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 1m4s_1_C DATA FIRST_RESID 1 DATA SEQUENCE STPSIVIASA ARTAVGSFNG AFANTPAHEL GATVISAVLE RAGVAAGEVN DATA SEQUENCE EVILGQVLPA GEGQNPARQA AMKAGVPQEA TAWGMNQLXG SGLRAVALGM DATA SEQUENCE QQIATGDASI IVAGGMESMS MAPHCAHLRG GVKMGDFKMI DTMIKDGLTD DATA SEQUENCE AFYGYHMGTT AENVAKQWQL SRDEQDAFAV ASQNKAEAAQ KDGRFKDEIV DATA SEQUENCE PFIVKGRKGD ITVDADEYIR HGATLDSMAK LRPAFDKEGT VTAGNASGLN DATA SEQUENCE DGAAAALLMS EAEASRRGIQ PLGRIVSWAT VGVDPKVMGT GPIPASRKAL DATA SEQUENCE ERAGWKIGDL DLVEANEAFA AQACAVNKDL GWDPSIVNVN GGAIAIGHPI DATA SEQUENCE GASGARILNT LLFEMKRRGA RKGLATLCIG GGMGVAMCIE SL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.608 174.600 0.014 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.208 63.200 0.012 0.000 0.593 2 T N 2.836 117.399 114.554 0.015 0.000 3.077 2 T HA 0.463 4.814 4.350 0.001 0.000 0.359 2 T C -1.691 173.021 174.700 0.020 0.000 1.108 2 T CA -0.879 61.232 62.100 0.017 0.000 1.170 2 T CB 0.997 69.875 68.868 0.016 0.000 1.045 2 T HN 0.541 nan 8.240 nan 0.000 0.505 3 P HA -0.241 nan 4.420 nan 0.000 0.227 3 P C 0.356 177.670 177.300 0.023 0.000 1.106 3 P CA 1.338 64.452 63.100 0.023 0.000 0.998 3 P CB -0.096 31.621 31.700 0.028 0.000 0.769 4 S N -1.894 113.822 115.700 0.026 0.000 3.516 4 S HA -0.107 4.363 4.470 0.001 0.000 0.562 4 S C -0.138 174.477 174.600 0.025 0.000 0.655 4 S CA -0.215 58.001 58.200 0.027 0.000 1.400 4 S CB -1.275 61.940 63.200 0.026 0.000 0.946 4 S HN 0.143 nan 8.310 nan 0.000 0.871 5 I N 5.269 125.855 120.570 0.026 0.000 2.498 5 I HA 0.673 4.844 4.170 0.001 0.000 0.301 5 I C 0.795 176.923 176.117 0.019 0.000 0.984 5 I CA -0.823 60.490 61.300 0.021 0.000 1.204 5 I CB 1.285 39.297 38.000 0.020 0.000 1.362 5 I HN 0.491 nan 8.210 nan 0.000 0.471 6 V N 3.089 123.010 119.914 0.011 0.000 2.864 6 V HA 0.604 4.725 4.120 0.001 0.000 0.314 6 V C -0.156 175.935 176.094 -0.004 0.000 1.073 6 V CA -0.894 61.410 62.300 0.006 0.000 0.956 6 V CB 2.166 33.992 31.823 0.005 0.000 1.023 6 V HN 0.484 nan 8.190 nan 0.000 0.435 7 I N 3.601 124.163 120.570 -0.013 0.000 2.278 7 I HA 0.346 4.516 4.170 0.001 0.000 0.296 7 I C 1.630 177.727 176.117 -0.033 0.000 1.121 7 I CA 0.205 61.489 61.300 -0.026 0.000 1.267 7 I CB 1.044 39.020 38.000 -0.039 0.000 1.447 7 I HN 0.934 nan 8.210 nan 0.000 0.509 8 A N 4.970 127.777 122.820 -0.021 0.000 1.877 8 A HA -0.076 4.244 4.320 0.001 0.000 0.216 8 A C 1.180 178.751 177.584 -0.022 0.000 1.186 8 A CA 1.761 53.789 52.037 -0.016 0.000 0.620 8 A CB -0.152 18.846 19.000 -0.004 0.000 0.822 8 A HN 0.691 nan 8.150 nan 0.000 0.443 9 S N -3.768 111.924 115.700 -0.013 0.000 2.705 9 S HA 0.815 5.285 4.470 0.001 0.000 0.280 9 S C -0.642 173.974 174.600 0.026 0.000 1.174 9 S CA -0.116 58.089 58.200 0.009 0.000 0.823 9 S CB 1.314 64.541 63.200 0.044 0.000 1.162 9 S HN 1.834 nan 8.310 nan 0.000 0.487 10 A N -0.344 122.545 122.820 0.114 0.000 2.601 10 A HA 0.992 5.312 4.320 0.001 0.000 0.291 10 A C -1.060 176.685 177.584 0.267 0.000 1.075 10 A CA -0.428 51.708 52.037 0.164 0.000 0.671 10 A CB 0.713 19.795 19.000 0.137 0.000 1.277 10 A HN 2.440 nan 8.150 nan 0.000 0.417 11 A N 0.627 123.553 122.820 0.177 0.000 2.583 11 A HA 0.761 5.081 4.320 0.001 0.000 0.298 11 A C -0.782 176.844 177.584 0.069 0.000 1.055 11 A CA -0.171 51.939 52.037 0.122 0.000 0.714 11 A CB 1.028 20.074 19.000 0.078 0.000 1.277 11 A HN 1.914 nan 8.150 nan 0.000 0.406 12 R N 0.275 120.802 120.500 0.045 0.000 2.740 12 R HA 0.813 5.153 4.340 0.001 0.000 0.282 12 R C 0.126 176.434 176.300 0.013 0.000 0.969 12 R CA 0.045 56.157 56.100 0.020 0.000 0.918 12 R CB 1.389 31.702 30.300 0.021 0.000 1.175 12 R HN 0.925 nan 8.270 nan 0.000 0.464 13 T N -0.333 114.218 114.554 -0.005 0.000 2.802 13 T HA 0.381 4.731 4.350 0.001 0.000 0.305 13 T C 0.827 175.566 174.700 0.065 0.000 1.053 13 T CA -0.284 61.829 62.100 0.021 0.000 1.058 13 T CB 0.707 69.509 68.868 -0.110 0.000 0.988 13 T HN 0.784 nan 8.240 nan 0.000 0.539 14 A N 1.345 124.252 122.820 0.145 0.000 2.547 14 A HA 0.438 4.758 4.320 0.001 0.000 0.233 14 A C 0.427 178.110 177.584 0.165 0.000 1.067 14 A CA -0.603 51.508 52.037 0.123 0.000 0.763 14 A CB -0.273 18.813 19.000 0.142 0.000 1.007 14 A HN 0.906 nan 8.150 nan 0.000 0.506 15 V N 2.280 122.224 119.914 0.049 0.000 2.432 15 V HA 0.480 4.600 4.120 0.001 0.000 0.271 15 V C 1.115 177.208 176.094 -0.001 0.000 1.046 15 V CA 0.267 62.597 62.300 0.051 0.000 0.945 15 V CB 0.693 32.519 31.823 0.006 0.000 0.992 15 V HN 1.090 nan 8.190 nan 0.000 0.471 16 G N 3.378 112.163 108.800 -0.025 0.000 2.389 16 G HA2 0.474 4.434 3.960 0.001 0.000 0.317 16 G HA3 0.474 4.434 3.960 0.001 0.000 0.317 16 G C -0.055 174.788 174.900 -0.095 0.000 1.137 16 G CA -0.357 44.603 45.100 -0.232 0.000 0.870 16 G HN 0.642 nan 8.290 nan 0.000 0.496 17 S N 0.043 115.694 115.700 -0.082 0.000 2.593 17 S HA 0.223 4.693 4.470 0.001 0.000 0.269 17 S C -0.050 174.568 174.600 0.029 0.000 1.334 17 S CA -0.395 57.797 58.200 -0.013 0.000 1.015 17 S CB 0.699 63.941 63.200 0.070 0.000 0.912 17 S HN 0.427 nan 8.310 nan 0.000 0.541 18 F N 3.623 123.503 119.950 -0.117 0.000 2.593 18 F HA -0.009 4.518 4.527 0.001 0.000 0.393 18 F C 1.027 176.807 175.800 -0.035 0.000 1.037 18 F CA -0.208 57.750 58.000 -0.070 0.000 1.195 18 F CB -0.736 38.227 39.000 -0.062 0.000 1.034 18 F HN 0.619 nan 8.300 nan 0.000 0.552 19 N N 3.087 121.505 118.700 -0.469 0.000 2.727 19 N HA -0.201 4.539 4.740 0.001 0.000 0.249 19 N C 0.342 175.745 175.510 -0.178 0.000 1.048 19 N CA 0.903 53.727 53.050 -0.377 0.000 0.714 19 N CB -1.266 36.925 38.487 -0.493 0.000 0.959 19 N HN 0.839 nan 8.380 nan 0.000 0.544 20 G N -0.302 108.419 108.800 -0.132 0.000 3.345 20 G HA2 0.586 4.546 3.960 0.001 0.000 0.202 20 G HA3 0.586 4.546 3.960 0.001 0.000 0.202 20 G C 1.069 175.878 174.900 -0.153 0.000 1.740 20 G CA 0.456 45.483 45.100 -0.122 0.000 0.806 20 G HN 0.308 nan 8.290 nan 0.000 0.718 21 A N -0.389 122.262 122.820 -0.282 0.000 1.908 21 A HA 0.132 4.453 4.320 0.001 0.000 0.218 21 A C 1.455 178.919 177.584 -0.201 0.000 1.181 21 A CA 1.520 53.332 52.037 -0.375 0.000 0.627 21 A CB -0.486 18.055 19.000 -0.764 0.000 0.818 21 A HN 0.362 nan 8.150 nan 0.000 0.445 22 F N -0.933 118.988 119.950 -0.048 0.000 2.772 22 F HA 0.524 5.051 4.527 0.001 0.000 0.302 22 F C 1.879 177.631 175.800 -0.081 0.000 1.136 22 F CA -0.905 57.046 58.000 -0.082 0.000 1.322 22 F CB -0.949 37.954 39.000 -0.161 0.000 0.967 22 F HN 0.212 nan 8.300 nan 0.000 0.513 23 A N 0.450 123.295 122.820 0.043 0.000 1.986 23 A HA -0.210 4.110 4.320 0.001 0.000 0.220 23 A C 1.848 179.428 177.584 -0.007 0.000 1.171 23 A CA 1.927 53.946 52.037 -0.029 0.000 0.640 23 A CB -0.355 18.599 19.000 -0.077 0.000 0.811 23 A HN 0.401 nan 8.150 nan 0.000 0.451 24 N N -0.939 117.780 118.700 0.031 0.000 2.238 24 N HA 0.062 4.803 4.740 0.001 0.000 0.235 24 N C -0.818 174.708 175.510 0.028 0.000 1.209 24 N CA 0.127 53.191 53.050 0.024 0.000 0.879 24 N CB 0.803 39.303 38.487 0.023 0.000 1.136 24 N HN 0.202 nan 8.380 nan 0.000 0.517 25 T N 3.034 117.605 114.554 0.028 0.000 2.738 25 T HA 0.310 4.660 4.350 0.001 0.000 0.298 25 T C -2.464 172.161 174.700 -0.125 0.000 0.962 25 T CA -1.218 60.856 62.100 -0.044 0.000 0.972 25 T CB 1.766 70.563 68.868 -0.119 0.000 0.928 25 T HN -0.027 nan 8.240 nan 0.000 0.474 26 P HA 0.136 nan 4.420 nan 0.000 0.267 26 P C 0.597 177.740 177.300 -0.262 0.000 1.200 26 P CA -0.175 62.824 63.100 -0.169 0.000 0.772 26 P CB 0.502 32.066 31.700 -0.227 0.000 0.855 27 A N 3.293 126.024 122.820 -0.149 0.000 1.908 27 A HA -0.238 4.082 