0.162 0.000 2.402 314 F HA 0.429 4.956 4.527 0.000 0.000 0.355 314 F C 0.228 175.964 175.800 -0.108 0.000 1.123 314 F CA -0.423 57.529 58.000 -0.081 0.000 1.021 314 F CB 1.324 40.289 39.000 -0.058 0.000 1.160 314 F HN 0.221 nan 8.300 nan 0.000 0.451 315 I N 4.038 124.677 120.570 0.116 0.000 2.287 315 I HA 0.234 4.404 4.170 0.000 0.000 0.290 315 I C 0.227 176.560 176.117 0.360 0.000 1.069 315 I CA -0.221 61.181 61.300 0.169 0.000 1.237 315 I CB 0.571 38.712 38.000 0.235 0.000 1.418 315 I HN 0.614 nan 8.210 nan 0.000 0.481 316 T N 2.099 116.844 114.554 0.319 0.000 2.949 316 T HA 0.791 5.141 4.350 0.000 0.000 0.287 316 T C -1.027 173.951 174.700 0.463 0.000 1.034 316 T CA -0.703 61.541 62.100 0.240 0.000 1.018 316 T CB 2.054 70.980 68.868 0.097 0.000 1.135 316 T HN 0.655 nan 8.240 nan 0.000 0.532 317 W N -0.765 120.576 121.300 0.067 0.000 3.499 317 W HA 0.569 5.229 4.660 0.000 0.000 0.288 317 W C -1.618 174.837 176.519 -0.107 0.000 1.258 317 W CA -1.156 56.197 57.345 0.013 0.000 1.203 317 W CB 0.831 30.323 29.460 0.054 0.000 1.325 317 W HN 0.749 nan 8.180 nan 0.000 0.564 318 R N 2.435 122.853 120.500 -0.136 0.000 2.340 318 R HA 0.121 4.461 4.340 0.000 0.000 0.300 318 R C 0.880 177.168 176.300 -0.019 0.000 1.069 318 R CA -0.368 55.569 56.100 -0.273 0.000 0.984 318 R CB 1.308 31.345 30.300 -0.439 0.000 1.003 318 R HN 0.780 nan 8.270 nan 0.000 0.459 319 E N 1.415 121.575 120.200 -0.067 0.000 2.267 319 E HA -0.214 4.136 4.350 0.000 0.000 0.197 319 E C 0.886 177.538 176.600 0.087 0.000 0.998 319 E CA 1.431 57.891 56.400 0.100 0.000 0.830 319 E CB 0.123 29.837 29.700 0.023 0.000 0.751 319 E HN 0.592 nan 8.360 nan 0.000 0.491 320 D N -0.339 120.062 120.400 0.001 0.000 2.378 320 D HA -0.154 4.486 4.640 0.000 0.000 0.227 320 D C 1.233 177.523 176.300 -0.017 0.000 1.012 320 D CA 0.722 54.712 54.000 -0.016 0.000 0.905 320 D CB -0.020 40.750 40.800 -0.050 0.000 0.895 320 D HN 0.230 nan 8.370 nan 0.000 0.532 321 M N -0.184 119.423 119.600 0.011 0.000 2.496 321 M HA 0.311 4.791 4.480 0.000 0.000 0.330 321 M C 1.630 177.940 176.300 0.017 0.000 1.133 321 M CA -0.111 55.177 55.300 -0.020 0.000 0.964 321 M CB 1.558 34.092 32.600 -0.109 0.000 1.401 321 M HN 0.046 nan 8.290 nan 0.000 0.520 322 G N 2.881 111.729 108.800 0.080 0.000 2.480 322 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 322 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 322 G C -0.520 174.299 174.900 -0.135 0.000 1.200 322 G CA 0.781 45.854 45.100 -0.045 0.000 0.782 322 G HN 0.313 nan 8.290 nan 0.000 0.554 323 P HA -0.125 nan 4.420 nan 0.000 0.216 323 P C 2.001 179.261 177.300 -0.068 0.000 1.153 323 P CA 2.181 65.245 63.100 -0.059 0.000 0.858 323 P CB -0.216 31.469 31.700 -0.025 0.000 0.789 324 A N -0.151 122.635 122.820 -0.057 0.000 1.930 324 A HA -0.072 4.248 4.320 0.000 0.000 0.217 324 A C 2.340 179.885 177.584 -0.065 0.000 1.175 324 A CA 1.195 53.208 52.037 -0.040 0.000 0.627 324 A CB -1.403 17.584 19.000 -0.021 0.000 0.815 324 A HN 0.173 nan 8.150 nan 0.000 0.443 325 L N -1.324 119.825 121.223 -0.122 0.000 2.558 325 L HA 0.088 4.428 4.340 0.000 0.000 0.225 325 L C 2.373 179.073 176.870 -0.282 0.000 1.128 325 L CA 0.168 54.895 54.840 -0.187 0.000 0.868 325 L CB -0.296 41.650 42.059 -0.189 0.000 1.006 325 L HN 0.431 nan 8.230 nan 0.000 0.454 326 R N 1.406 121.757 120.500 -0.249 0.000 2.112 326 R HA -0.188 4.152 4.340 0.000 0.000 0.242 326 R C -0.484 175.704 176.300 -0.187 0.000 1.137 326 R CA 2.165 58.123 56.100 -0.236 0.000 0.944 326 R CB -1.051 29.158 30.300 -0.152 0.000 0.857 326 R HN 0.239 nan 8.270 nan 0.000 0.435 327 P HA -0.163 nan 4.420 nan 0.000 0.219 327 P C 1.575 178.795 177.300 -0.135 0.000 1.150 327 P CA 1.106 64.157 63.100 -0.081 0.000 0.814 327 P CB -0.134 31.562 31.700 -0.007 0.000 0.787 328 L N -0.568 120.479 121.223 -0.294 0.000 2.044 328 L HA -0.085 4.255 4.340 0.000 0.000 0.205 328 L C 2.614 179.015 176.870 -0.783 0.000 1.075 328 L CA 1.377 55.821 54.840 -0.660 0.000 0.747 328 L CB -0.573 40.981 42.059 -0.842 0.000 0.903 328 L HN -0.159 nan 8.230 nan 0.000 0.435 329 I N -0.769 119.494 120.570 -0.511 0.000 2.226 329 I HA -0.301 3.869 4.170 0.000 0.000 0.245 329 I C 2.547 178.604 176.117 -0.099 0.000 1.100 329 I CA 1.229 62.386 61.300 -0.238 0.000 1.374 329 I CB -0.272 37.541 38.000 -0.312 0.000 1.057 329 I HN 0.195 nan 8.210 nan 0.000 0.413 330 S N 0.772 116.397 115.700 -0.126 0.000 2.382 330 S HA -0.170 4.300 4.470 0.000 0.000 0.228 330 S C 2.273 176.885 174.600 0.021 0.000 1.027 330 S CA 1.303 59.486 58.200 -0.030 0.000 0.991 330 S CB -0.374 62.802 63.200 -0.040 0.000 0.823 330 S HN 0.552 nan 8.310 nan 0.000 0.469 331 A N 1.312 124.114 122.820 -0.031 0.000 1.877 331 A HA -0.128 4.192 4.320 0.000 0.000 0.216 331 A C 1.890 179.570 177.584 0.159 0.000 1.186 331 A CA 1.319 53.397 52.037 0.067 0.000 0.620 331 A CB -0.864 18.194 19.000 0.096 0.000 0.822 331 A HN 0.622 nan 8.150 nan 0.000 0.443 332 W N -0.053 121.235 121.300 -0.021 0.000 2.358 332 W HA -0.089 4.571 4.660 0.000 0.000 0.303 332 W C 2.365 178.885 176.519 0.003 0.000 1.208 332 W CA 1.076 58.357 57.345 -0.106 0.000 1.274 332 W CB -1.344 27.975 29.460 -0.234 0.000 1.138 332 W HN 0.186 nan 8.180 nan 0.000 0.515 333 V N 0.376 120.445 119.914 0.258 0.000 2.332 333 V HA -0.304 3.816 4.120 0.000 0.000 0.248 333 V C 1.819 178.020 176.094 0.179 0.000 1.055 333 V CA 2.463 64.879 62.300 0.193 0.000 1.038 333 V CB -1.032 30.887 31.823 0.159 0.000 0.651 333 V HN 0.016 nan 8.190 nan 0.000 0.450 334 D N -0.488 120.017 120.400 0.175 0.000 2.144 334 D HA -0.131 4.509 4.640 0.000 0.000 0.200 334 D C 2.028 178.457 176.300 0.215 0.000 0.978 334 D CA 0.990 55.088 54.000 0.163 0.000 0.833 334 D CB 0.039 40.921 40.800 0.136 0.000 0.961 334 D HN 0.192 nan 8.370 nan 0.000 0.470 335 V N -0.204 119.893 119.914 0.305 0.000 2.332 335 V HA -0.233 3.887 4.120 0.000 0.000 0.248 335 V C 2.470 178.763 176.094 0.332 0.000 1.055 335 V CA 1.239 63.797 62.300 0.430 0.000 1.038 335 V CB -0.341 31.768 31.823 0.478 0.000 0.651 335 V HN 0.177 nan 8.190 nan 0.000 0.450 336 V N -1.094 118.970 119.914 0.249 0.000 2.295 336 V HA -0.297 3.823 4.120 0.000 0.000 0.246 336 V C 2.521 178.717 176.094 0.170 0.000 1.049 