4.320 0.001 0.000 0.218 27 A C 1.932 179.420 177.584 -0.160 0.000 1.181 27 A CA 1.764 53.709 52.037 -0.154 0.000 0.627 27 A CB -1.682 17.280 19.000 -0.063 0.000 0.818 27 A HN 0.807 nan 8.150 nan 0.000 0.445 28 H N -0.649 118.376 119.070 -0.075 0.000 2.491 28 H HA -0.021 4.536 4.556 0.001 0.000 0.290 28 H C 1.411 176.719 175.328 -0.033 0.000 1.050 28 H CA 1.305 57.321 56.048 -0.053 0.000 1.309 28 H CB -0.388 29.355 29.762 -0.031 0.000 1.392 28 H HN 0.647 nan 8.280 nan 0.000 0.554 29 E N 1.182 121.113 120.200 -0.449 0.000 2.072 29 E HA -0.062 4.289 4.350 0.001 0.000 0.191 29 E C 2.585 179.188 176.600 0.005 0.000 0.985 29 E CA 0.867 57.174 56.400 -0.155 0.000 0.801 29 E CB 0.062 29.703 29.700 -0.098 0.000 0.750 29 E HN 0.459 nan 8.360 nan 0.000 0.452 30 L N 0.639 121.680 121.223 -0.304 0.000 2.056 30 L HA -0.071 4.270 4.340 0.001 0.000 0.207 30 L C 2.664 179.442 176.870 -0.153 0.000 1.078 30 L CA 1.200 55.784 54.840 -0.427 0.000 0.749 30 L CB -0.834 40.834 42.059 -0.653 0.000 0.901 30 L HN 0.202 nan 8.230 nan 0.000 0.433 31 G N -0.124 108.611 108.800 -0.108 0.000 2.442 31 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 31 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 31 G C 1.783 176.681 174.900 -0.004 0.000 1.141 31 G CA 0.875 45.947 45.100 -0.047 0.000 0.763 31 G HN 0.464 nan 8.290 nan 0.000 0.554 32 A N 0.083 122.920 122.820 0.029 0.000 1.898 32 A HA 0.019 4.339 4.320 0.001 0.000 0.216 32 A C 2.509 180.121 177.584 0.047 0.000 1.181 32 A CA 2.335 54.400 52.037 0.047 0.000 0.620 32 A CB -0.853 18.189 19.000 0.070 0.000 0.819 32 A HN 0.276 nan 8.150 nan 0.000 0.442 33 T N -0.082 114.523 114.554 0.086 0.000 2.821 33 T HA -0.105 4.245 4.350 0.001 0.000 0.267 33 T C 1.967 176.700 174.700 0.056 0.000 1.046 33 T CA 1.850 64.007 62.100 0.094 0.000 1.139 33 T CB -0.505 68.513 68.868 0.251 0.000 0.871 33 T HN 0.571 nan 8.240 nan 0.000 0.454 34 V N -0.477 119.457 119.914 0.033 0.000 2.591 34 V HA 0.052 4.173 4.120 0.001 0.000 0.249 34 V C 2.187 178.290 176.094 0.015 0.000 1.053 34 V CA 1.008 63.320 62.300 0.019 0.000 1.068 34 V CB -0.922 30.899 31.823 -0.002 0.000 0.689 34 V HN 0.416 nan 8.190 nan 0.000 0.462 35 I N 1.480 122.055 120.570 0.007 0.000 2.179 35 I HA -0.195 3.975 4.170 0.001 0.000 0.242 35 I C 2.764 178.886 176.117 0.009 0.000 1.088 35 I CA 2.086 63.387 61.300 0.002 0.000 1.357 35 I CB -0.396 37.602 38.000 -0.004 0.000 1.051 35 I HN 0.296 nan 8.210 nan 0.000 0.409 36 S N 0.623 116.331 115.700 0.013 0.000 2.423 36 S HA -0.076 4.394 4.470 0.001 0.000 0.231 36 S C 2.144 176.754 174.600 0.017 0.000 1.014 36 S CA 1.020 59.227 58.200 0.012 0.000 0.965 36 S CB -0.274 62.931 63.200 0.008 0.000 0.785 36 S HN 0.527 nan 8.310 nan 0.000 0.495 37 A N 1.633 124.467 122.820 0.023 0.000 1.873 37 A HA -0.029 4.292 4.320 0.001 0.000 0.215 37 A C 2.405 180.013 177.584 0.040 0.000 1.186 37 A CA 1.586 53.642 52.037 0.031 0.000 0.616 37 A CB -0.975 18.047 19.000 0.037 0.000 0.823 37 A HN 0.561 nan 8.150 nan 0.000 0.442 38 V N -2.141 117.797 119.914 0.039 0.000 2.970 38 V HA -0.057 4.064 4.120 0.001 0.000 0.260 38 V C 2.069 178.181 176.094 0.030 0.000 1.100 38 V CA 1.620 63.946 62.300 0.043 0.000 1.122 38 V CB -0.739 31.105 31.823 0.035 0.000 0.721 38 V HN 0.425 nan 8.190 nan 0.000 0.483 39 L N 0.069 121.305 121.223 0.022 0.000 2.068 39 L HA 0.005 4.346 4.340 0.001 0.000 0.204 39 L C 2.907 179.789 176.870 0.019 0.000 1.076 39 L CA 1.961 56.811 54.840 0.016 0.000 0.753 39 L CB -0.570 41.495 42.059 0.011 0.000 0.910 39 L HN 0.383 nan 8.230 nan 0.000 0.439 40 E N 0.703 120.915 120.200 0.020 0.000 2.150 40 E HA -0.213 4.138 4.350 0.001 0.000 0.193 40 E C 2.237 178.855 176.600 0.029 0.000 0.985 40 E CA 0.940 57.352 56.400 0.021 0.000 0.814 40 E CB 0.188 29.899 29.700 0.017 0.000 0.752 40 E HN 0.363 nan 8.360 nan 0.000 0.466 41 R N -0.298 120.225 120.500 0.040 0.000 2.115 41 R HA -0.016 4.324 4.340 0.001 0.000 0.230 41 R C 2.155 178.483 176.300 0.046 0.000 1.111 41 R CA 1.179 57.312 56.100 0.055 0.000 0.976 41 R CB -0.042 30.310 30.300 0.086 0.000 0.870 41 R HN 0.113 nan 8.270 nan 0.000 0.445 42 A N -0.531 122.310 122.820 0.035 0.000 2.147 42 A HA 0.241 4.561 4.320 0.001 0.000 0.211 42 A C 1.276 178.872 177.584 0.020 0.000 1.160 42 A CA 0.651 52.702 52.037 0.025 0.000 0.781 42 A CB 0.142 19.153 19.000 0.018 0.000 0.842 42 A HN 0.382 nan 8.150 nan 0.000 0.475 43 G N -0.777 108.035 108.800 0.020 0.000 2.198 43 G HA2 -0.143 3.817 3.960 0.001 0.000 0.257 43 G HA3 -0.143 3.817 3.960 0.001 0.000 0.257 43 G C -0.051 174.857 174.900 0.013 0.000 1.042 43 G CA 0.217 45.327 45.100 0.016 0.000 0.791 43 G HN 0.839 nan 8.290 nan 0.000 0.502 44 V N 0.272 120.194 119.914 0.012 0.000 2.483 44 V HA 0.813 4.933 4.120 0.001 0.000 0.295 44 V C 0.940 177.039 176.094 0.009 0.000 1.035 44 V CA -0.410 61.896 62.300 0.010 0.000 0.896 44 V CB 1.610 33.438 31.823 0.009 0.000 0.986 44 V HN 1.120 nan 8.190 nan 0.000 0.447 45 A N 3.331 126.156 122.820 0.008 0.000 2.386 45 A HA 0.631 4.951 4.320 0.001 0.000 0.248 45 A C 1.473 179.061 177.584 0.006 0.000 1.082 45 A CA 0.364 52.405 52.037 0.007 0.000 0.789 45 A CB 0.483 19.487 19.000 0.006 0.000 1.025 45 A HN 1.330 nan 8.150 nan 0.000 0.490 46 A N 1.524 124.347 122.820 0.006 0.000 2.015 46 A HA 0.136 4.456 4.320 0.001 0.000 0.219 46 A C 2.006 179.593 177.584 0.006 0.000 1.163 46 A CA 1.849 53.889 52.037 0.005 0.000 0.646 46 A CB -0.924 18.078 19.000 0.005 0.000 0.806 46 A HN 1.433 nan 8.150 nan 0.000 0.448 47 G N -0.758 108.046 108.800 0.006 0.000 2.776 47 G HA2 -0.027 3.934 3.960 0.001 0.000 0.209 47 G HA3 -0.027 3.934 3.960 0.001 0.000 0.209 47 G C 1.133 176.038 174.900 0.008 0.000 1.145 47 G CA 0.703 45.807 45.100 0.007 0.000 0.791 47 G HN 0.684 nan 8.290 nan 0.000 0.530 48 E N -0.443 119.761 120.200 0.007 0.000 2.452 48 E HA 0.113 4.464 4.350 0.001 0.000 0.197 48 E C 0.266 176.872 176.600 0.009 0.000 1.022 48 E CA -0.357 56.048 56.400 0.008 0.000 0.890 48 E CB 0.785 30.489 29.700 0.008 0.000 0.918 48 E HN 0.160 nan 8.360 nan 0.000 0.496 49 V N 2.734 122.653 119.914 0.007 0.000 2.585 49 V HA -0.077 4.044 4.120 0.001 0.000 0.296 49 V C 0.818 176.919 176.094 0.013 0.000 1.035 49 V CA 0.592 62.897 62.300 0.007 0.000 1.084 49 V CB 0.847 32.671 31.823 0.002 0.000 0.953 49 V HN 0.237 nan 8.190 nan 0.000 0.483 50 N N 3.087 121.798 118.700 0.018 0.000 2.305 50 N HA 0.087 4.828 4.740 0.001 0.000 0.179 50 N C 0.406 175.940 175.510 0.040 0.000 1.019 50 N CA 0.348 53.414 53.050 0.028 0.000 0.869 50 N CB 0.465 38.971 38.487 0.032 0.000 1.000 50 N HN 0.810 nan 8.380 nan 0.000 0.431 51 E N -0.196 120.026 120.200 0.037 0.000 2.392 51 E HA 0.422 4.773 4.350 0.001 0.000 0.279 51 E C -1.978 174.612 176.600 -0.016 0.000 0.964 51 E CA -0.601 55.831 56.400 0.053 0.000 0.777 51 E CB 2.104 31.885 29.700 0.135 0.000 1.249 51 E HN -0.267 nan 8.360 nan 0.000 0.449 52 V N 4.193 124.063 119.914 -0.073 0.000 2.531 52 V HA 0.485 4.606 4.120 0.001 0.000 0.301 52 V C -0.504 175.346 176.094 -0.405 0.000 1.034 52 V CA -0.555 61.644 62.300 -0.169 0.000 0.865 52 V CB 1.475 33.231 31.823 -0.111 0.000 0.995 52 V HN 0.538 nan 8.190 nan 0.000 0.424 53 I N 6.237 126.508 120.570 -0.498 0.000 2.410 53 I HA 0.527 4.697 4.170 0.001 0.000 0.286 53 I C -0.939 174.865 176.117 -0.522 0.000 1.009 53 I CA -0.390 60.392 61.300 -0.863 0.000 1.111 53 I CB 1.607 39.026 38.000 -0.969 0.000 1.262 53 I HN 0.331 nan 8.210 nan 0.000 0.443 54 L N 5.686 126.638 121.223 -0.452 0.000 2.372 54 L HA 0.546 4.886 4.340 0.001 0.000 0.274 54 L C 0.677 177.432 176.870 -0.192 0.000 0.988 54 L CA -0.639 54.050 54.840 -0.251 0.000 0.833 54 L CB 1.910 43.869 42.059 -0.167 0.000 1.236 54 L HN 0.677 nan 8.230 nan 0.000 0.410 55 G N 2.111 110.822 108.800 -0.148 0.000 2.484 55 G HA2 0.304 4.265 3.960 0.001 0.000 0.235 55 G HA3 0.304 4.265 3.960 0.001 0.000 0.235 55 G C -0.628 174.232 174.900 -0.067 0.000 1.282 55 G CA 0.170 45.218 45.100 -0.086 0.000 0.857 55 G HN 0.679 nan 8.290 nan 0.000 0.571 56 Q N 0.780 120.554 119.800 -0.042 0.000 2.598 56 Q HA 0.169 4.510 4.340 0.001 0.000 0.237 56 Q C -0.542 175.444 176.000 -0.022 0.000 0.914 56 Q CA -0.699 55.082 55.803 -0.036 0.000 1.065 56 Q CB 1.262 29.983 28.738 -0.028 0.000 1.586 56 Q HN 0.319 nan 8.270 nan 0.000 0.484 57 V N 3.946 123.841 119.914 -0.031 0.000 2.992 57 V HA 0.130 4.251 4.120 0.001 0.000 0.250 57 V C 0.613 176.693 176.094 -0.024 0.000 1.090 57 V CA 0.674 62.957 62.300 -0.027 0.000 1.101 57 V CB 0.261 32.059 31.823 -0.042 0.000 0.743 57 V HN 0.665 nan 8.190 nan 0.000 0.468 58 L N 2.159 123.368 121.223 -0.023 0.000 2.556 58 L HA 0.354 4.694 4.340 0.001 0.000 0.243 58 L C -2.131 174.738 176.870 -0.002 0.000 1.331 58 L CA -0.783 54.048 54.840 -0.015 0.000 0.927 58 L CB 1.327 43.375 42.059 -0.019 0.000 1.219 58 L HN 0.158 nan 8.230 nan 0.000 0.490 59 P HA 0.148 nan 4.420 nan 0.000 0.266 59 P C 0.470 177.781 177.300 0.018 0.000 1.381 59 P CA -0.013 63.095 63.100 0.012 0.000 0.940 59 P CB 0.571 32.277 31.700 0.011 0.000 1.435 60 A N 0.592 123.421 122.820 0.016 0.000 2.450 60 A HA 0.501 4.822 4.320 0.001 0.000 0.255 60 A C 1.563 179.164 177.584 0.029 0.000 1.096 60 A CA 0.635 52.684 52.037 0.020 0.000 0.778 60 A CB -0.957 18.054 19.000 0.018 0.000 1.031 60 A HN 0.339 nan 8.150 nan 0.000 0.494 61 G N 1.533 110.351 108.800 0.030 0.000 2.205 61 G HA2 -0.296 3.664 3.960 0.001 0.000 0.261 61 G HA3 -0.296 3.664 3.960 0.001 0.000 0.261 61 G C 0.762 175.685 174.900 0.038 0.000 0.980 61 G CA 0.840 45.961 45.100 0.035 0.000 0.632 61 G HN 0.872 nan 8.290 nan 0.000 0.533 62 E N 0.385 120.608 120.200 0.038 0.000 2.435 62 E HA 0.410 4.760 4.350 0.001 0.000 0.195 62 E C 1.451 178.059 176.600 0.012 0.000 1.029 62 E CA 1.154 57.585 56.400 0.052 0.000 0.865 62 E CB -0.107 29.637 29.700 0.073 0.000 0.833 62 E HN 1.742 nan 8.360 nan 0.000 0.510 63 G N 0.579 109.379 108.800 0.001 0.000 2.566 63 G HA2 -0.251 3.709 3.960 0.001 0.000 0.599 63 G HA3 -0.251 3.709 3.960 0.001 0.000 0.599 63 G C -0.972 173.911 174.900 -0.028 0.000 1.292 63 G CA -0.555 44.533 45.100 -0.019 0.000 0.922 63 G HN 0.233 nan 8.290 nan 0.000 0.514 64 Q N 0.209 119.990 119.800 -0.031 0.000 2.269 64 Q HA 0.181 4.522 4.340 0.001 0.000 0.300 64 Q C 1.033 177.012 176.000 -0.035 0.000 1.070 64 Q CA 0.821 56.610 55.803 -0.024 0.000 0.957 64 Q CB 0.171 28.897 28.738 -0.020 0.000 1.131 64 Q HN 0.948 nan 8.270 nan 0.000 0.377 65 N N 3.597 122.290 118.700 -0.011 0.000 2.676 65 N HA -0.178 4.563 4.740 0.001 0.000 0.290 65 N C -2.297 173.193 175.510 -0.034 0.000 1.109 65 N CA -0.044 53.006 53.050 -0.000 0.000 0.779 65 N CB -0.001 38.500 38.487 0.023 0.000 0.947 65 N HN 0.393 nan 8.380 nan 0.000 0.566 66 P HA -0.153 nan 4.420 nan 0.000 0.218 66 P C 1.097 178.372 177.300 -0.041 0.000 1.146 66 P CA 1.907 64.965 63.100 -0.070 0.000 0.813 66 P CB -0.014 31.685 31.700 -0.000 0.000 0.778 67 A N -0.106 122.696 122.820 -0.030 0.000 1.902 67 A HA -0.234 4.086 4.320 0.001 0.000 0.217 67 A C 2.403 179.964 177.584 -0.038 0.000 1.181 67 A CA 1.994 54.002 52.037 -0.048 0.000 0.623 67 A CB -1.027 17.927 19.000 -0.078 0.000 0.818 67 A HN 0.036 nan 8.150 nan 0.000 0.443 68 R N 0.117 120.603 120.500 -0.024 0.000 2.092 68 R HA -0.079 4.261 4.340 0.001 0.000 0.231 68 R C 2.152 178.426 176.300 -0.043 0.000 1.119 68 R CA 1.958 58.046 56.100 -0.019 0.000 0.970 68 R CB -0.643 29.654 30.300 -0.004 0.000 0.864 68 R HN 0.684 nan 8.270 nan 0.000 0.440 69 Q N -0.759 118.984 119.800 -0.095 0.000 2.170 69 Q HA -0.066 4.274 4.340 0.001 0.000 0.203 69 Q C 1.856 177.840 176.000 -0.028 0.000 0.976 69 Q CA 1.564 57.267 55.803 -0.167 0.000 0.858 69 Q CB -0.071 28.350 28.738 -0.528 0.000 0.907 69 Q HN 0.469 nan 8.270 nan 0.000 0.433 70 A N 0.565 123.402 122.820 0.029 0.000 1.984 70 A HA 0.193 4.513 4.320 0.001 0.000 0.214 70 A C 2.192 179.798 177.584 0.037 0.000 1.173 70 A CA 0.907 52.997 52.037 0.088 0.000 0.673 70 A CB -0.289 18.754 19.000 0.072 0.000 0.830 70 A HN 0.330 nan 8.150 nan 0.000 0.453 71 A N -0.318 122.506 122.820 0.007 0.000 1.855 71 A HA -0.055 4.266 4.320 0.001 0.000 0.215 71 A C 2.172 179.760 177.584 0.008 0.000 1.191 71 A CA 1.774 53.811 52.037 -0.001 0.000 0.613 71 A CB -0.484 18.509 19.000 -0.011 0.000 0.829 71 A HN 0.382 nan 8.150 nan 0.000 0.442 72 M N -0.518 119.086 119.600 0.006 0.000 2.117 72 M HA -0.115 4.365 4.480 0.001 0.000 0.262 72 M C 2.130 178.441 176.300 0.018 0.000 1.065 72 M CA 1.996 57.300 55.300 0.008 0.000 1.114 72 M CB -1.019 31.580 32.600 -0.001 0.000 1.361 72 M HN 0.537 nan 8.290 nan 0.000 0.408 73 K N 0.737 121.158 120.400 0.035 0.000 2.026 73 K HA -0.051 4.270 4.320 0.001 0.000 0.208 73 K C 1.809 178.428 176.600 0.031 0.000 1.048 73 K CA 1.629 57.944 56.287 0.048 0.000 0.929 73 K CB -0.194 32.363 32.500 0.095 0.000 0.713 73 K HN 0.222 nan 8.250 nan 0.000 0.439 74 A N -0.286 122.552 122.820 0.030 0.000 2.216 74 A HA 0.120 4.441 4.320 0.001 0.000 0.214 74 A C 1.435 179.025 177.584 0.011 0.000 1.160 74 A CA 1.152 53.200 52.037 0.019 0.000 0.725 74 A CB -0.722 18.288 19.000 0.016 0.000 0.784 74 A HN 0.656 nan 8.150 nan 0.000 0.472 75 G N -2.095 106.711 108.800 0.010 0.000 2.144 75 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 75 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 75 G C 0.091 174.995 174.900 0.006 0.000 0.988 75 G CA -0.056 45.048 45.100 0.007 0.000 0.659 75 G HN 0.800 nan 8.290 nan 0.000 0.522 76 V N 3.032 122.949 119.914 0.006 0.000 2.521 76 V HA 0.345 4.466 4.120 0.001 0.000 0.286 76 V C -0.612 175.486 176.094 0.006 0.000 1.034 76 V CA -0.739 61.564 62.300 0.005 0.000 1.045 76 V CB 0.832 32.657 31.823 0.003 0.000 0.974 76 V HN 0.315 nan 8.190 nan 0.000 0.480 77 P HA 0.074 nan 4.420 nan 0.000 0.273 77 P C 0.429 177.735 177.300 0.009 0.000 1.250 77 P CA -0.391 62.714 63.100 0.007 0.000 0.793 77 P CB 0.534 32.239 31.700 0.007 0.000 1.011 78 Q N -0.006 119.799 119.800 0.008 0.000 2.436 78 Q HA -0.120 4.221 4.340 0.001 0.000 0.209 78 Q C 0.554 176.561 176.000 0.012 0.000 0.965 78 Q CA 1.356 57.164 55.803 0.009 0.000 0.910 78 Q CB -0.308 28.433 28.738 0.006 0.000 0.980 78 Q HN 0.344 nan 8.270 nan 0.000 0.491 79 E N 1.105 121.312 120.200 0.012 0.000 2.481 79 E HA 0.185 4.535 4.350 0.001 0.000 0.195 79 E C 0.327 176.938 176.600 0.018 0.000 1.047 79 E CA 0.547 56.955 56.400 0.013 0.000 0.867 79 E CB 0.350 30.057 29.700 0.011 0.000 0.858 79 E HN 0.511 nan 8.360 nan 0.000 0.513 80 A N 0.356 123.188 122.820 0.020 0.000 2.250 80 A HA 0.609 4.930 4.320 0.001 0.000 0.283 80 A C 0.597 178.205 177.584 0.040 0.000 1.206 80 A CA -0.028 52.026 52.037 0.029 0.000 0.840 80 A CB 0.348 19.361 19.000 0.023 0.000 1.220 80 A HN 0.186 nan 8.150 nan 0.000 0.505 81 T N -3.762 110.829 114.554 0.061 0.000 2.864 81 T HA 0.834 5.185 4.350 0.001 0.000 0.289 81 T C -0.613 174.159 174.700 0.120 0.000 1.082 81 T CA -0.145 62.012 62.100 0.094 0.000 1.009 81 T CB 1.632 70.570 68.868 0.116 0.000 1.234 81 T HN 2.285 nan 8.240 nan 0.000 0.526 82 A N 0.897 123.826 122.820 0.182 0.000 2.582 82 A HA 0.701 5.022 4.320 0.001 0.000 0.297 82 A C -1.876 175.865 177.584 0.260 0.000 1.059 82 A CA -1.075 51.038 52.037 0.126 0.000 0.705 82 A CB 1.101 20.112 