336 V CA 2.279 64.706 62.300 0.212 0.000 1.024 336 V CB -0.758 31.179 31.823 0.189 0.000 0.648 336 V HN 0.654 nan 8.190 nan 0.000 0.447 337 C N 0.095 119.479 119.300 0.141 0.000 2.413 337 C HA -0.154 4.306 4.460 0.000 0.000 0.277 337 C C 2.933 177.971 174.990 0.080 0.000 1.265 337 C CA 1.761 60.832 59.018 0.088 0.000 1.752 337 C CB -1.317 26.464 27.740 0.069 0.000 1.998 337 C HN 0.689 nan 8.230 nan 0.000 0.489 338 T N 0.062 114.677 114.554 0.101 0.000 2.851 338 T HA -0.086 4.264 4.350 0.000 0.000 0.262 338 T C 1.972 176.739 174.700 0.111 0.000 1.043 338 T CA 1.516 63.654 62.100 0.063 0.000 1.140 338 T CB -0.347 68.503 68.868 -0.030 0.000 0.872 338 T HN 0.500 nan 8.240 nan 0.000 0.446 339 S N 2.156 117.973 115.700 0.194 0.000 2.383 339 S HA -0.088 4.382 4.470 0.000 0.000 0.229 339 S C 2.180 176.862 174.600 0.137 0.000 1.030 339 S CA 1.403 59.730 58.200 0.213 0.000 1.002 339 S CB -0.646 62.709 63.200 0.258 0.000 0.829 339 S HN 0.742 nan 8.310 nan 0.000 0.467 340 I N -0.909 119.728 120.570 0.110 0.000 2.567 340 I HA -0.072 4.098 4.170 0.000 0.000 0.257 340 I C 1.491 177.639 176.117 0.051 0.000 1.184 340 I CA 1.109 62.451 61.300 0.070 0.000 1.451 340 I CB -0.364 37.666 38.000 0.051 0.000 1.089 340 I HN 0.088 nan 8.210 nan 0.000 0.441 341 L N 0.724 121.981 121.223 0.057 0.000 2.551 341 L HA 0.031 4.371 4.340 0.000 0.000 0.228 341 L C 2.051 178.954 176.870 0.055 0.000 1.153 341 L CA 1.241 56.106 54.840 0.043 0.000 0.851 341 L CB -0.663 41.418 42.059 0.037 0.000 0.959 341 L HN 0.245 nan 8.230 nan 0.000 0.451 342 S N -1.445 114.301 115.700 0.078 0.000 2.539 342 S HA 0.305 4.775 4.470 0.000 0.000 0.221 342 S C 0.706 175.344 174.600 0.063 0.000 0.987 342 S CA -0.417 57.836 58.200 0.089 0.000 0.929 342 S CB 0.250 63.529 63.200 0.132 0.000 0.832 342 S HN 0.118 nan 8.310 nan 0.000 0.492 343 L N 3.872 125.122 121.223 0.046 0.000 2.456 343 L HA 0.223 4.563 4.340 0.000 0.000 0.272 343 L C -1.854 175.024 176.870 0.014 0.000 1.189 343 L CA -1.519 53.336 54.840 0.025 0.000 0.846 343 L CB -0.050 42.016 42.059 0.012 0.000 1.111 343 L HN 0.058 nan 8.230 nan 0.000 0.475 344 P HA 0.054 nan 4.420 nan 0.000 0.271 344 P C -1.012 176.284 177.300 -0.006 0.000 1.216 344 P CA -0.547 62.554 63.100 0.002 0.000 0.776 344 P CB 0.523 32.222 31.700 -0.001 0.000 0.881 345 E N 1.710 121.906 120.200 -0.007 0.000 2.614 345 E HA 0.020 4.370 4.350 0.000 0.000 0.245 345 E C 0.216 176.806 176.600 -0.017 0.000 1.039 345 E CA 0.993 57.386 56.400 -0.013 0.000 0.948 345 E CB -0.346 29.347 29.700 -0.011 0.000 0.937 345 E HN 0.250 nan 8.360 nan 0.000 0.498 346 E N 4.193 124.380 120.200 -0.023 0.000 2.580 346 E HA 0.173 4.523 4.350 0.000 0.000 0.248 346 E C -2.033 174.548 176.600 -0.031 0.000 1.018 346 E CA -2.176 54.208 56.400 -0.027 0.000 0.775 346 E CB 1.232 30.913 29.700 -0.031 0.000 1.378 346 E HN 0.194 nan 8.360 nan 0.000 0.401 347 P HA -0.164 nan 4.420 nan 0.000 0.217 347 P C 0.676 177.955 177.300 -0.035 0.000 1.148 347 P CA 1.339 64.420 63.100 -0.032 0.000 0.834 347 P CB 0.406 32.090 31.700 -0.026 0.000 0.783 348 K N -1.271 119.110 120.400 -0.032 0.000 2.404 348 K HA 0.053 4.373 4.320 0.000 0.000 0.194 348 K C 1.015 177.594 176.600 -0.035 0.000 1.023 348 K CA -0.202 56.067 56.287 -0.030 0.000 1.094 348 K CB 0.158 32.644 32.500 -0.023 0.000 0.841 348 K HN 0.119 nan 8.250 nan 0.000 0.523 349 R N 2.175 122.649 120.500 -0.043 0.000 2.537 349 R HA 0.064 4.404 4.340 0.000 0.000 0.280 349 R C -0.644 175.618 176.300 -0.064 0.000 1.058 349 R CA 0.278 56.347 56.100 -0.050 0.000 1.057 349 R CB 0.477 30.744 30.300 -0.055 0.000 0.973 349 R HN -0.002 nan 8.270 nan 0.000 0.438 350 R N 5.245 125.712 120.500 -0.055 0.000 2.500 350 R HA 0.364 4.704 4.340 0.000 0.000 0.299 350 R C -1.238 175.027 176.300 -0.058 0.000 1.038 350 R CA -0.730 55.319 56.100 -0.087 0.000 0.903 350 R CB 1.638 31.924 30.300 -0.024 0.000 1.177 350 R HN 0.480 nan 8.270 nan 0.000 0.455 351 L N 3.935 125.077 121.223 -0.135 0.000 2.406 351 L HA 0.498 4.838 4.340 0.000 0.000 0.272 351 L C -1.422 175.397 176.870 -0.085 0.000 0.980 351 L CA -0.695 54.130 54.840 -0.025 0.000 0.831 351 L CB 1.425 43.481 42.059 -0.005 0.000 1.253 351 L HN 0.604 nan 8.230 nan 0.000 0.406 352 W N 5.285 126.630 121.300 0.074 0.000 2.449 352 W HA 0.541 5.201 4.660 0.000 0.000 0.331 352 W C -0.354 176.202 176.519 0.061 0.000 1.119 352 W CA -0.366 57.001 57.345 0.036 0.000 1.240 352 W CB 1.271 30.804 29.460 0.122 0.000 1.251 352 W HN 0.217 nan 8.180 nan 0.000 0.576 353 L N 3.743 125.070 121.223 0.173 0.000 2.372 353 L HA 0.461 4.801 4.340 0.000 0.000 0.273 353 L C -1.680 175.223 176.870 0.055 0.000 0.989 353 L CA -0.768 54.167 54.840 0.159 0.000 0.841 353 L CB 0.501 42.618 42.059 0.097 0.000 1.225 353 L HN 0.307 nan 8.230 nan 0.000 0.414 354 F N 5.409 125.479 119.950 0.201 0.000 2.404 354 F HA 0.461 4.988 4.527 0.000 0.000 0.354 354 F C 0.332 176.232 175.800 0.166 0.000 1.122 354 F CA -0.316 57.792 58.000 0.179 0.000 1.080 354 F CB 1.402 40.474 39.000 0.120 0.000 1.131 354 F HN 0.229 nan 8.300 nan 0.000 0.471 355 I N 4.666 125.411 120.570 0.293 0.000 2.390 355 I HA 0.130 4.300 4.170 0.000 0.000 0.283 355 I C 0.655 176.914 176.117 0.236 0.000 1.016 355 I CA -0.564 60.886 61.300 0.251 0.000 1.151 355 I CB 1.321 39.442 38.000 0.202 0.000 1.293 355 I HN 0.613 nan 8.210 nan 0.000 0.458 356 D N 4.756 125.306 120.400 0.250 0.000 2.116 356 D HA -0.230 4.410 4.640 0.000 0.000 0.193 356 D C 0.597 176.995 176.300 0.163 0.000 0.998 356 D CA 1.594 55.717 54.000 0.204 0.000 0.836 356 D CB 0.296 41.218 40.800 0.204 0.000 0.951 356 D HN 0.495 nan 8.370 nan 0.000 0.449 357 E N -0.930 119.373 120.200 0.172 0.000 2.302 357 E HA 0.230 4.580 4.350 0.000 0.000 0.263 357 E C 0.092 176.767 176.600 0.124 0.000 0.897 357 E CA -0.599 55.878 56.400 0.128 0.000 0.809 357 E CB 1.199 30.977 29.700 0.129 0.000 1.270 357 E HN -0.038 nan 8.360 nan 0.000 0.410 358 L N 4.115 125.395 121.223 0.094 0.000 2.046 358 L HA 0.111 4.451 4.340 0.000 0.000 0.208 358 L C 1.752 178.709 176.870 0.145 0.000 1.077 358 L CA 2.638 57.544 54.840 0.110 0.000 0.747 358 L CB -0.390 41.696 42.059 0.046 0.000 0.896 358 L HN 0.713 nan 8.230 nan 0.000 0.432 359 A N -2.431 120.459 122.820 0.116 0.000 2.235 359 A HA 0.031 4.351 4.320 0.000 0.000 0.208 359 A C 2.198 179.836 177.584 0.090 0.000 1.172 359 A CA 1.080 53.193 52.037 0.127 0.000 0.786 359 A CB -0.440 18.617 19.000 0.094 0.000 0.804 359 A HN 0.449 nan 8.150 nan 0.000 0.479 360 S N -0.501 115.248 115.700 0.082 0.000 2.503 360 S HA 0.267 4.737 4.470 0.000 0.000 0.217 360 S C 0.729 175.335 174.600 0.009 0.000 0.999 360 S CA -0.099 58.131 58.200 0.050 0.000 0.914 360 S CB -0.166 63.079 63.200 0.075 0.000 0.782 360 S HN 0.501 nan 8.310 nan 0.000 0.520 361 L N 1.410 122.653 121.223 0.033 0.000 2.469 361 L HA 0.332 4.672 4.340 0.000 0.000 0.253 361 L C 0.903 177.763 176.870 -0.017 0.000 1.143 361 L CA -0.631 54.209 54.840 0.001 0.000 0.804 361 L CB 0.369 42.460 42.059 0.054 0.000 1.214 361 L HN 0.130 nan 8.230 nan 0.000 0.476 362 E N 0.260 120.429 120.200 -0.051 0.000 2.620 362 E HA 0.064 4.414 4.350 0.000 0.000 0.255 362 E C -0.484 175.994 176.600 -0.203 0.000 1.346 362 E CA -0.611 55.725 56.400 -0.107 0.000 1.013 362 E CB 0.534 30.182 29.700 -0.085 0.000 1.131 362 E HN 0.282 nan 8.360 nan 0.000 0.608 363 K N 1.992 122.177 120.400 -0.360 0.000 2.228 363 K HA 0.102 4.422 4.320 0.000 0.000 0.284 363 K C -0.419 176.016 176.600 -0.275 0.000 1.088 363 K CA -0.112 55.748 56.287 -0.712 0.000 0.941 363 K CB -0.430 31.687 32.500 -0.638 0.000 1.158 363 K HN 0.301 nan 8.250 nan 0.000 0.438 364 L N 3.723 124.918 121.223 -0.047 0.000 2.453 364 L HA 0.037 4.377 4.340 0.000 0.000 0.272 364 L C 1.439 178.376 176.870 0.111 0.000 1.182 364 L CA -0.307 54.587 54.840 0.090 0.000 0.858 364 L CB 0.985 43.148 42.059 0.172 0.000 1.120 364 L HN 0.754 nan 8.230 nan 0.000 0.474 365 A N 1.958 124.816 122.820 0.062 0.000 2.021 365 A HA -0.035 4.285 4.320 0.000 0.000 0.216 365 A C 1.945 179.561 177.584 0.052 0.000 1.163 365 A CA 1.131 53.197 52.037 0.049 0.000 0.676 365 A CB -0.058 18.954 19.000 0.020 0.000 0.818 365 A HN 0.757 nan 8.150 nan 0.000 0.453 366 S N -0.719 115.015 115.700 0.055 0.000 2.523 366 S HA 0.224 4.694 4.470 0.000 0.000 0.217 366 S C 1.517 176.137 174.600 0.033 0.000 0.996 366 S CA -0.204 58.018 58.200 0.037 0.000 0.921 366 S CB -0.017 63.203 63.200 0.032 0.000 0.829 366 S HN 0.473 nan 8.310 nan 0.000 0.495 367 L N 1.976 123.234 121.223 0.058 0.000 1.990 367 L HA -0.245 4.095 4.340 0.000 0.000 0.213 367 L C 2.672 179.516 176.870 -0.042 0.000 1.072 367 L CA 1.898 56.752 54.840 0.024 0.000 0.755 367 L CB -0.736 41.372 42.059 0.081 0.000 0.889 367 L HN 0.414 nan 8.230 nan 0.000 0.432 368 A N -0.311 122.498 122.820 -0.018 0.000 1.892 368 A HA -0.295 4.025 4.320 0.000 0.000 0.218 368 A C 1.874 179.420 177.584 -0.063 0.000 1.188 368 A CA 2.235 54.241 52.037 -0.052 0.000 0.631 368 A CB -0.765 18.227 19.000 -0.013 0.000 0.822 368 A HN 0.550 nan 8.150 nan 0.000 0.447 369 D N -0.197 120.182 120.400 -0.035 0.000 2.144 369 D HA -0.031 4.609 4.640 0.000 0.000 0.200 369 D C 2.206 178.478 176.300 -0.047 0.000 0.978 369 D CA 1.384 55.364 54.000 -0.033 0.000 0.833 369 D CB -0.361 40.429 40.800 -0.016 0.000 0.961 369 D HN 0.461 nan 8.370 nan 0.000 0.470 370 A N 0.738 123.523 122.820 -0.060 0.000 1.930 370 A HA -0.087 4.233 4.320 0.000 0.000 0.217 370 A C 2.344 179.841 177.584 -0.145 0.000 1.175 370 A CA 0.745 52.736 52.037 -0.076 0.000 0.627 370 A CB -0.620 18.340 19.000 -0.068 0.000 0.815 370 A HN 0.189 nan 8.150 nan 0.000 0.443 371 L N -1.205 119.876 121.223 -0.237 0.000 2.313 371 L HA -0.059 4.281 4.340 0.000 0.000 0.214 371 L C 2.336 179.165 176.870 -0.068 0.000 1.119 371 L CA 1.406 56.015 54.840 -0.385 0.000 0.809 371 L CB -0.250 41.484 42.059 -0.541 0.000 0.933 371 L HN 0.308 nan 8.230 nan 0.000 0.449 372 T N -1.276 113.241 114.554 -0.061 0.000 3.034 372 T HA 0.037 4.387 4.350 0.000 0.000 0.248 372 T C 1.362 176.053 174.700 -0.014 0.000 1.040 372 T CA 0.597 62.682 62.100 -0.025 0.000 1.107 372 T CB 0.290 69.137 68.868 -0.035 0.000 0.932 372 T HN 0.216 nan 8.240 nan 0.000 0.474 373 K N 0.646 121.035 120.400 -0.018 0.000 2.438 373 K HA 0.322 4.642 4.320 0.000 0.000 0.205 373 K C 1.365 177.957 176.600 -0.013 0.000 1.033 373 K CA -0.170 56.107 56.287 -0.017 0.000 1.089 373 K CB 0.982 33.471 32.500 -0.018 0.000 0.857 373 K HN 0.148 nan 8.250 nan 0.000 0.522 374 G N 0.740 109.537 108.800 -0.005 0.000 3.284 374 G HA2 -0.032 3.928 3.960 0.000 0.000 0.236 374 G HA3 -0.032 3.928 3.960 0.000 0.000 0.236 374 G C 1.062 175.950 174.900 -0.020 0.000 1.158 374 G CA -0.270 44.826 45.100 -0.007 0.000 0.774 374 G HN 0.099 nan 8.290 nan 0.000 0.545 375 R N -0.185 120.295 120.500 -0.033 0.000 2.092 375 R HA 0.010 4.350 4.340 0.000 0.000 0.231 375 R C 2.175 178.437 176.300 -0.063 0.000 1.119 375 R CA 0.872 56.932 56.100 -0.067 0.000 0.970 375 R CB 0.116 30.369 30.300 -0.078 0.000 0.864 375 R HN 0.029 nan 8.270 nan 0.000 0.440 376 K N -0.077 120.296 120.400 -0.045 0.000 2.211 376 K HA -0.008 4.312 4.320 0.000 0.000 0.203 376 K C 1.451 178.027 176.600 -0.040 0.000 1.050 376 K CA 1.321 57.584 56.287 -0.040 0.000 0.945 376 K CB -0.004 32.479 32.500 -0.028 0.000 0.732 376 K HN 0.190 nan 8.250 nan 0.000 0.451 377 A N -0.919 121.879 122.820 -0.038 0.000 2.178 377 A HA 0.303 4.623 4.320 0.000 0.000 0.211 377 A C 1.235 178.784 177.584 -0.059 0.000 1.157 377 A CA 0.757 52.772 52.037 -0.037 0.000 0.780 377 A CB -0.277 18.711 19.000 -0.020 0.000 0.828 377 A HN 0.315 nan 8.150 nan 0.000 0.476 378 G N -0.922 107.829 108.800 -0.080 0.000 2.160 378 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 378 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 378 G C 0.054 174.853 174.900 -0.167 0.000 1.022 378 G CA 0.202 45.227 45.100 -0.125 0.000 0.741 378 G HN 0.575 nan 8.290 nan 0.000 0.508 379 L N 0.182 121.336 121.223 -0.116 0.000 2.360 379 L HA 0.535 4.875 4.340 0.000 0.000 0.276 379 L C 0.432 177.220 176.870 -0.137 0.000 1.121 379 L CA -0.014 54.764 54.840 -0.104 0.000 0.845 379 L CB 0.411 42.453 42.059 -0.028 0.000 1.143 379 L HN 0.303 nan 8.230 nan 0.000 0.452 380 R N 3.961 124.283 120.500 -0.297 0.000 2.435 380 R HA 0.499 4.839 4.340 0.000 0.000 0.308 380 R C -1.149 175.066 176.300 -0.142 0.000 0.975 380 R CA -0.597 55.247 56.100 -0.426 0.000 0.867 380 R CB 2.159 31.615 30.300 -1.407 