19.000 0.018 0.000 1.279 82 A HN 1.312 nan 8.150 nan 0.000 0.404 83 W N 1.009 122.296 121.300 -0.021 0.000 3.146 83 W HA 0.729 5.390 4.660 0.001 0.000 0.319 83 W C -0.245 176.260 176.519 -0.023 0.000 1.258 83 W CA -0.843 56.489 57.345 -0.022 0.000 1.189 83 W CB 0.918 30.365 29.460 -0.022 0.000 1.412 83 W HN 1.319 nan 8.180 nan 0.000 0.567 84 G N 1.151 110.053 108.800 0.171 0.000 2.471 84 G HA2 0.817 4.778 3.960 0.001 0.000 0.332 84 G HA3 0.817 4.778 3.960 0.001 0.000 0.332 84 G C -1.094 173.921 174.900 0.191 0.000 1.176 84 G CA -0.961 44.165 45.100 0.043 0.000 0.949 84 G HN 0.595 nan 8.290 nan 0.000 0.488 85 M N -0.776 118.875 119.600 0.084 0.000 2.683 85 M HA 0.632 5.112 4.480 0.001 0.000 0.274 85 M C -1.415 174.917 176.300 0.055 0.000 1.272 85 M CA -1.212 54.171 55.300 0.138 0.000 0.833 85 M CB 2.179 34.925 32.600 0.242 0.000 1.708 85 M HN 0.337 nan 8.290 nan 0.000 0.463 86 N N 0.697 119.432 118.700 0.059 0.000 2.607 86 N HA 0.291 5.031 4.740 0.001 0.000 0.271 86 N C -1.704 173.831 175.510 0.041 0.000 1.142 86 N CA -0.069 53.001 53.050 0.033 0.000 0.810 86 N CB 1.476 39.978 38.487 0.025 0.000 1.306 86 N HN 0.931 nan 8.380 nan 0.000 0.536 87 Q N 4.777 124.600 119.800 0.038 0.000 2.268 87 Q HA 0.354 4.694 4.340 0.001 0.000 0.289 87 Q C -0.154 175.873 176.000 0.045 0.000 0.893 87 Q CA -0.336 55.497 55.803 0.050 0.000 1.057 87 Q CB -0.104 28.669 28.738 0.059 0.000 1.173 87 Q HN 0.714 nan 8.270 nan 0.000 0.449 91 S N 0.858 116.568 115.700 0.017 0.000 2.365 91 S HA -0.097 4.374 4.470 0.001 0.000 0.225 91 S C 2.453 177.034 174.600 -0.032 0.000 1.039 91 S CA 1.918 60.114 58.200 -0.007 0.000 1.033 91 S CB -0.470 62.721 63.200 -0.016 0.000 0.887 91 S HN 0.693 nan 8.310 nan 0.000 0.447 92 G N 0.599 109.382 108.800 -0.028 0.000 2.471 92 G HA2 -0.079 3.881 3.960 0.001 0.000 0.219 92 G HA3 -0.079 3.881 3.960 0.001 0.000 0.219 92 G C 1.331 176.209 174.900 -0.038 0.000 1.125 92 G CA 0.508 45.583 45.100 -0.041 0.000 0.775 92 G HN 0.391 nan 8.290 nan 0.000 0.548 93 L N -0.037 121.176 121.223 -0.016 0.000 2.202 93 L HA 0.361 4.701 4.340 0.001 0.000 0.205 93 L C 2.629 179.463 176.870 -0.060 0.000 1.083 93 L CA 1.049 55.880 54.840 -0.015 0.000 0.790 93 L CB -0.316 41.761 42.059 0.030 0.000 0.942 93 L HN 0.120 nan 8.230 nan 0.000 0.452 94 R N 0.347 120.809 120.500 -0.063 0.000 2.105 94 R HA -0.091 4.249 4.340 0.001 0.000 0.239 94 R C 2.115 178.308 176.300 -0.179 0.000 1.135 94 R CA 1.733 57.753 56.100 -0.133 0.000 0.967 94 R CB -0.847 29.412 30.300 -0.069 0.000 0.861 94 R HN 0.441 nan 8.270 nan 0.000 0.442 95 A N -0.390 122.347 122.820 -0.139 0.000 1.902 95 A HA -0.098 4.223 4.320 0.001 0.000 0.217 95 A C 2.334 179.811 177.584 -0.179 0.000 1.181 95 A CA 1.705 53.635 52.037 -0.179 0.000 0.623 95 A CB -0.743 18.126 19.000 -0.219 0.000 0.818 95 A HN 0.184 nan 8.150 nan 0.000 0.443 96 V N -0.171 119.654 119.914 -0.150 0.000 2.392 96 V HA -0.288 3.832 4.120 0.001 0.000 0.249 96 V C 3.006 179.000 176.094 -0.167 0.000 1.059 96 V CA 2.013 64.237 62.300 -0.128 0.000 1.051 96 V CB -1.119 30.654 31.823 -0.083 0.000 0.658 96 V HN 0.634 nan 8.190 nan 0.000 0.455 97 A N -0.481 122.174 122.820 -0.274 0.000 1.897 97 A HA -0.088 4.233 4.320 0.001 0.000 0.215 97 A C 2.162 179.501 177.584 -0.409 0.000 1.181 97 A CA 1.446 53.186 52.037 -0.495 0.000 0.620 97 A CB -0.453 17.911 19.000 -1.059 0.000 0.821 97 A HN 0.502 nan 8.150 nan 0.000 0.443 98 L N -0.601 120.451 121.223 -0.285 0.000 2.131 98 L HA -0.108 4.232 4.340 0.001 0.000 0.210 98 L C 2.686 179.559 176.870 0.004 0.000 1.092 98 L CA 0.968 55.757 54.840 -0.084 0.000 0.759 98 L CB -0.519 41.600 42.059 0.100 0.000 0.903 98 L HN 0.490 nan 8.230 nan 0.000 0.435 99 G N -0.818 107.954 108.800 -0.048 0.000 2.430 99 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 99 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 99 G C 1.603 176.493 174.900 -0.017 0.000 1.146 99 G CA 0.223 45.311 45.100 -0.020 0.000 0.793 99 G HN 0.149 nan 8.290 nan 0.000 0.537 100 M N 0.352 119.922 119.600 -0.049 0.000 2.229 100 M HA -0.004 4.476 4.480 0.001 0.000 0.264 100 M C 2.324 178.626 176.300 0.003 0.000 1.063 100 M CA 1.346 56.631 55.300 -0.025 0.000 1.114 100 M CB -0.508 32.068 32.600 -0.041 0.000 1.387 100 M HN 0.285 nan 8.290 nan 0.000 0.420 101 Q N -0.353 119.445 119.800 -0.003 0.000 2.172 101 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 101 Q C 1.987 178.010 176.000 0.037 0.000 0.964 101 Q CA 1.102 56.924 55.803 0.030 0.000 0.855 101 Q CB 0.018 28.773 28.738 0.029 0.000 0.918 101 Q HN 0.546 nan 8.270 nan 0.000 0.444 102 Q N 0.460 120.286 119.800 0.044 0.000 2.096 102 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 102 Q C 2.042 178.064 176.000 0.037 0.000 0.982 102 Q CA 1.351 57.185 55.803 0.051 0.000 0.850 102 Q CB -0.329 28.456 28.738 0.078 0.000 0.901 102 Q HN 0.454 nan 8.270 nan 0.000 0.422 103 I N 0.675 121.264 120.570 0.031 0.000 2.286 103 I HA -0.172 3.999 4.170 0.001 0.000 0.245 103 I C 2.306 178.439 176.117 0.026 0.000 1.104 103 I CA 0.941 62.256 61.300 0.026 0.000 1.397 103 I CB -0.424 37.588 38.000 0.020 0.000 1.072 103 I HN 0.055 nan 8.210 nan 0.000 0.417 104 A N 0.542 123.380 122.820 0.031 0.000 2.019 104 A HA -0.194 4.127 4.320 0.001 0.000 0.219 104 A C 2.275 179.878 177.584 0.032 0.000 1.164 104 A CA 2.239 54.297 52.037 0.035 0.000 0.644 104 A CB -1.058 17.971 19.000 0.048 0.000 0.805 104 A HN 0.522 nan 8.150 nan 0.000 0.449 105 T N -4.880 109.692 114.554 0.030 0.000 3.086 105 T HA 0.429 4.779 4.350 0.001 0.000 0.250 105 T C 1.264 175.976 174.700 0.020 0.000 1.074 105 T CA 0.977 63.092 62.100 0.025 0.000 0.988 105 T CB 0.256 69.139 68.868 0.025 0.000 0.988 105 T HN 1.645 nan 8.240 nan 0.000 0.530 106 G N 1.709 110.521 108.800 0.020 0.000 2.141 106 G HA2 -0.198 3.762 3.960 0.001 0.000 0.242 106 G HA3 -0.198 3.762 3.960 0.001 0.000 0.242 106 G C 0.335 175.245 174.900 0.016 0.000 0.982 106 G CA 0.212 45.322 45.100 0.017 0.000 0.662 106 G HN 0.545 nan 8.290 nan 0.000 0.527 107 D N 0.097 120.509 120.400 0.019 0.000 2.379 107 D HA 0.497 5.137 4.640 0.001 0.000 0.208 107 D C 1.157 177.473 176.300 0.027 0.000 1.065 107 D CA 1.133 55.145 54.000 0.020 0.000 0.848 107 D CB 0.788 41.599 40.800 0.018 0.000 0.949 107 D HN 1.004 nan 8.370 nan 0.000 0.509 108 A N -0.602 122.235 122.820 0.028 0.000 2.594 108 A HA 0.546 4.867 4.320 0.001 0.000 0.295 108 A C 0.403 178.001 177.584 0.023 0.000 1.071 108 A CA -0.428 51.627 52.037 0.030 0.000 0.685 108 A CB 1.636 20.660 19.000 0.041 0.000 1.285 108 A HN -0.130 nan 8.150 nan 0.000 0.405 109 S N -0.113 115.599 115.700 0.020 0.000 2.460 109 S HA 0.378 4.848 4.470 0.001 0.000 0.226 109 S C 0.350 174.958 174.600 0.014 0.000 1.057 109 S CA 0.696 58.905 58.200 0.016 0.000 0.948 109 S CB -0.001 63.207 63.200 0.014 0.000 0.822 109 S HN 0.554 nan 8.310 nan 0.000 0.512 110 I N 2.557 123.135 120.570 0.014 0.000 2.497 110 I HA 0.357 4.527 4.170 0.001 0.000 0.284 110 I C -1.432 174.689 176.117 0.006 0.000 1.060 110 I CA -0.359 60.946 61.300 0.008 0.000 1.071 110 I CB 1.700 39.704 38.000 0.007 0.000 1.216 110 I HN 0.081 nan 8.210 nan 0.000 0.442 111 I N 6.319 126.888 120.570 -0.001 0.000 2.525 111 I HA 0.463 4.634 4.170 0.001 0.000 0.301 111 I C 0.023 176.121 176.117 -0.031 0.000 0.992 111 I CA -0.904 60.388 61.300 -0.013 0.000 1.162 111 I CB 2.267 40.259 38.000 -0.014 0.000 1.332 111 I HN 0.099 nan 8.210 nan 0.000 0.458 112 V N 4.310 124.194 119.914 -0.051 0.000 2.417 112 V HA 0.798 4.918 4.120 0.001 0.000 0.291 112 V C 0.099 176.128 176.094 -0.107 0.000 1.024 112 V CA -0.493 61.770 62.300 -0.061 0.000 0.861 112 V CB 1.436 33.230 31.823 -0.049 0.000 0.985 112 V HN 0.917 nan 8.190 nan 0.000 0.436 113 A N 3.391 126.148 122.820 -0.104 0.000 2.515 113 A HA 1.056 5.376 4.320 0.001 0.000 0.298 113 A C 0.048 177.565 177.584 -0.112 0.000 1.059 113 A CA 0.107 52.057 52.037 -0.145 0.000 0.698 113 A CB 2.158 21.070 19.000 -0.147 0.000 1.289 113 A HN 1.520 nan 8.150 nan 0.000 0.404 114 G N -0.580 108.141 108.800 -0.132 0.000 2.452 114 G HA2 0.652 4.613 3.960 0.001 0.000 0.224 114 G HA3 0.652 4.613 3.960 0.001 0.000 0.224 114 G C -0.222 174.616 174.900 -0.103 0.000 1.208 114 G CA 0.467 45.511 45.100 -0.093 0.000 0.946 114 G HN 2.002 nan 8.290 nan 0.000 0.481 115 G N -0.799 107.953 108.800 -0.079 0.000 2.695 115 G HA2 0.815 4.775 3.960 0.001 0.000 0.290 115 G HA3 0.815 4.775 3.960 0.001 0.000 0.290 115 G C -0.727 174.128 174.900 -0.076 0.000 1.410 115 G CA -0.002 45.050 45.100 -0.080 0.000 0.844 115 G HN 1.581 nan 8.290 nan 0.000 0.478 116 M N -0.551 119.003 119.600 -0.076 0.000 2.413 116 M HA 0.864 5.345 4.480 0.001 0.000 0.287 116 M C -1.812 174.442 176.300 -0.076 0.000 1.186 116 M CA -0.900 54.350 55.300 -0.083 0.000 0.927 116 M CB 2.737 35.286 32.600 -0.086 0.000 1.715 116 M HN 0.463 nan 8.290 nan 0.000 0.478 117 E N 0.915 121.066 120.200 -0.083 0.000 2.335 117 E HA 0.568 4.918 4.350 0.001 0.000 0.280 117 E C -1.899 174.665 176.600 -0.060 0.000 0.918 117 E CA -0.256 56.104 56.400 -0.067 0.000 0.765 117 E CB 2.601 32.257 29.700 -0.074 0.000 1.218 117 E HN 0.707 nan 8.360 nan 0.000 0.425 118 S N 4.853 120.530 115.700 -0.037 0.000 2.622 118 S HA 0.291 4.761 4.470 0.001 0.000 0.283 118 S C 0.576 175.195 174.600 0.032 0.000 1.197 118 S CA -0.397 57.798 58.200 -0.007 0.000 1.146 118 S CB 0.142 63.327 63.200 -0.025 0.000 1.007 118 S HN 0.714 nan 8.310 nan 0.000 0.478 119 M N 2.216 121.854 119.600 0.064 0.000 2.319 119 M HA -0.034 4.446 4.480 0.001 0.000 0.265 119 M C 2.146 178.607 176.300 0.269 0.000 1.068 119 M CA 0.919 56.295 55.300 0.127 0.000 1.118 119 M CB -0.299 32.351 32.600 0.084 0.000 1.395 119 M HN 0.566 nan 8.290 nan 0.000 0.435 120 S N 0.526 116.344 115.700 0.198 0.000 2.356 120 S HA -0.051 4.419 4.470 0.001 0.000 0.223 120 S C 1.735 176.355 174.600 0.034 0.000 1.032 120 S CA 1.164 59.390 58.200 0.044 0.000 1.005 120 S CB -0.121 63.053 63.200 -0.044 0.000 0.867 120 S HN 0.430 nan 8.310 nan 0.000 0.449 121 M N 1.087 120.711 119.600 0.040 0.000 2.618 121 M HA 0.282 4.762 4.480 0.001 0.000 0.240 121 M C 0.721 177.050 176.300 0.048 0.000 1.123 121 M CA -0.187 55.132 55.300 0.032 0.000 1.060 121 M CB -1.511 31.099 32.600 0.018 0.000 1.535 121 M HN 0.159 nan 8.290 nan 0.000 0.507 122 A N 3.570 126.427 122.820 0.061 0.000 2.492 122 A HA 0.359 4.679 4.320 0.001 0.000 0.254 122 A C -1.929 175.684 177.584 0.048 0.000 1.091 122 A CA -0.774 51.290 52.037 0.045 0.000 0.768 122 A CB -0.679 18.342 19.000 0.034 0.000 1.028 122 A HN 0.165 nan 8.150 nan 0.000 0.498 123 P HA 0.344 nan 4.420 nan 0.000 0.278 123 P C -0.788 176.525 177.300 0.021 0.000 1.266 123 P CA -0.335 62.814 63.100 0.082 0.000 0.807 123 P CB 0.643 32.389 31.700 0.076 0.000 1.094 124 H N -0.957 118.145 119.070 0.052 0.000 2.511 124 H HA 0.424 4.980 4.556 0.001 0.000 0.346 124 H C 0.314 175.679 175.328 0.061 0.000 1.128 124 H CA 0.161 56.242 56.048 0.055 0.000 1.342 124 H CB 0.320 30.111 29.762 0.048 0.000 1.470 124 H HN 0.606 nan 8.280 nan 0.000 0.546 125 C N 0.824 120.217 119.300 0.156 0.000 3.090 125 C HA 0.986 5.446 4.460 0.001 0.000 0.305 125 C C -0.674 174.415 174.990 0.165 0.000 1.292 125 C CA -0.742 58.356 59.018 0.134 0.000 1.482 125 C CB 0.711 28.503 27.740 0.087 0.000 1.897 125 C HN 1.003 nan 8.230 nan 0.000 0.469 126 A N 0.707 123.633 122.820 0.176 0.000 2.547 126 A HA 0.640 4.961 4.320 0.001 0.000 0.297 126 A C -0.984 176.679 177.584 0.133 0.000 1.056 126 A CA -0.249 51.913 52.037 0.207 0.000 0.688 126 A CB 0.735 19.971 19.000 0.393 0.000 1.282 126 A HN 1.286 nan 8.150 nan 0.000 0.400 127 H N 3.339 122.423 119.070 0.024 0.000 3.089 127 H HA 0.328 4.885 4.556 0.001 0.000 0.262 127 H C -0.688 174.581 175.328 -0.098 0.000 1.160 127 H CA 0.362 56.395 56.048 -0.025 0.000 1.482 127 H CB 0.390 30.140 29.762 -0.020 0.000 1.511 127 H HN 0.529 nan 8.280 nan 0.000 0.483 128 L N 5.171 126.132 121.223 -0.436 0.000 2.965 128 L HA 0.194 4.534 4.340 0.001 0.000 0.254 128 L C 2.207 178.831 176.870 -0.410 0.000 1.220 128 L CA -0.077 54.502 54.840 -0.434 0.000 1.023 128 L CB 0.155 42.042 42.059 -0.287 0.000 1.355 128 L HN 0.524 nan 8.230 nan 0.000 0.545 129 R N 0.121 120.277 120.500 -0.573 0.000 2.057 129 R HA -0.038 4.302 4.340 0.001 0.000 0.229 129 R C 2.299 178.464 176.300 -0.224 0.000 1.136 129 R CA 1.393 57.301 56.100 -0.320 0.000 0.952 129 R CB -0.412 29.756 30.300 -0.219 0.000 0.848 129 R HN 0.422 nan 8.270 nan 0.000 0.430 130 G N -0.003 108.654 108.800 -0.238 0.000 2.513 130 G HA2 -0.038 3.923 3.960 0.001 0.000 0.219 130 G HA3 -0.038 3.923 3.960 0.001 0.000 0.219 130 G C 0.511 175.336 174.900 -0.126 0.000 1.160 130 G CA 0.973 46.000 45.100 -0.122 0.000 0.767 130 G HN 0.684 nan 8.290 nan 0.000 0.571 131 G N -2.499 106.191 108.800 -0.183 0.000 2.650 131 G HA2 0.200 4.160 3.960 0.001 0.000 0.686 131 G HA3 0.200 4.160 3.960 0.001 0.000 0.686 131 G C -0.884 173.924 174.900 -0.154 0.000 1.205 131 G CA -0.444 44.560 45.100 -0.161 0.000 0.781 131 G HN 0.998 nan 8.290 nan 0.000 0.648 132 V N 2.910 122.733 119.914 -0.152 0.000 2.284 132 V HA 0.319 4.439 4.120 0.001 0.000 0.274 132 V C 1.320 177.393 176.094 -0.034 0.000 1.023 132 V CA -0.437 61.794 62.300 -0.115 0.000 0.808 132 V CB 1.096 32.809 31.823 -0.184 0.000 1.035 132 V HN 0.831 nan 8.190 nan 0.000 0.445 133 K N 3.333 123.721 120.400 -0.020 0.000 2.211 133 K HA 0.130 4.450 4.320 0.001 0.000 0.203 133 K C 0.432 177.041 176.600 0.015 0.000 1.050 133 K CA 1.060 57.345 56.287 -0.004 0.000 0.945 133 K CB 0.408 32.905 32.500 -0.004 0.000 0.732 133 K HN 0.616 nan 8.250 nan 0.000 0.451 134 M N -1.164 118.453 119.600 0.028 0.000 2.346 134 M HA 0.323 4.804 4.480 0.001 0.000 0.287 134 M C -1.756 174.583 176.300 0.065 0.000 1.100 134 M CA 0.115 55.440 55.300 0.043 0.000 0.950 134 M CB 2.281 34.899 32.600 0.030 0.000 1.815 134 M HN 0.285 nan 8.290 nan 0.000 0.497 135 G N 2.572 111.421 108.800 0.082 0.000 2.617 135 G HA2 -0.007 3.953 3.960 0.001 0.000 0.686 135 G HA3 -0.007 3.953 3.960 0.001 0.000 0.686 135 G C -1.812 173.177 174.900 0.147 0.000 1.214 135 G CA -0.757 44.397 45.100 0.090 0.000 0.796 135 G HN 0.790 nan 8.290 nan 0.000 0.654 136 D N 0.065 120.523 120.400 0.096 0.000 2.414 136 D HA 0.541 5.182 4.640 0.001 0.000 0.242 136 D C 0.570 176.967 176.300 0.162 0.000 1.129 136 D CA 0.874 54.909 54.000 0.059 0.000 0.885 136 D CB 0.660 41.455 40.800 -0.009 0.000 1.198 136 D HN 0.616 nan 8.370 nan 0.000 0.437 137 F N -1.701 118.261 119.950 0.019 0.000 2.577 137 F HA 0.533 5.060 4.527 0.000 0.000 0.318 137 F C -0.089 175.731 175.800 0.033 0.000 1.065 137 F CA -1.355 56.661 58.000 0.026 0.000 0.929 137 F CB 1.216 40.230 39.000 0.024 0.000 1.237 137 F HN -0.133 nan 8.300 nan 0.000 0.468 138 K N 2.970 123.460 120.400 0.150 0.000 2.276 138 K HA 0.329 4.650 4.320 0.001 0.000 0.283 138 K C -0.555 176.111 176.600 0.111 0.000 1.044 138 K CA -0.613 55.710 56.287 0.060 0.000 0.944 138 K CB 0.862 33.418 32.500 0.093 0.000 1.012 138 K HN 0.570 nan 8.250 nan 0.000 0.472 139 M N 4.725 124.340 119.600 0.026 0.000 2.135 139 M HA 0.214 4.694 4.480 0.001 0.000 0.345 139 M C -0.371 176.056 176.300 0.212 0.000 1.340 139 M CA -0.579 54.794 55.300 0.121 