0.000 1.171 380 R HN 0.366 nan 8.270 nan 0.000 0.470 381 V N 3.820 123.838 119.914 0.173 0.000 2.435 381 V HA 0.443 4.563 4.120 0.000 0.000 0.290 381 V C -0.266 175.940 176.094 0.187 0.000 1.030 381 V CA -0.781 61.548 62.300 0.049 0.000 0.881 381 V CB 1.976 33.661 31.823 -0.229 0.000 0.983 381 V HN 0.423 nan 8.190 nan 0.000 0.445 382 V N 3.977 123.927 119.914 0.060 0.000 2.443 382 V HA 0.819 4.939 4.120 0.000 0.000 0.293 382 V C 0.079 176.254 176.094 0.135 0.000 1.021 382 V CA -0.380 61.974 62.300 0.090 0.000 0.848 382 V CB 1.554 33.275 31.823 -0.170 0.000 0.998 382 V HN 1.012 nan 8.190 nan 0.000 0.424 383 A N 3.629 126.542 122.820 0.154 0.000 2.356 383 A HA 0.904 5.224 4.320 0.000 0.000 0.310 383 A C 0.188 177.757 177.584 -0.025 0.000 1.075 383 A CA -0.178 51.902 52.037 0.071 0.000 0.746 383 A CB 1.620 20.651 19.000 0.051 0.000 1.221 383 A HN 0.990 nan 8.150 nan 0.000 0.443 384 G N -0.133 108.692 108.800 0.041 0.000 2.448 384 G HA2 0.573 4.533 3.960 0.000 0.000 0.285 384 G HA3 0.573 4.533 3.960 0.000 0.000 0.285 384 G C -1.092 173.799 174.900 -0.014 0.000 1.176 384 G CA -0.272 44.841 45.100 0.022 0.000 0.852 384 G HN 1.194 nan 8.290 nan 0.000 0.530 385 L N 0.680 121.886 121.223 -0.029 0.000 2.555 385 L HA 0.320 4.660 4.340 0.000 0.000 0.264 385 L C 1.062 177.927 176.870 -0.009 0.000 0.972 385 L CA -0.550 54.271 54.840 -0.032 0.000 0.876 385 L CB 1.725 43.729 42.059 -0.091 0.000 1.216 385 L HN 0.808 nan 8.230 nan 0.000 0.415 386 Q N 2.023 121.832 119.800 0.014 0.000 2.212 386 Q HA 0.189 4.529 4.340 0.000 0.000 0.199 386 Q C 0.106 176.114 176.000 0.013 0.000 0.950 386 Q CA 0.821 56.635 55.803 0.018 0.000 0.863 386 Q CB 0.289 29.045 28.738 0.030 0.000 0.944 386 Q HN 0.496 nan 8.270 nan 0.000 0.465 387 S N -0.686 115.023 115.700 0.014 0.000 2.733 387 S HA 0.234 4.704 4.470 0.000 0.000 0.294 387 S C 0.065 174.671 174.600 0.010 0.000 1.149 387 S CA -0.471 57.736 58.200 0.013 0.000 1.034 387 S CB 1.653 64.865 63.200 0.020 0.000 1.015 387 S HN 0.286 nan 8.310 nan 0.000 0.486 388 T N 2.980 117.535 114.554 0.002 0.000 2.867 388 T HA -0.075 4.275 4.350 0.000 0.000 0.268 388 T C 1.966 176.674 174.700 0.013 0.000 1.057 388 T CA 2.178 64.277 62.100 -0.002 0.000 1.136 388 T CB -0.295 68.567 68.868 -0.009 0.000 0.874 388 T HN 0.599 nan 8.240 nan 0.000 0.466 389 S N -0.038 115.671 115.700 0.015 0.000 2.383 389 S HA -0.117 4.353 4.470 0.000 0.000 0.227 389 S C 2.161 176.779 174.600 0.030 0.000 1.026 389 S CA 1.671 59.883 58.200 0.020 0.000 0.981 389 S CB -0.451 62.758 63.200 0.015 0.000 0.818 389 S HN 0.691 nan 8.310 nan 0.000 0.472 390 Q N -0.346 119.474 119.800 0.033 0.000 2.123 390 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 390 Q C 2.140 178.182 176.000 0.069 0.000 0.966 390 Q CA 1.236 57.065 55.803 0.043 0.000 0.845 390 Q CB -0.179 28.584 28.738 0.041 0.000 0.907 390 Q HN 0.553 nan 8.270 nan 0.000 0.439 391 L N 1.100 122.369 121.223 0.077 0.000 2.141 391 L HA -0.158 4.182 4.340 0.000 0.000 0.209 391 L C 1.451 178.413 176.870 0.154 0.000 1.094 391 L CA 1.767 56.686 54.840 0.132 0.000 0.763 391 L CB -0.288 41.809 42.059 0.064 0.000 0.908 391 L HN 0.144 nan 8.230 nan 0.000 0.437 392 D N -0.533 119.919 120.400 0.087 0.000 2.144 392 D HA -0.203 4.437 4.640 0.000 0.000 0.199 392 D C 1.752 178.098 176.300 0.076 0.000 0.984 392 D CA 1.397 55.443 54.000 0.078 0.000 0.834 392 D CB -0.082 40.744 40.800 0.043 0.000 0.955 392 D HN 0.423 nan 8.370 nan 0.000 0.465 393 D N -0.480 119.956 120.400 0.060 0.000 2.144 393 D HA -0.096 4.544 4.640 0.000 0.000 0.200 393 D C 2.015 178.330 176.300 0.026 0.000 0.978 393 D CA 0.484 54.506 54.000 0.036 0.000 0.833 393 D CB 0.296 41.111 40.800 0.026 0.000 0.961 393 D HN -0.028 nan 8.370 nan 0.000 0.470 394 V N -0.542 119.403 119.914 0.052 0.000 2.346 394 V HA -0.167 3.953 4.120 0.000 0.000 0.244 394 V C 1.582 177.606 176.094 -0.116 0.000 1.037 394 V CA 1.322 63.603 62.300 -0.031 0.000 1.029 394 V CB -0.549 31.269 31.823 -0.008 0.000 0.663 394 V HN 0.240 nan 8.190 nan 0.000 0.454 395 Y N 0.411 120.713 120.300 0.004 0.000 2.510 395 Y HA 0.507 5.057 4.550 0.000 0.000 0.273 395 Y C 1.333 177.231 175.900 -0.004 0.000 1.119 395 Y CA 0.548 58.650 58.100 0.003 0.000 1.286 395 Y CB 0.199 38.667 38.460 0.013 0.000 1.061 395 Y HN 0.370 nan 8.280 nan 0.000 0.542 396 G N -0.566 108.314 108.800 0.132 0.000 2.675 396 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 396 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 396 G C 0.356 175.302 174.900 0.077 0.000 1.215 396 G CA -0.514 44.629 45.100 0.072 0.000 0.777 396 G HN -0.053 nan 8.290 nan 0.000 0.638 397 V N 2.110 122.051 119.914 0.045 0.000 2.287 397 V HA -0.214 3.906 4.120 0.000 0.000 0.248 397 V C 3.017 179.129 176.094 0.031 0.000 1.053 397 V CA 2.653 64.974 62.300 0.035 0.000 1.027 397 V CB -0.539 31.296 31.823 0.021 0.000 0.646 397 V HN 0.762 nan 8.190 nan 0.000 0.447 398 K N 0.128 120.545 120.400 0.029 0.000 1.985 398 K HA -0.216 4.104 4.320 0.000 0.000 0.210 398 K C 2.158 178.775 176.600 0.028 0.000 1.047 398 K CA 1.905 58.206 56.287 0.023 0.000 0.932 398 K CB -0.548 31.963 32.500 0.018 0.000 0.716 398 K HN 0.607 nan 8.250 nan 0.000 0.439 399 E N 0.400 120.630 120.200 0.050 0.000 2.153 399 E HA -0.116 4.234 4.350 0.000 0.000 0.194 399 E C 1.784 178.395 176.600 0.020 0.000 0.988 399 E CA 0.895 57.332 56.400 0.061 0.000 0.811 399 E CB 0.030 29.808 29.700 0.129 0.000 0.746 399 E HN 0.299 nan 8.360 nan 0.000 0.466 400 A N 0.742 123.584 122.820 0.036 0.000 1.930 400 A HA -0.231 4.089 4.320 0.000 0.000 0.217 400 A C 2.109 179.668 177.584 -0.042 0.000 1.175 400 A CA 1.519 53.535 52.037 -0.035 0.000 0.627 400 A CB -0.497 18.525 19.000 0.036 0.000 0.815 400 A HN 0.378 nan 8.150 nan 0.000 0.443 401 Q N -0.698 119.098 119.800 -0.007 0.000 2.046 401 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 401 Q C 1.995 177.996 176.000 0.002 0.000 0.975 401 Q CA 2.017 57.819 55.803 -0.001 0.000 0.836 401 Q CB -0.266 28.475 28.738 0.006 0.000 0.896 401 Q HN 0.580 nan 8.270 nan 0.000 0.428 402 T N 1.674 116.226 114.554 -0.002 0.000 2.720 402 T HA -0.168 4.182 4.350 0.000 0.000 0.268 402 T C 1.720 176.417 174.700 -0.004 0.000 1.037 402 T CA 1.215 63.315 62.100 -0.001 0.000 1.144 402 T CB -0.274 68.592 68.868 -0.003 0.000 0.864 402 T HN 0.204 nan 8.240 nan 0.000 0.444 403 L N 1.333 122.533 121.223 -0.040 0.000 1.994 403 L HA -0.021 4.319 4.340 0.000 0.000 0.208 403 L C 2.503 179.446 176.870 0.122 0.000 1.071 403 L CA 1.732 56.547 54.840 -0.043 0.000 0.745 403 L CB -0.452 41.461 42.059 -0.245 0.000 0.892 403 L HN 0.074 nan 8.230 nan 0.000 0.431 404 R N -0.578 119.969 120.500 0.079 0.000 2.105 404 R HA -0.098 4.242 4.340 0.000 0.000 0.239 404 R C 2.082 178.506 176.300 0.207 0.000 1.135 404 R CA 1.194 57.373 56.100 0.130 0.000 0.967 404 R CB -0.673 29.631 30.300 0.008 0.000 0.861 404 R HN 0.505 nan 8.270 nan 0.000 0.442 405 A N 0.454 123.344 122.820 0.116 0.000 2.172 405 A HA -0.041 4.279 4.320 0.000 0.000 0.216 405 A C 1.837 179.480 177.584 0.098 0.000 1.154 405 A CA 1.023 53.116 52.037 0.093 0.000 0.701 405 A CB -0.065 18.962 19.000 0.046 0.000 0.789 405 A HN 0.160 nan 8.150 nan 0.000 0.465 406 S N -0.864 114.896 115.700 0.100 0.000 2.562 406 S HA 0.223 4.693 4.470 0.000 0.000 0.221 406 S C -0.244 174.313 174.600 -0.072 0.000 0.975 406 S CA 0.004 58.193 58.200 -0.019 0.000 0.918 406 S CB -0.261 62.858 63.200 -0.135 0.000 0.772 406 S HN 0.452 nan 8.310 nan 0.000 0.531 407 F N 1.836 121.824 119.950 0.063 0.000 2.404 407 F HA 0.441 4.968 4.527 0.000 0.000 0.354 407 F C 1.284 177.126 175.800 0.070 0.000 1.122 407 F CA -0.934 57.128 58.000 0.104 0.000 1.080 407 F CB 0.948 39.990 39.000 0.069 0.000 1.131 407 F HN -0.223 nan 8.300 nan 0.000 0.471 408 R N 0.601 121.212 120.500 0.186 0.000 2.210 408 R HA 0.160 4.500 4.340 0.000 0.000 0.203 408 R C 0.052 176.436 176.300 0.139 0.000 1.010 408 R CA 0.207 56.380 56.100 0.121 0.000 1.008 408 R CB -0.108 30.223 30.300 0.051 0.000 0.923 408 R HN 0.390 nan 8.270 nan 0.000 0.469 409 S N 0.853 116.662 115.700 0.182 0.000 2.501 409 S HA 0.554 5.024 4.470 0.000 0.000 0.301 409 S C -0.749 173.918 174.600 0.110 0.000 1.096 409 S CA -0.673 57.623 58.200 0.161 0.000 1.063 409 S CB 2.032 65.381 63.200 0.249 0.000 1.042 409 S HN 0.078 nan 8.310 nan 0.000 0.494 410 L N 2.912 124.149 121.223 0.022 0.000 2.371 410 L HA 0.861 5.201 4.340 0.000 0.000 0.262 410 L C -1.622 175.212 176.870 -0.060 0.000 1.006 410 L CA -0.500 54.335 54.840 -0.008 0.000 0.818 410 L CB 1.936 43.995 42.059 0.000 0.000 1.354 410 L HN 0.457 nan 8.230 nan 0.000 0.415 411 V N 4.073 123.965 119.914 -0.037 0.000 2.623 411 V HA 0.549 4.669 4.120 0.000 0.000 0.304 411 V C -0.945 175.156 176.094 0.010 0.000 1.054 411 V CA -0.646 61.638 62.300 -0.027 0.000 0.882 411 V CB 2.052 33.861 31.823 -0.024 0.000 1.002 411 V HN 0.528 nan 8.190 nan 0.000 0.424 412 V N 6.308 126.257 119.914 0.059 0.000 2.357 412 V HA 0.342 4.462 4.120 0.000 0.000 0.284 412 V C 0.214 176.379 176.094 0.118 0.000 1.018 412 V CA -0.169 62.179 62.300 0.080 0.000 0.841 412 V CB 1.529 33.400 31.823 0.081 0.000 0.991 412 V HN 0.716 nan 8.190 nan 0.000 0.437 413 L N 4.041 125.307 121.223 0.071 0.000 2.607 413 L HA 0.554 4.894 4.340 0.000 0.000 0.228 413 L C 1.159 178.070 176.870 0.068 0.000 1.123 413 L CA 0.916 55.793 54.840 0.062 0.000 0.890 413 L CB -0.591 41.491 42.059 0.038 0.000 1.103 413 L HN 0.971 nan 8.230 nan 0.000 0.468 414 G N -1.156 107.689 108.800 0.074 0.000 2.722 414 G HA2 0.094 4.054 3.960 0.000 0.000 0.686 414 G HA3 0.094 4.054 3.960 0.000 0.000 0.686 414 G C 0.205 175.127 174.900 0.037 0.000 1.282 414 G CA -0.609 44.528 45.100 0.062 0.000 0.817 414 G HN 0.489 nan 8.290 nan 0.000 0.605 415 G N -0.356 108.460 108.800 0.027 0.000 2.525 415 G HA2 0.761 4.721 3.960 0.000 0.000 0.287 415 G HA3 0.761 4.721 3.960 0.000 0.000 0.287 415 G C 0.587 175.499 174.900 0.019 0.000 1.350 415 G CA 0.823 45.934 45.100 0.019 0.000 1.039 415 G HN 1.778 nan 8.290 nan 0.000 0.513 416 S N -1.623 114.086 115.700 0.015 0.000 2.646 416 S HA 0.213 4.683 4.470 0.000 0.000 0.276 416 S C 1.712 176.319 174.600 0.012 0.000 1.222 416 S CA -0.494 57.715 58.200 0.014 0.000 1.014 416 S CB 0.889 64.096 63.200 0.012 0.000 0.991 416 S HN 0.657 nan 8.310 nan 0.000 0.533 417 R N 1.051 121.558 120.500 0.011 0.000 2.316 417 R HA -0.015 4.325 4.340 0.000 0.000 0.202 417 R C 1.106 177.410 176.300 0.007 0.000 1.029 417 R CA 1.398 57.503 56.100 0.009 0.000 1.018 417 R CB -1.241 29.064 30.300 0.008 0.000 0.888 417 R HN 0.683 nan 8.270 nan 0.000 0.471 418 T N -2.826 111.732 114.554 0.007 0.000 3.129 418 T HA -0.005 4.345 4.350 0.000 0.000 0.251 418 T C 0.261 174.965 174.700 0.006 0.000 1.117 418 T CA 0.186 62.290 62.100 0.007 0.000 1.034 418 T CB 0.193 69.065 68.868 0.007 0.000 0.968 418 T HN 0.079 nan 8.240 nan 0.000 0.526 419 D N 2.009 122.413 120.400 0.007 0.000 2.607 419 D HA 0.284 4.924 4.640 0.000 0.000 0.318 419 D C -1.608 174.695 176.300 0.004 0.000 1.212 419 D CA -2.436 51.567 54.000 0.006 0.000 0.861 419 D CB 1.288 42.092 40.800 0.007 0.000 1.064 419 D HN 0.053 nan 8.370 nan 0.000 0.500 420 P HA -0.179 nan 4.420 nan 0.000 0.219 420 P C 1.361 178.660 177.300 -0.002 0.000 1.146 420 P CA 0.712 63.812 63.100 0.001 0.000 0.808 420 P CB 0.586 32.286 31.700 0.001 0.000 0.779 421 K N -0.186 120.214 120.400 -0.001 0.000 2.057 421 K HA -0.072 4.248 4.320 0.000 0.000 0.206 421 K C 1.974 178.572 176.600 -0.004 0.000 1.050 421 K CA 1.622 57.908 56.287 -0.002 0.000 0.935 421 K CB -0.396 32.104 32.500 -0.000 0.000 0.715 421 K HN -0.022 nan 8.250 nan 0.000 0.439 422 T N 1.419 115.971 114.554 -0.002 0.000 2.857 422 T HA -0.044 4.306 4.350 0.000 0.000 0.266 422 T C 1.462 176.158 174.700 -0.007 0.000 1.048 422 T CA 1.093 63.191 62.100 -0.003 0.000 1.139 422 T CB -0.206 68.663 68.868 0.000 0.000 0.874 422 T HN 0.293 nan 8.240 nan 0.000 0.455 423 N N 1.199 119.896 118.700 -0.005 0.000 2.223 423 N HA -0.100 4.640 4.740 0.000 0.000 0.185 423 N C 1.926 177.425 175.510 -0.018 0.000 1.016 423 N CA 1.016 54.061 53.050 -0.009 0.000 0.863 423 N CB -0.284 38.201 38.487 -0.003 0.000 0.983 423 N HN 0.464 nan 8.380 nan 0.000 0.429 424 E N 1.406 121.597 120.200 -0.015 0.000 2.106 424 E HA -0.150 4.200 4.350 0.000 0.000 0.192 424 E C 1.441 178.027 176.600 -0.023 0.000 0.984 424 E CA 1.106 57.494 56.400 -0.019 0.000 0.806 424 E CB -0.308 29.384 29.700 -0.013 