0.000 1.162 139 M CB 0.229 32.853 32.600 0.041 0.000 1.570 139 M HN 0.342 nan 8.290 nan 0.000 0.454 140 I N 2.817 123.497 120.570 0.183 0.000 2.371 140 I HA 0.084 4.255 4.170 0.001 0.000 0.290 140 I C 0.561 176.671 176.117 -0.012 0.000 1.028 140 I CA -0.421 60.947 61.300 0.113 0.000 1.345 140 I CB 0.529 38.573 38.000 0.074 0.000 1.407 140 I HN 0.466 nan 8.210 nan 0.000 0.501 141 D N 5.079 125.387 120.400 -0.153 0.000 2.344 141 D HA 0.014 4.654 4.640 0.001 0.000 0.253 141 D C 1.443 177.606 176.300 -0.229 0.000 1.255 141 D CA 0.005 53.682 54.000 -0.538 0.000 0.894 141 D CB 1.042 41.619 40.800 -0.371 0.000 1.067 141 D HN 0.699 nan 8.370 nan 0.000 0.492 142 T N 1.338 115.776 114.554 -0.193 0.000 2.881 142 T HA -0.225 4.126 4.350 0.001 0.000 0.270 142 T C 1.989 176.644 174.700 -0.074 0.000 1.068 142 T CA 0.801 62.848 62.100 -0.089 0.000 1.131 142 T CB -0.206 68.631 68.868 -0.051 0.000 0.871 142 T HN 0.498 nan 8.240 nan 0.000 0.479 143 M N 0.502 120.054 119.600 -0.080 0.000 2.086 143 M HA -0.047 4.433 4.480 0.001 0.000 0.261 143 M C 1.888 178.156 176.300 -0.053 0.000 1.067 143 M CA 1.797 57.067 55.300 -0.051 0.000 1.116 143 M CB -0.240 32.350 32.600 -0.017 0.000 1.348 143 M HN 0.179 nan 8.290 nan 0.000 0.407 144 I N 0.437 120.982 120.570 -0.041 0.000 2.233 144 I HA -0.211 3.959 4.170 0.001 0.000 0.243 144 I C 2.373 178.473 176.117 -0.029 0.000 1.093 144 I CA 1.354 62.652 61.300 -0.004 0.000 1.380 144 I CB -1.441 36.590 38.000 0.053 0.000 1.067 144 I HN 0.326 nan 8.210 nan 0.000 0.413 145 K N 1.413 121.791 120.400 -0.036 0.000 2.062 145 K HA -0.127 4.194 4.320 0.001 0.000 0.205 145 K C 1.422 177.987 176.600 -0.058 0.000 1.051 145 K CA 1.573 57.837 56.287 -0.039 0.000 0.941 145 K CB -0.080 32.402 32.500 -0.030 0.000 0.719 145 K HN 0.185 nan 8.250 nan 0.000 0.440 146 D N -1.645 118.721 120.400 -0.057 0.000 2.367 146 D HA 0.116 4.757 4.640 0.001 0.000 0.207 146 D C 1.320 177.583 176.300 -0.061 0.000 1.034 146 D CA 0.888 54.853 54.000 -0.058 0.000 0.861 146 D CB 0.830 41.603 40.800 -0.045 0.000 0.943 146 D HN 0.419 nan 8.370 nan 0.000 0.515 147 G N -0.195 108.564 108.800 -0.068 0.000 2.747 147 G HA2 0.131 4.091 3.960 0.001 0.000 0.202 147 G HA3 0.131 4.091 3.960 0.001 0.000 0.202 147 G C 1.267 176.111 174.900 -0.094 0.000 1.090 147 G CA -0.078 44.977 45.100 -0.075 0.000 0.779 147 G HN 0.157 nan 8.290 nan 0.000 0.535 148 L N 0.975 122.119 121.223 -0.131 0.000 2.858 148 L HA 0.313 4.653 4.340 0.001 0.000 0.251 148 L C -0.008 176.684 176.870 -0.297 0.000 1.149 148 L CA 0.210 54.891 54.840 -0.266 0.000 0.955 148 L CB 1.280 43.123 42.059 -0.361 0.000 1.289 148 L HN -0.074 nan 8.230 nan 0.000 0.542 149 T N -0.286 114.181 114.554 -0.144 0.000 2.770 149 T HA 0.177 4.527 4.350 0.001 0.000 0.283 149 T C -0.586 174.060 174.700 -0.091 0.000 0.988 149 T CA -0.462 61.586 62.100 -0.087 0.000 0.957 149 T CB 1.854 70.692 68.868 -0.049 0.000 0.930 149 T HN -0.061 nan 8.240 nan 0.000 0.443 150 D N 2.111 122.474 120.400 -0.062 0.000 2.458 150 D HA 0.298 4.939 4.640 0.001 0.000 0.243 150 D C 1.083 177.256 176.300 -0.212 0.000 1.146 150 D CA -0.060 53.888 54.000 -0.086 0.000 0.877 150 D CB 0.752 41.535 40.800 -0.028 0.000 1.176 150 D HN 0.543 nan 8.370 nan 0.000 0.461 151 A N 3.193 125.766 122.820 -0.413 0.000 2.016 151 A HA -0.019 4.301 4.320 0.001 0.000 0.217 151 A C 1.469 178.685 177.584 -0.613 0.000 1.162 151 A CA 0.632 52.322 52.037 -0.577 0.000 0.662 151 A CB -0.390 18.129 19.000 -0.803 0.000 0.812 151 A HN 0.631 nan 8.150 nan 0.000 0.450 152 F N -2.966 116.872 119.950 -0.186 0.000 2.446 152 F HA 0.160 4.687 4.527 0.001 0.000 0.292 152 F C 1.519 176.969 175.800 -0.584 0.000 1.096 152 F CA 0.605 58.386 58.000 -0.365 0.000 1.438 152 F CB -0.231 38.524 39.000 -0.408 0.000 1.107 152 F HN 0.220 nan 8.300 nan 0.000 0.546 153 Y N -0.720 119.478 120.300 -0.171 0.000 2.500 153 Y HA 0.428 4.978 4.550 0.001 0.000 0.246 153 Y C 1.888 177.468 175.900 -0.535 0.000 1.146 153 Y CA -0.064 57.785 58.100 -0.418 0.000 1.230 153 Y CB 0.507 38.515 38.460 -0.753 0.000 1.214 153 Y HN 0.117 nan 8.280 nan 0.000 0.526 154 G N 0.109 108.755 108.800 -0.256 0.000 2.212 154 G HA2 -0.361 3.600 3.960 0.001 0.000 0.266 154 G HA3 -0.361 3.600 3.960 0.001 0.000 0.266 154 G C -0.017 174.874 174.900 -0.014 0.000 0.978 154 G CA 0.724 45.753 45.100 -0.118 0.000 0.632 154 G HN 0.419 nan 8.290 nan 0.000 0.537 155 Y N -0.664 119.703 120.300 0.111 0.000 2.568 155 Y HA 0.820 5.371 4.550 0.001 0.000 0.327 155 Y C 0.626 176.586 175.900 0.100 0.000 1.163 155 Y CA -2.595 55.571 58.100 0.111 0.000 1.219 155 Y CB 0.282 38.800 38.460 0.096 0.000 1.308 155 Y HN 0.262 nan 8.280 nan 0.000 0.503 156 H N 1.777 121.023 119.070 0.294 0.000 2.822 156 H HA 0.048 4.604 4.556 0.001 0.000 0.373 156 H C 1.034 176.397 175.328 0.059 0.000 1.223 156 H CA 0.282 56.425 56.048 0.158 0.000 1.436 156 H CB 1.031 30.907 29.762 0.191 0.000 1.439 156 H HN 0.786 nan 8.280 nan 0.000 0.618 157 M N 2.424 121.969 119.600 -0.092 0.000 2.213 157 M HA -0.103 4.378 4.480 0.001 0.000 0.263 157 M C 2.337 178.426 176.300 -0.351 0.000 1.062 157 M CA 1.412 56.709 55.300 -0.005 0.000 1.105 157 M CB -1.426 31.281 32.600 0.177 0.000 1.385 157 M HN 0.782 nan 8.290 nan 0.000 0.417 158 G N -0.716 107.693 108.800 -0.652 0.000 2.448 158 G HA2 -0.167 3.794 3.960 0.001 0.000 0.219 158 G HA3 -0.167 3.794 3.960 0.001 0.000 0.219 158 G C 1.545 175.660 174.900 -1.308 0.000 1.127 158 G CA 1.294 45.286 45.100 -1.845 0.000 0.766 158 G HN 0.399 nan 8.290 nan 0.000 0.552 159 T N 0.985 115.061 114.554 -0.797 0.000 2.821 159 T HA -0.157 4.193 4.350 0.001 0.000 0.267 159 T C 2.831 177.207 174.700 -0.539 0.000 1.046 159 T CA 2.058 63.801 62.100 -0.595 0.000 1.139 159 T CB -0.515 67.908 68.868 -0.740 0.000 0.871 159 T HN 0.589 nan 8.240 nan 0.000 0.454 160 T N 0.830 115.164 114.554 -0.367 0.000 2.881 160 T HA 0.020 4.371 4.350 0.001 0.000 0.270 160 T C 2.162 176.683 174.700 -0.299 0.000 1.068 160 T CA 1.171 63.144 62.100 -0.211 0.000 1.131 160 T CB -0.446 68.400 68.868 -0.036 0.000 0.871 160 T HN 0.313 nan 8.240 nan 0.000 0.479 161 A N 1.381 123.867 122.820 -0.555 0.000 1.969 161 A HA -0.006 4.315 4.320 0.001 0.000 0.218 161 A C 2.462 179.858 177.584 -0.312 0.000 1.169 161 A CA 1.215 52.926 52.037 -0.543 0.000 0.635 161 A CB -0.481 17.847 19.000 -1.120 0.000 0.810 161 A HN 0.444 nan 8.150 nan 0.000 0.445 162 E N 0.760 120.770 120.200 -0.317 0.000 2.051 162 E HA -0.159 4.191 4.350 0.001 0.000 0.192 162 E C 1.767 178.281 176.600 -0.144 0.000 0.991 162 E CA 1.115 57.402 56.400 -0.188 0.000 0.799 162 E CB -0.413 29.173 29.700 -0.189 0.000 0.748 162 E HN 0.582 nan 8.360 nan 0.000 0.449 163 N N 0.520 119.115 118.700 -0.176 0.000 2.043 163 N HA -0.140 4.600 4.740 0.001 0.000 0.193 163 N C 2.076 177.562 175.510 -0.040 0.000 1.037 163 N CA 1.146 54.127 53.050 -0.115 0.000 0.851 163 N CB -0.622 37.789 38.487 -0.127 0.000 1.027 163 N HN 0.016 nan 8.380 nan 0.000 0.422 164 V N 1.701 121.602 119.914 -0.022 0.000 2.407 164 V HA -0.178 3.942 4.120 0.001 0.000 0.248 164 V C 2.450 178.624 176.094 0.132 0.000 1.055 164 V CA 1.655 64.009 62.300 0.090 0.000 1.049 164 V CB -0.990 30.861 31.823 0.047 0.000 0.662 164 V HN 0.306 nan 8.190 nan 0.000 0.455 165 A N -0.036 122.802 122.820 0.030 0.000 1.883 165 A HA -0.249 4.072 4.320 0.001 0.000 0.217 165 A C 2.297 179.920 177.584 0.065 0.000 1.186 165 A CA 2.034 54.095 52.037 0.040 0.000 0.624 165 A CB -0.408 18.587 19.000 -0.008 0.000 0.822 165 A HN 0.550 nan 8.150 nan 0.000 0.444 166 K N -0.770 119.644 120.400 0.024 0.000 2.217 166 K HA -0.075 4.245 4.320 0.001 0.000 0.202 166 K C 2.287 178.889 176.600 0.003 0.000 1.051 166 K CA 1.061 57.352 56.287 0.007 0.000 0.952 166 K CB -0.124 32.362 32.500 -0.024 0.000 0.736 166 K HN 0.582 nan 8.250 nan 0.000 0.453 167 Q N -0.493 119.317 119.800 0.018 0.000 2.050 167 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 167 Q C 1.200 177.117 176.000 -0.138 0.000 0.980 167 Q CA 1.546 57.311 55.803 -0.063 0.000 0.840 167 Q CB 0.005 28.724 28.738 -0.032 0.000 0.898 167 Q HN 0.423 nan 8.270 nan 0.000 0.424 168 W N 0.513 121.787 121.300 -0.044 0.000 3.290 168 W HA 0.130 4.791 4.660 0.001 0.000 0.287 168 W C -0.073 176.426 176.519 -0.033 0.000 1.288 168 W CA -0.068 57.253 57.345 -0.039 0.000 1.725 168 W CB 0.424 29.857 29.460 -0.045 0.000 1.103 168 W HN 0.158 nan 8.180 nan 0.000 0.670 169 Q N 0.290 120.164 119.800 0.124 0.000 2.451 169 Q HA -0.221 4.119 4.340 0.001 0.000 0.305 169 Q C -0.482 175.570 176.000 0.088 0.000 1.345 169 Q CA 0.340 56.187 55.803 0.073 0.000 0.854 169 Q CB -2.247 26.515 28.738 0.039 0.000 1.162 169 Q HN 0.329 nan 8.270 nan 0.000 0.440 170 L N 1.623 122.903 121.223 0.095 0.000 2.295 170 L HA 0.195 4.535 4.340 0.001 0.000 0.288 170 L C 1.047 177.941 176.870 0.040 0.000 1.079 170 L CA -0.312 54.565 54.840 0.061 0.000 0.830 170 L CB 0.667 42.746 42.059 0.033 0.000 1.200 170 L HN 0.246 nan 8.230 nan 0.000 0.438 171 S N 1.960 117.683 115.700 0.039 0.000 2.580 171 S HA 0.052 4.523 4.470 0.001 0.000 0.266 171 S C 1.062 175.684 174.600 0.036 0.000 1.354 171 S CA -0.600 57.621 58.200 0.034 0.000 1.008 171 S CB 1.108 64.328 63.200 0.033 0.000 0.898 171 S HN 0.694 nan 8.310 nan 0.000 0.555 172 R N 0.835 121.356 120.500 0.035 0.000 2.120 172 R HA -0.103 4.238 4.340 0.001 0.000 0.234 172 R C 1.194 177.523 176.300 0.048 0.000 1.123 172 R CA 2.035 58.159 56.100 0.041 0.000 0.975 172 R CB -0.856 29.465 30.300 0.034 0.000 0.866 172 R HN 0.764 nan 8.270 nan 0.000 0.446 173 D N 0.245 120.671 120.400 0.043 0.000 2.084 173 D HA -0.185 4.455 4.640 0.001 0.000 0.196 173 D C 1.614 177.950 176.300 0.060 0.000 0.985 173 D CA 1.580 55.608 54.000 0.047 0.000 0.826 173 D CB -0.380 40.443 40.800 0.038 0.000 0.978 173 D HN 0.499 nan 8.370 nan 0.000 0.456 174 E N 0.772 121.007 120.200 0.058 0.000 2.097 174 E HA -0.250 4.100 4.350 0.001 0.000 0.196 174 E C 1.971 178.629 176.600 0.096 0.000 1.000 174 E CA 1.302 57.744 56.400 0.070 0.000 0.804 174 E CB 0.066 29.795 29.700 0.049 0.000 0.740 174 E HN 0.295 nan 8.360 nan 0.000 0.454 175 Q N -0.269 119.577 119.800 0.078 0.000 2.123 175 Q HA -0.139 4.201 4.340 0.001 0.000 0.199 175 Q C 1.677 177.771 176.000 0.158 0.000 0.966 175 Q CA 1.394 57.255 55.803 0.096 0.000 0.845 175 Q CB 0.103 28.883 28.738 0.070 0.000 0.907 175 Q HN 0.301 nan 8.270 nan 0.000 0.439 176 D N 0.212 120.683 120.400 0.117 0.000 2.149 176 D HA -0.060 4.580 4.640 0.001 0.000 0.201 176 D C 1.562 177.924 176.300 0.104 0.000 0.972 176 D CA 1.102 55.164 54.000 0.104 0.000 0.835 176 D CB -0.010 40.832 40.800 0.069 0.000 0.966 176 D HN 0.240 nan 8.370 nan 0.000 0.476 177 A N -0.468 122.418 122.820 0.110 0.000 2.016 177 A HA -0.055 4.266 4.320 0.001 0.000 0.217 177 A C 1.902 179.554 177.584 0.114 0.000 1.162 177 A CA 0.455 52.546 52.037 0.090 0.000 0.662 177 A CB -0.705 18.343 19.000 0.080 0.000 0.812 177 A HN 0.287 nan 8.150 nan 0.000 0.450 178 F N 0.683 120.645 119.950 0.020 0.000 2.293 178 F HA 0.139 4.666 4.527 0.001 0.000 0.297 178 F C 2.345 178.155 175.800 0.018 0.000 1.089 178 F CA 0.930 58.941 58.000 0.019 0.000 1.377 178 F CB -0.146 38.867 39.000 0.023 0.000 1.051 178 F HN 0.223 nan 8.300 nan 0.000 0.511 179 A N -0.312 122.621 122.820 0.187 0.000 1.930 179 A HA -0.066 4.255 4.320 0.001 0.000 0.217 179 A C 2.181 179.749 177.584 -0.026 0.000 1.175 179 A CA 1.821 53.912 52.037 0.090 0.000 0.627 179 A CB -1.180 17.900 19.000 0.132 0.000 0.815 179 A HN 0.250 nan 8.150 nan 0.000 0.443 180 V N -0.415 119.487 119.914 -0.020 0.000 2.488 180 V HA -0.101 4.019 4.120 0.001 0.000 0.246 180 V C 2.976 179.020 176.094 -0.082 0.000 1.046 180 V CA 1.407 63.682 62.300 -0.041 0.000 1.053 180 V CB -1.003 30.810 31.823 -0.016 0.000 0.679 180 V HN 0.582 nan 8.190 nan 0.000 0.458 181 A N -0.193 122.559 122.820 -0.113 0.000 1.883 181 A HA -0.271 4.049 4.320 0.001 0.000 0.217 181 A C 2.569 180.035 177.584 -0.196 0.000 1.186 181 A CA 2.401 54.347 52.037 -0.152 0.000 0.624 181 A CB -0.939 17.950 19.000 -0.185 0.000 0.822 181 A HN 0.475 nan 8.150 nan 0.000 0.444 182 S N -1.050 114.478 115.700 -0.287 0.000 2.383 182 S HA -0.200 4.270 4.470 0.001 0.000 0.229 182 S C 2.100 176.620 174.600 -0.134 0.000 1.030 182 S CA 1.638 59.686 58.200 -0.253 0.000 1.002 182 S CB -0.378 62.636 63.200 -0.310 0.000 0.829 182 S HN 0.600 nan 8.310 nan 0.000 0.467 183 Q N 0.620 120.350 119.800 -0.116 0.000 2.245 183 Q HA 0.056 4.396 4.340 0.001 0.000 0.201 183 Q C 1.776 177.717 176.000 -0.097 0.000 0.955 183 Q CA 0.963 56.708 55.803 -0.097 0.000 0.870 183 Q CB -0.487 28.196 28.738 -0.092 0.000 0.945 183 Q HN 0.721 nan 8.270 nan 0.000 0.461 184 N N 0.396 119.039 118.700 -0.095 0.000 2.251 184 N HA -0.055 4.685 4.740 0.001 0.000 0.181 184 N C 1.667 177.124 175.510 -0.089 0.000 1.019 184 N CA 0.378 53.373 53.050 -0.091 0.000 0.862 184 N CB 0.167 38.608 38.487 -0.077 0.000 0.992 184 N HN 0.103 nan 8.380 nan 0.000 0.429 185 K N 1.069 121.417 120.400 -0.086 0.000 2.032 185 K HA -0.085 4.235 4.320 0.001 0.000 0.209 185 K C 2.131 178.702 176.600 -0.048 0.000 1.048 185 K CA 1.313 57.555 56.287 -0.075 0.000 0.927 185 K CB -0.125 32.326 32.500 -0.082 0.000 0.712 185 K HN 0.140 nan 8.250 nan 0.000 0.441 186 A N 1.423 124.236 122.820 -0.012 0.000 1.897 186 A HA -0.179 4.141 4.320 0.001 0.000 0.215 186 A C 2.074 179.699 177.584 0.068 0.000 1.181 186 A CA 1.268 53.366 52.037 0.101 0.000 0.620 186 A CB -0.352 18.700 19.000 0.087 0.000 0.821 186 A HN 0.328 nan 8.150 nan 0.000 0.443 187 E N 0.175 120.330 120.200 -0.074 0.000 2.110 187 E HA -0.156 4.194 4.350 0.001 0.000 0.193 187 E C 2.124 178.633 176.600 -0.151 0.000 0.988 187 E CA 1.065 57.340 56.400 -0.208 0.000 0.804 187 E CB -0.192 29.301 29.700 -0.345 0.000 0.745 187 E HN 0.514 nan 8.360 nan 0.000 0.458 188 A N 1.229 123.979 122.820 -0.115 0.000 1.898 188 A HA -0.048 4.273 4.320 0.001 0.000 0.216 188 A C 2.390 179.893 177.584 -0.135 0.000 1.181 188 A CA 1.769 53.741 52.037 -0.110 0.000 0.620 188 A CB -0.631 18.311 19.000 -0.097 0.000 0.819 188 A HN 0.375 nan 8.150 nan 0.000 0.442 189 A N -0.946 121.763 122.820 -0.184 0.000 1.898 189 A HA -0.193 4.127 4.320 0.001 0.000 0.216 189 A C 2.196 179.552 177.584 -0.380 0.000 1.181 189 A CA 1.723 53.529 52.037 -0.384 0.000 0.620 189 A CB -0.575 18.012 19.000 -0.688 0.000 0.819 189 A HN 0.647 nan 8.150 nan 0.000 0.442 190 Q N -0.179 119.551 119.800 -0.116 0.000 2.061 190 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 190 Q C 2.007 178.023 176.000 0.026 0.000 0.984 190 Q CA 1.836 57.707 55.803 0.113 0.000 0.846 190 Q CB -0.145 28.738 28.738 0.242 0.000 0.902 190 Q HN 0.635 nan 8.270 nan 0.000 0.421 191 K N 0.156 120.547 120.400 -0.015 0.000 2.063 191 K HA -0.153 4.167 4.320 0.001 0.000 0.208 191 K C 1.135 177.717 176.600 -0.030 0.000 1.048 191 K CA 1.461 57.742 56.287 -0.009 0.000 0.928 191 K CB 0.015 32.498 32.500 -0.029 0.000 0.713 191 K HN 0.272 nan 8.250 nan 0.000 0.442 192 D N -0.579 119.778 120.400 -0.072 0.000 2.328 192 D HA 0.053 4.693 4.640 0.001 0.000 0.226 192 D C 0.714 176.961 176.300 -0.089 0.000 1.066 192 D CA 0.467 54.418 54.000 -0.081 0.000 0.861 192 D CB 0.266 41.004 40.800 -0.104 