0.000 0.750 424 E HN 0.142 nan 8.360 nan 0.000 0.458 425 D N -0.234 120.155 120.400 -0.019 0.000 2.097 425 D HA -0.156 4.484 4.640 0.000 0.000 0.195 425 D C 1.920 178.203 176.300 -0.028 0.000 0.989 425 D CA 1.551 55.540 54.000 -0.019 0.000 0.827 425 D CB -0.140 40.651 40.800 -0.014 0.000 0.966 425 D HN 0.311 nan 8.370 nan 0.000 0.456 426 M N -0.322 119.260 119.600 -0.031 0.000 2.175 426 M HA -0.102 4.378 4.480 0.000 0.000 0.264 426 M C 2.439 178.697 176.300 -0.071 0.000 1.063 426 M CA 1.037 56.311 55.300 -0.043 0.000 1.119 426 M CB -0.240 32.339 32.600 -0.034 0.000 1.377 426 M HN -0.051 nan 8.290 nan 0.000 0.415 427 S N 0.968 116.625 115.700 -0.070 0.000 2.356 427 S HA -0.123 4.347 4.470 0.000 0.000 0.223 427 S C 1.862 176.417 174.600 -0.076 0.000 1.032 427 S CA 1.040 59.187 58.200 -0.090 0.000 1.005 427 S CB -0.271 62.889 63.200 -0.066 0.000 0.867 427 S HN 0.496 nan 8.310 nan 0.000 0.449 428 L N 0.951 122.143 121.223 -0.052 0.000 2.046 428 L HA -0.080 4.260 4.340 0.000 0.000 0.208 428 L C 2.451 179.297 176.870 -0.039 0.000 1.077 428 L CA 1.702 56.517 54.840 -0.040 0.000 0.747 428 L CB -0.755 41.288 42.059 -0.028 0.000 0.896 428 L HN 0.373 nan 8.230 nan 0.000 0.432 429 S N 0.020 115.697 115.700 -0.039 0.000 2.368 429 S HA -0.169 4.301 4.470 0.000 0.000 0.225 429 S C 1.769 176.346 174.600 -0.039 0.000 1.030 429 S CA 0.973 59.154 58.200 -0.031 0.000 0.999 429 S CB -0.203 62.980 63.200 -0.029 0.000 0.844 429 S HN 0.229 nan 8.310 nan 0.000 0.459 430 L N 0.853 122.034 121.223 -0.069 0.000 2.131 430 L HA 0.144 4.484 4.340 0.000 0.000 0.210 430 L C 1.457 178.292 176.870 -0.059 0.000 1.092 430 L CA 1.575 56.363 54.840 -0.086 0.000 0.759 430 L CB -1.824 40.128 42.059 -0.179 0.000 0.903 430 L HN 0.501 nan 8.230 nan 0.000 0.435 431 G N -0.729 108.036 108.800 -0.059 0.000 2.707 431 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 431 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 431 G C -0.389 174.469 174.900 -0.070 0.000 1.315 431 G CA -0.574 44.499 45.100 -0.044 0.000 0.832 431 G HN 0.193 nan 8.290 nan 0.000 0.573 432 E N -0.244 119.922 120.200 -0.058 0.000 2.254 432 E HA 0.668 5.018 4.350 0.000 0.000 0.258 432 E C 0.277 176.855 176.600 -0.037 0.000 1.033 432 E CA -0.574 55.770 56.400 -0.092 0.000 0.893 432 E CB 1.385 31.050 29.700 -0.058 0.000 1.204 432 E HN 0.818 nan 8.360 nan 0.000 0.425 433 H N -1.525 117.461 119.070 -0.139 0.000 2.928 433 H HA 0.531 5.087 4.556 0.000 0.000 0.371 433 H C -1.196 173.925 175.328 -0.345 0.000 1.186 433 H CA -1.027 54.879 56.048 -0.237 0.000 1.134 433 H CB 2.016 31.653 29.762 -0.208 0.000 1.824 433 H HN 0.406 nan 8.280 nan 0.000 0.554 434 E N 2.169 122.147 120.200 -0.371 0.000 2.171 434 E HA 0.503 4.853 4.350 0.000 0.000 0.271 434 E C -1.531 174.663 176.600 -0.676 0.000 0.916 434 E CA -0.884 55.284 56.400 -0.387 0.000 0.774 434 E CB 2.105 31.629 29.700 -0.294 0.000 1.128 434 E HN 0.420 nan 8.360 nan 0.000 0.403 435 V N 3.255 122.825 119.914 -0.573 0.000 3.114 435 V HA 0.331 4.451 4.120 0.000 0.000 0.308 435 V C -1.068 174.850 176.094 -0.293 0.000 1.168 435 V CA -0.839 61.081 62.300 -0.635 0.000 1.015 435 V CB 2.423 33.556 31.823 -1.150 0.000 1.050 435 V HN 0.726 nan 8.190 nan 0.000 0.433 436 E N 2.289 122.400 120.200 -0.149 0.000 2.171 436 E HA 0.631 4.981 4.350 0.000 0.000 0.271 436 E C -0.878 175.757 176.600 0.058 0.000 0.916 436 E CA -0.664 55.715 56.400 -0.035 0.000 0.774 436 E CB 2.649 32.342 29.700 -0.012 0.000 1.128 436 E HN 0.386 nan 8.360 nan 0.000 0.403 437 R N 1.342 121.875 120.500 0.056 0.000 2.854 437 R HA 0.260 4.600 4.340 0.000 0.000 0.271 437 R C -1.175 175.164 176.300 0.066 0.000 0.994 437 R CA -0.910 55.251 56.100 0.100 0.000 0.945 437 R CB 1.474 31.847 30.300 0.122 0.000 1.194 437 R HN 0.442 nan 8.270 nan 0.000 0.476 438 D N 2.614 123.055 120.400 0.068 0.000 2.325 438 D HA 0.329 4.969 4.640 0.000 0.000 0.251 438 D C 0.129 176.456 176.300 0.045 0.000 1.196 438 D CA 0.417 54.446 54.000 0.047 0.000 0.866 438 D CB 0.655 41.480 40.800 0.042 0.000 1.101 438 D HN 0.250 nan 8.370 nan 0.000 0.476 454 L N 1.664 122.893 121.223 0.010 0.000 2.334 454 L HA 0.719 5.059 4.340 0.000 0.000 0.272 454 L C 0.258 177.132 176.870 0.006 0.000 1.020 454 L CA -0.641 54.207 54.840 0.012 0.000 0.812 454 L CB 2.106 44.171 42.059 0.011 0.000 1.264 454 L HN 0.941 nan 8.230 nan 0.000 0.439 455 E N 1.625 121.830 120.200 0.007 0.000 2.222 455 E HA 0.534 4.884 4.350 0.000 0.000 0.267 455 E C -1.020 175.569 176.600 -0.019 0.000 0.884 455 E CA -1.035 55.364 56.400 -0.001 0.000 0.764 455 E CB 2.036 31.741 29.700 0.008 0.000 1.169 455 E HN 0.338 nan 8.360 nan 0.000 0.413 456 R N 2.018 122.498 120.500 -0.033 0.000 2.221 456 R HA 0.469 4.809 4.340 0.000 0.000 0.327 456 R C -1.220 175.044 176.300 -0.060 0.000 1.033 456 R CA -0.345 55.718 56.100 -0.062 0.000 0.887 456 R CB 1.469 31.731 30.300 -0.062 0.000 1.057 456 R HN 0.455 nan 8.270 nan 0.000 0.455 457 V N 4.025 123.888 119.914 -0.086 0.000 2.841 457 V HA 0.479 4.599 4.120 0.000 0.000 0.310 457 V C -0.333 175.714 176.094 -0.078 0.000 1.090 457 V CA -0.941 61.323 62.300 -0.059 0.000 0.930 457 V CB 2.312 34.123 31.823 -0.020 0.000 1.014 457 V HN 0.692 nan 8.190 nan 0.000 0.425 458 R N 3.001 123.478 120.500 -0.039 0.000 2.346 458 R HA 0.727 5.067 4.340 0.000 0.000 0.311 458 R C -0.716 175.595 176.300 0.018 0.000 0.983 458 R CA -0.482 55.605 56.100 -0.022 0.000 0.880 458 R CB 1.635 31.915 30.300 -0.034 0.000 1.100 458 R HN 0.942 nan 8.270 nan 0.000 0.453 459 E N 2.021 122.246 120.200 0.043 0.000 2.423 459 E HA 0.368 4.718 4.350 0.000 0.000 0.280 459 E C -1.065 175.470 176.600 -0.108 0.000 1.030 459 E CA -1.255 55.153 56.400 0.013 0.000 0.812 459 E CB 1.104 30.869 29.700 0.108 0.000 1.313 459 E HN 0.071 nan 8.360 nan 0.000 0.456 460 R N 1.015 121.476 120.500 -0.065 0.000 2.442 460 R HA 0.122 4.462 4.340 0.000 0.000 0.291 460 R C 0.890 177.123 176.300 -0.112 0.000 1.069 460 R CA -0.112 55.931 56.100 -0.095 0.000 1.022 460 R CB 0.926 31.198 30.300 -0.047 0.000 0.976 460 R HN 0.523 nan 8.270 nan 0.000 0.443 461 V N 2.813 122.605 119.914 -0.204 0.000 2.407 461 V HA -0.119 4.001 4.120 0.000 0.000 0.248 461 V C 0.934 177.096 176.094 0.113 0.000 1.055 461 V CA 1.390 63.625 62.300 -0.108 0.000 1.049 461 V CB 0.042 31.791 31.823 -0.123 0.000 0.662 461 V HN 0.392 nan 8.190 nan 0.000 0.455 462 V N 0.802 120.685 119.914 -0.051 0.000 2.447 462 V HA 0.365 4.485 4.120 0.000 0.000 0.292 462 V C -0.162 175.878 176.094 -0.091 0.000 1.021 462 V CA -0.477 61.756 62.300 -0.112 0.000 0.850 462 V CB 1.562 33.152 31.823 -0.388 0.000 1.005 462 V HN 0.242 nan 8.190 nan 0.000 0.426 463 M N 5.492 125.065 119.600 -0.046 0.000 2.245 463 M HA 0.194 4.674 4.480 0.000 0.000 0.330 463 M C -1.341 174.936 176.300 -0.038 0.000 1.098 463 M CA -1.067 54.212 55.300 -0.034 0.000 1.172 463 M CB 1.062 33.649 32.600 -0.021 0.000 1.467 463 M HN 0.324 nan 8.290 nan 0.000 0.454 464 P HA -0.122 nan 4.420 nan 0.000 0.216 464 P C 0.714 178.008 177.300 -0.010 0.000 1.150 464 P CA 1.506 64.592 63.100 -0.023 0.000 0.837 464 P CB -0.001 31.688 31.700 -0.018 0.000 0.786 465 A N -0.060 122.756 122.820 -0.007 0.000 1.969 465 A HA -0.212 4.108 4.320 0.000 0.000 0.218 465 A C 2.069 179.659 177.584 0.009 0.000 1.169 465 A CA 1.465 53.502 52.037 0.001 0.000 0.635 465 A CB -1.062 17.937 19.000 -0.002 0.000 0.810 465 A HN 0.200 nan 8.150 nan 0.000 0.445 466 E N -0.349 119.857 120.200 0.010 0.000 2.150 466 E HA -0.090 4.260 4.350 0.000 0.000 0.193 466 E C 1.727 178.369 176.600 0.071 0.000 0.985 466 E CA 0.978 57.400 56.400 0.037 0.000 0.814 466 E CB -0.214 29.511 29.700 0.042 0.000 0.752 466 E HN 0.715 nan 8.360 nan 0.000 0.466 467 I N 0.915 121.514 120.570 0.048 0.000 2.439 467 I HA -0.156 4.014 4.170 0.000 0.000 0.251 467 I C 2.422 178.571 176.117 0.054 0.000 1.139 467 I CA 0.599 61.940 61.300 0.068 0.000 1.438 467 I CB -0.162 37.849 38.000 0.019 0.000 1.085 467 I HN 0.042 nan 8.210 nan 0.000 0.427 468 A N 0.429 123.268 122.820 0.031 0.000 2.066 468 A HA -0.078 4.242 4.320 0.000 0.000 0.218 468 A C 1.758 179.357 177.584 0.026 0.000 1.157 468 A CA 1.178 53.230 52.037 0.024 0.000 0.670 468 A CB -0.351 18.657 19.000 0.014 0.000 0.804 468 A HN 0.408 nan 8.150 nan 0.000 0.453 469 N N -0.339 118.379 118.700 0.031 0.000 2.203 469 N HA 0.177 4.917 4.740 0.000 0.000 0.207 469 N C -0.243 175.287 175.510 0.032 0.000 1.130 469 N CA -0.103 52.963 53.050 0.026 0.000 0.861 469 N CB 0.346 38.845 38.487 0.020 0.000 1.005 469 N HN 0.379 nan 8.380 nan 0.000 0.507 470 L N 3.798 125.051 121.223 0.049 0.000 2.513 470 L HA 0.087 4.427 4.340 0.000 0.000 0.272 470 L C -1.657 175.227 176.870 0.023 0.000 1.187 470 L CA -0.827 54.043 54.840 0.050 0.000 0.895 470 L CB 0.441 42.550 42.059 0.083 0.000 1.147 470 L HN -0.104 nan 8.230 nan 0.000 0.483 471 P HA 0.091 nan 4.420 nan 0.000 0.272 471 P C -0.953 176.347 177.300 -0.001 0.000 1.223 471 P CA -0.531 62.569 63.100 0.001 0.000 0.784 471 P CB 0.794 32.489 31.700 -0.008 0.000 0.923 472 D N 0.750 121.151 120.400 0.002 0.000 2.368 472 D HA 0.164 4.804 4.640 0.000 0.000 0.240 472 D C 0.932 177.231 176.300 -0.002 0.000 1.169 472 D CA 0.111 54.113 54.000 0.004 0.000 0.906 472 D CB -0.031 40.773 40.800 0.007 0.000 1.187 472 D HN 0.357 nan 8.370 nan 0.000 0.435 473 L N -0.525 120.700 121.223 0.002 0.000 4.089 473 L HA -0.232 4.108 4.340 0.000 0.000 0.408 473 L C -0.460 176.401 176.870 -0.016 0.000 1.184 473 L CA 0.429 55.269 54.840 0.000 0.000 0.947 473 L CB -2.008 40.053 42.059 0.002 0.000 2.066 473 L HN 0.403 nan 8.230 nan 0.000 0.851 474 T N -0.264 114.273 114.554 -0.029 0.000 2.848 474 T HA 0.805 5.155 4.350 0.000 0.000 0.285 474 T C -0.007 174.643 174.700 -0.083 0.000 0.995 474 T CA 0.151 62.207 62.100 -0.073 0.000 0.970 474 T CB 2.167 70.981 68.868 -0.091 0.000 0.976 474 T HN 0.357 nan 8.240 nan 0.000 0.441 475 A N 2.435 125.179 122.820 -0.127 0.000 2.498 475 A HA 0.805 5.125 4.320 0.000 0.000 0.298 475 A C -1.952 175.522 177.584 -0.184 0.000 1.075 475 A CA -0.749 51.233 52.037 -0.091 0.000 0.714 475 A CB 1.176 20.161 19.000 -0.026 0.000 1.299 475 A HN 0.780 nan 8.150 nan 0.000 0.407 476 Y N 0.647 120.934 120.300 -0.021 0.000 2.331 476 Y HA 0.477 5.027 4.550 0.000 0.000 0.338 476 Y C 0.019 175.877 175.900 -0.070 0.000 0.976 476 Y CA -0.272 57.811 58.100 -0.027 0.000 1.137 476 Y CB 1.962 40.413 38.460 -0.014 0.000 1.172 476 Y HN 0.379 nan 8.280 nan 0.000 0.478 477 V N 3.202 123.133 119.914 0.028 0.000 2.370 477 V HA 0.644 4.764 4.120 0.000 0.000 0.283 477 V C 0.287 176.276 176.094 -0.176 0.000 1.023 477 V CA -0.675 61.530 62.300 -0.158 0.000 0.857 477 V CB 1.339 33.011 31.823 -0.252 0.000 0.985 477 V HN 0.931 nan 8.190 nan 0.000 0.443 478 G N 4.317 112.982 108.800 -0.224 0.000 3.114 478 G HA2 0.573 4.533 3.960 0.000 0.000 0.320 478 G HA3 0.573 4.533 3.960 0.000 0.000 0.320 478 G C -0.745 174.085 174.900 -0.117 0.000 1.453 478 G CA -0.300 44.733 45.100 -0.111 0.000 1.084 478 G HN 0.353 nan 8.290 nan 0.000 0.516 479 F N 1.717 121.706 119.950 0.065 0.000 2.444 479 F HA 0.499 5.026 4.527 0.000 0.000 0.331 479 F C 1.309 177.136 175.800 0.046 0.000 1.167 479 F CA 0.026 58.060 58.000 0.058 0.000 1.262 479 F CB 0.953 39.984 39.000 0.051 0.000 1.196 479 F HN 0.543 nan 8.300 nan 0.000 0.583 480 A N 1.421 124.403 122.820 0.270 0.000 2.492 480 A HA 0.483 4.803 4.320 0.000 0.000 0.236 480 A C 0.838 178.490 177.584 0.113 0.000 1.078 480 A CA 0.372 52.496 52.037 0.145 0.000 0.773 480 A CB -0.835 18.226 19.000 0.102 0.000 1.023 480 A HN 1.638 nan 8.150 nan 0.000 0.504 481 G N 0.521 109.365 108.800 0.074 0.000 2.584 481 G HA2 -0.195 3.765 3.960 0.000 0.000 0.229 481 G HA3 -0.195 3.765 3.960 0.000 0.000 0.229 481 G C 0.014 174.951 174.900 0.062 0.000 1.320 481 G CA 0.252 45.385 45.100 0.055 0.000 0.891 481 G HN 1.618 nan 8.290 nan 0.000 0.573 482 N N 1.612 120.342 118.700 0.049 0.000 3.124 482 N HA 0.353 5.093 4.740 0.000 0.000 0.284 482 N C 0.175 175.716 175.510 0.052 0.000 1.209 482 N CA 0.018 53.097 53.050 0.049 0.000 1.149 482 N CB -0.175 38.334 38.487 0.037 0.000 1.434 482 N HN 0.562 nan 8.380 nan 0.000 0.529 483 R N 1.834 122.379 120.500 0.076 0.000 2.750 483 R HA 0.547 4.887 4.340 0.000 0.000 0.281 483 R C -2.433 173.917 176.300 0.083 0.000 0.972 483 R CA -1.574 54.581 56.100 0.092 0.000 0.912 483 R CB 1.232 31.631 30.300 0.165 0.000 1.187 483 R HN 0.367 nan 8.270 nan 0.000 0.464 484 P HA 0.327 nan 4.420 nan 0.000 0.276 484 P C -0.016 177.336 177.300 0.087 0.000 1.261 484 P CA -0.497 62.633 63.100 0.051 0.000 0.800 484 P CB 0.788 32.498 31.700 0.016 0.000 1.066 485 I N -2.591 118.032 120.570 0.089 0.000 2.924 485 I HA 0.840 5.010 4.170 0.000 0.000 0.316 485 I C -0.682 175.518 176.117 0.138 0.000 1.014 485 I CA -1.294 60.070 61.300 0.107 0.000 1.106 485 I CB 1.747 39.814 38.000 0.113 0.000 1.311 485 I HN 0.389 nan 8.210 nan 0.000 0.502 486 A N 2.956 125.864 122.820 0.146 0.000 2.547 486 A HA 0.497 4.817 4.320 0.000 0.000 0.297 486 A C -1.104 176.512 177.584 0.053 0.000 1.056 486 A CA -0.834 51.275 52.037 0.119 0.000 0.688 486 A CB 1.593 20.639 19.000 0.077 0.000 1.282 486 A HN 0.793 nan 8.150 nan 0.000 0.400 487 K N 2.038 122.406 120.400 -0.054 0.000 2.267 487 K HA 0.582 4.902 4.320 0.000 0.000 0.282 487 K C -1.279 175.201 176.600 -0.201 0.000 1.078 487 K CA -0.139 55.913 56.287 -0.391 0.000 0.903 487 K CB 0.627 32.846 32.500 -0.469 0.000 1.111 487 K HN 0.465 nan 8.250 nan 0.000 0.475 488 V N 6.471 126.273 119.914 -0.186 0.000 2.823 488 V HA 0.506 4.626 4.120 0.000 0.000 0.312 488 V C -2.276 173.765 176.094 -0.088 0.000 1.072 488 V CA -1.875 60.370 62.300 -0.092 0.000 0.937 488 V CB 1.863 33.665 31.823 -0.036 0.000 1.013 488 V HN 0.847 nan 8.190 nan 0.000 0.430 489 P HA 0.444 nan 4.420 nan 0.000 0.286 489 P C -1.171 176.121 177.300 -0.013 0.000 1.261 489 P CA -0.486 62.591 63.100 -0.039 0.000 0.821 489 P CB 1.705 33.387 31.700 -0.030 0.000 1.013 490 L N 2.443 123.663 121.223 -0.005 0.000 2.312 490 L HA 0.309 4.649 4.340 0.000 0.000 0.281 490 L C 1.089 177.970 176.870 0.019 0.000 1.070 490 L CA -0.496 54.354 54.840 0.017 0.000 0.805 490 L CB 0.826 42.899 42.059 0.023 0.000 1.174 490 L HN 0.433 nan 8.230 nan 0.000 0.434 491 E N 4.188 124.407 120.200 0.031 0.000 2.151 491 E HA 0.336 4.686 4.350 0.000 0.000 0.275 491 E C -0.669 175.950 176.600 0.031 0.000 0.936 491 E CA -0.614 55.799 56.400 0.022 0.000 0.777 491 E CB 1.735 31.447 29.700 0.019 0.000 1.108 491 E HN 0.490 nan 8.360 nan 0.000 0.401 492 I N 3.653 124.232 120.570 0.015 0.000 2.268 492 I HA 0.036 4.206 4.170 0.000 0.000 0.298 492 I C 0.701 176.806 176.117 -0.020 0.000 1.185 492 I CA -0.198 61.115 61.300 0.022 0.000 1.548 492 I CB -0.378 37.629 38.000 0.012 0.000 1.492 492 I HN 0.459 nan 8.210 nan 0.000 0.711 493 K N 4.231 124.610 120.400 -0.034 0.000 2.380 493 K HA 0.076 4.396 4.320 0.000 0.000 0.267 493 K C -0.076 176.313 176.600 -0.352 0.000 0.990 493 K CA -0.269 55.877 56.287 -0.235 0.000 0.946 493 K CB 0.706 32.990 32.500 -0.359 0.000 0.937 493 K HN 0.355 nan 8.250 nan 0.000 0.491 494 Q N 2.836 122.356 119.800 -0.467 0.000 2.271 494 Q HA 0.316 4.656 4.340 0.000 0.000 0.258 494 Q C -1.145 174.490 176.000 -0.608 0.000 0.936 494 Q CA -0.185 55.404 55.803 -0.357 0.000 0.909 494 Q CB 1.106 29.723 28.738 -0.202 0.000 1.253 494 Q HN 0.412 nan 8.270 nan 0.000 0.440 495 F N 0.405 120.270 119.950 -0.142 0.000 2.507 495 F HA 0.589 5.116 4.527 0.000 0.000 0.325 495 F C 0.343 176.040 175.800 -0.172 0.000 1.116 495 F CA -1.078 56.813 58.000 -0.183 0.000 0.930 495 F CB 1.613 40.445 39.000 -0.278 0.000 1.146 495 F HN 0.482 nan 8.300 nan 0.000 0.447 496 A N 2.521 125.351 122.820 0.016 0.000 2.354 496 A HA 0.327 4.647 4.320 0.000 0.000 0.269 496 A C -0.114 177.436 177.584 -0.056 0.000 1.109 496 A CA -0.700 51.321 52.037 -0.027 0.000 0.800 496 A CB 0.060 19.045 19.000 -0.025 0.000 1.045 496 A HN 0.895 nan 8.150 nan 0.000 0.489 497 N N 1.089 119.745 118.700 -0.074 0.000 2.406 497 N HA 0.070 4.810 4.740 0.000 0.000 0.274 497 N C 0.806 176.264 175.510 -0.086 0.000 1.249 497 N CA -0.081 52.907 53.050 -0.103 0.000 0.951 497 N CB 0.430 38.862 38.487 -0.091 0.000 1.241 497 N HN 0.682 nan 8.380 nan 0.000 0.485 498 R N 2.526 122.965 120.500 -0.102 0.000 2.356 498 R HA 0.082 4.422 4.340 0.000 0.000 0.234 498 R C -0.220 176.028 176.300 -0.087 0.000 0.929 498 R CA 0.423 56.480 56.100 -0.070 0.000 1.084 498 R CB 0.222 30.495 30.300 -0.045 0.000 1.105 498 R HN 0.644 nan 8.270 nan 0.000 0.515 499 Q N 0.022 119.755 119.800 -0.112 0.000 2.849 499 Q HA 0.199 4.539 4.340 0.000 0.000 0.267 499 Q C -2.878 173.048 176.000 -0.123 0.000 0.957 499 Q CA -1.538 54.194 55.803 -0.118 0.000 0.856 499 Q CB 1.950 30.597 28.738 -0.152 0.000 1.740 499 Q HN 0.023 nan 8.270 nan 0.000 0.441 500 P HA 0.117 nan 4.420 nan 0.000 0.275 500 P C -0.386 176.859 177.300 -0.092 0.000 1.227 500 P CA 0.329 63.376 63.100 -0.088 0.000 0.781 500 P CB 1.327 32.980 31.700 -0.078 0.000 0.906 501 A N 3.735 126.516 122.820 -0.065 0.000 1.902 501 A HA -0.059 4.261 4.320 0.000 0.000 0.217 501 A C 0.674 178.296 177.584 0.065 0.000 1.181 501 A CA 1.330 53.337 52.037 -0.051 0.000 0.623 501 A CB -0.656 18.313 19.000 -0.053 0.000 0.818 501 A HN 0.587 nan 8.150 nan 0.000 0.443 502 F N -1.497 118.399 119.950 -0.091 0.000 2.578 502 F HA 0.568 5.095 4.527 0.000 0.000 0.311 502 F C -1.265 174.510 175.800 -0.042 0.000 1.094 502 F CA -1.436 56.529 58.000 -0.058 0.000 0.923 502 F CB 2.131 41.105 39.000 -0.044 0.000 1.230 502 F HN -0.206 nan 8.300 nan 0.000 0.450 503 V N 4.690 124.110 119.914 -0.823 0.000 2.385 503 V HA 0.218 4.338 4.120 0.000 0.000 0.277 503 V C -0.525 175.019 176.094 -0.917 0.000 1.012 503 V CA -0.845 61.061 62.300 -0.657 0.000 0.832 503 V CB 1.012 32.637 31.823 -0.331 0.000 1.028 503 V HN 0.731 nan 8.190 nan 0.000 0.436 504 E N 3.429 123.107 120.200 -0.871 0.000 2.966 504 E HA 0.084 4.434 4.350 0.000 0.000 0.254 504 E C 0.828 177.287 176.600 -0.235 0.000 0.923 504 E CA 0.857 56.973 56.400 -0.473 0.000 0.960 504 E CB 0.625 30.255 29.700 -0.116 0.000 0.901 504 E HN 0.802 nan 8.360 nan 0.000 0.525 505 G N 4.123 112.866 108.800 -0.096 0.000 2.398 505 G HA2 0.408 4.368 3.960 0.000 0.000 0.246 505 G HA3 0.408 4.368 3.960 0.000 0.000 0.246 505 G C -0.325 174.573 174.900 -0.004 0.000 1.289 505 G CA 0.463 45.546 45.100 -0.029 0.000 0.869 505 G HN 0.807 nan 8.290 nan 0.000 0.543 506 T N 0.000 114.542 114.554 -0.019 0.000 3.816 506 T HA 0.000 4.350 4.350 0.000 0.000 0.228 506 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 506 T CB 0.000 68.874 68.868 0.010 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658