0.000 0.912 192 D HN 0.359 nan 8.370 nan 0.000 0.521 193 G N 1.470 110.223 108.800 -0.079 0.000 2.225 193 G HA2 -0.407 3.554 3.960 0.001 0.000 0.267 193 G HA3 -0.407 3.554 3.960 0.001 0.000 0.267 193 G C 1.124 175.958 174.900 -0.110 0.000 1.024 193 G CA 0.089 45.154 45.100 -0.059 0.000 0.784 193 G HN 0.353 nan 8.290 nan 0.000 0.507 194 R N -1.304 119.052 120.500 -0.240 0.000 2.307 194 R HA 0.160 4.500 4.340 0.001 0.000 0.199 194 R C 1.200 177.318 176.300 -0.305 0.000 1.000 194 R CA 0.703 56.623 56.100 -0.300 0.000 1.023 194 R CB -0.085 29.968 30.300 -0.411 0.000 0.908 194 R HN 0.450 nan 8.270 nan 0.000 0.473 195 F N 0.039 119.964 119.950 -0.042 0.000 2.695 195 F HA 0.186 4.714 4.527 0.001 0.000 0.303 195 F C 1.996 177.735 175.800 -0.102 0.000 1.091 195 F CA -0.191 57.773 58.000 -0.061 0.000 1.300 195 F CB 0.025 39.007 39.000 -0.030 0.000 1.071 195 F HN -0.166 nan 8.300 nan 0.000 0.578 196 K N 0.661 121.087 120.400 0.043 0.000 2.057 196 K HA -0.149 4.172 4.320 0.001 0.000 0.206 196 K C 1.424 177.955 176.600 -0.114 0.000 1.050 196 K CA 1.737 58.016 56.287 -0.013 0.000 0.935 196 K CB -0.037 32.454 32.500 -0.015 0.000 0.715 196 K HN -0.006 nan 8.250 nan 0.000 0.439 197 D N 0.983 121.264 120.400 -0.198 0.000 2.104 197 D HA -0.208 4.433 4.640 0.001 0.000 0.194 197 D C 1.858 177.679 176.300 -0.797 0.000 0.994 197 D CA 1.714 55.478 54.000 -0.393 0.000 0.830 197 D CB -0.106 40.488 40.800 -0.343 0.000 0.959 197 D HN 0.573 nan 8.370 nan 0.000 0.452 198 E N 0.264 119.923 120.200 -0.902 0.000 2.158 198 E HA -0.061 4.289 4.350 0.001 0.000 0.191 198 E C 0.833 177.275 176.600 -0.264 0.000 0.982 198 E CA 0.202 56.107 56.400 -0.825 0.000 0.823 198 E CB -0.010 29.462 29.700 -0.381 0.000 0.766 198 E HN 0.227 nan 8.360 nan 0.000 0.468 199 I N 2.593 123.073 120.570 -0.150 0.000 2.471 199 I HA 0.037 4.208 4.170 0.001 0.000 0.286 199 I C -0.272 175.827 176.117 -0.030 0.000 1.079 199 I CA -0.442 60.832 61.300 -0.044 0.000 1.398 199 I CB 1.610 39.613 38.000 0.005 0.000 1.403 199 I HN -0.030 nan 8.210 nan 0.000 0.530 200 V N 9.538 129.457 119.914 0.009 0.000 2.394 200 V HA 0.428 4.548 4.120 0.001 0.000 0.282 200 V C -2.131 174.006 176.094 0.071 0.000 1.031 200 V CA -2.084 60.233 62.300 0.029 0.000 0.881 200 V CB 1.665 33.507 31.823 0.032 0.000 0.982 200 V HN 0.532 nan 8.190 nan 0.000 0.451 201 P HA 0.100 nan 4.420 nan 0.000 0.264 201 P C -1.209 176.172 177.300 0.135 0.000 1.183 201 P CA 0.359 63.517 63.100 0.097 0.000 0.763 201 P CB 0.116 31.845 31.700 0.048 0.000 0.807 202 F N 3.894 123.873 119.950 0.049 0.000 2.443 202 F HA 0.475 5.002 4.527 0.001 0.000 0.335 202 F C -0.269 175.562 175.800 0.052 0.000 1.104 202 F CA -0.893 57.114 58.000 0.010 0.000 1.013 202 F CB 0.778 39.735 39.000 -0.071 0.000 1.136 202 F HN 0.121 nan 8.300 nan 0.000 0.470 203 I N 7.313 127.505 120.570 -0.631 0.000 2.297 203 I HA 0.206 4.376 4.170 0.001 0.000 0.291 203 I C -0.699 175.178 176.117 -0.399 0.000 1.033 203 I CA -0.908 60.180 61.300 -0.354 0.000 1.253 203 I CB 1.176 39.010 38.000 -0.276 0.000 1.396 203 I HN 0.229 nan 8.210 nan 0.000 0.476 204 V N 7.502 127.430 119.914 0.024 0.000 2.370 204 V HA 0.100 4.221 4.120 0.001 0.000 0.257 204 V C 0.770 176.893 176.094 0.047 0.000 1.064 204 V CA -0.625 61.776 62.300 0.168 0.000 0.975 204 V CB -0.182 31.815 31.823 0.290 0.000 1.067 204 V HN 0.631 nan 8.190 nan 0.000 0.485 205 K N 3.563 123.965 120.400 0.004 0.000 2.401 205 K HA 0.494 4.815 4.320 0.001 0.000 0.278 205 K C 0.497 177.107 176.600 0.016 0.000 1.018 205 K CA 0.143 56.423 56.287 -0.012 0.000 0.981 205 K CB 1.302 33.785 32.500 -0.028 0.000 0.933 205 K HN 0.840 nan 8.250 nan 0.000 0.477 206 G N 1.123 109.928 108.800 0.007 0.000 2.672 206 G HA2 0.211 4.171 3.960 0.001 0.000 0.292 206 G HA3 0.211 4.171 3.960 0.001 0.000 0.292 206 G C 0.564 175.467 174.900 0.005 0.000 1.375 206 G CA -0.721 44.386 45.100 0.012 0.000 0.890 206 G HN 0.520 nan 8.290 nan 0.000 0.476 207 R N 0.404 120.908 120.500 0.006 0.000 2.062 207 R HA 0.011 4.351 4.340 0.001 0.000 0.231 207 R C 0.418 176.719 176.300 0.001 0.000 1.136 207 R CA 0.859 56.961 56.100 0.003 0.000 0.948 207 R CB -0.468 29.834 30.300 0.004 0.000 0.845 207 R HN 0.415 nan 8.270 nan 0.000 0.430 208 K N 1.229 121.630 120.400 0.002 0.000 3.129 208 K HA 0.351 4.672 4.320 0.001 0.000 0.224 208 K C -0.467 176.133 176.600 0.000 0.000 1.249 208 K CA 0.248 56.535 56.287 0.000 0.000 1.177 208 K CB 0.931 33.431 32.500 -0.000 0.000 1.393 208 K HN 0.547 nan 8.250 nan 0.000 0.459 209 G N 1.454 110.254 108.800 -0.001 0.000 2.770 209 G HA2 -0.137 3.824 3.960 0.001 0.000 0.686 209 G HA3 -0.137 3.824 3.960 0.001 0.000 0.686 209 G C -1.411 173.489 174.900 0.000 0.000 1.180 209 G CA -1.152 43.947 45.100 -0.002 0.000 0.767 209 G HN 0.216 nan 8.290 nan 0.000 0.646 210 D N 0.165 120.562 120.400 -0.005 0.000 2.313 210 D HA 0.673 5.314 4.640 0.001 0.000 0.247 210 D C 0.773 177.075 176.300 0.003 0.000 1.094 210 D CA 0.282 54.278 54.000 -0.007 0.000 0.925 210 D CB 1.380 42.166 40.800 -0.024 0.000 1.188 210 D HN 0.508 nan 8.370 nan 0.000 0.430 211 I N 0.522 121.101 120.570 0.016 0.000 2.582 211 I HA 0.173 4.343 4.170 0.001 0.000 0.292 211 I C -0.272 175.874 176.117 0.048 0.000 1.066 211 I CA -0.580 60.738 61.300 0.031 0.000 1.053 211 I CB 2.305 40.331 38.000 0.043 0.000 1.241 211 I HN 0.019 nan 8.210 nan 0.000 0.421 212 T N 5.279 119.858 114.554 0.042 0.000 2.801 212 T HA 0.353 4.704 4.350 0.001 0.000 0.306 212 T C -0.200 174.550 174.700 0.084 0.000 1.020 212 T CA -0.370 61.764 62.100 0.057 0.000 0.948 212 T CB 0.920 69.804 68.868 0.027 0.000 0.962 212 T HN 0.158 nan 8.240 nan 0.000 0.465 213 V N 4.901 124.908 119.914 0.156 0.000 2.406 213 V HA 0.315 4.435 4.120 0.001 0.000 0.272 213 V C 0.578 176.769 176.094 0.161 0.000 1.043 213 V CA -0.501 61.888 62.300 0.148 0.000 0.915 213 V CB 1.049 32.989 31.823 0.195 0.000 0.988 213 V HN 0.970 nan 8.190 nan 0.000 0.466 214 D N 2.734 123.191 120.400 0.096 0.000 2.594 214 D HA 0.375 5.015 4.640 0.001 0.000 0.256 214 D C -0.072 176.268 176.300 0.066 0.000 1.393 214 D CA 0.121 54.172 54.000 0.086 0.000 0.797 214 D CB 0.886 41.724 40.800 0.063 0.000 1.110 214 D HN 0.554 nan 8.370 nan 0.000 0.495 215 A N 0.228 123.078 122.820 0.050 0.000 2.398 215 A HA 0.439 4.759 4.320 0.001 0.000 0.301 215 A C -0.924 176.666 177.584 0.010 0.000 1.041 215 A CA -0.781 51.282 52.037 0.042 0.000 0.711 215 A CB 1.237 20.266 19.000 0.049 0.000 1.240 215 A HN 0.007 nan 8.150 nan 0.000 0.420 216 D N 2.707 123.104 120.400 -0.006 0.000 2.368 216 D HA 0.027 4.668 4.640 0.001 0.000 0.268 216 D C 1.025 177.338 176.300 0.022 0.000 1.298 216 D CA 0.641 54.624 54.000 -0.029 0.000 0.938 216 D CB 0.842 41.574 40.800 -0.114 0.000 1.101 216 D HN 0.775 nan 8.370 nan 0.000 0.509 217 E N 1.682 121.887 120.200 0.009 0.000 2.478 217 E HA -0.173 4.178 4.350 0.001 0.000 0.194 217 E C 1.243 177.905 176.600 0.103 0.000 1.045 217 E CA 0.177 56.591 56.400 0.022 0.000 0.868 217 E CB -0.047 29.628 29.700 -0.042 0.000 0.885 217 E HN 0.450 nan 8.360 nan 0.000 0.505 218 Y N 1.832 122.120 120.300 -0.020 0.000 2.475 218 Y HA 0.217 4.768 4.550 0.001 0.000 0.289 218 Y C 0.529 176.445 175.900 0.027 0.000 1.121 218 Y CA -0.760 57.342 58.100 0.003 0.000 1.257 218 Y CB 0.225 38.686 38.460 0.001 0.000 1.026 218 Y HN -0.108 nan 8.280 nan 0.000 0.555 219 I N 2.964 123.516 120.570 -0.030 0.000 2.741 219 I HA -0.087 4.083 4.170 0.001 0.000 0.288 219 I C 0.266 176.374 176.117 -0.015 0.000 1.192 219 I CA 0.666 61.928 61.300 -0.063 0.000 1.426 219 I CB 0.240 38.259 38.000 0.031 0.000 1.367 219 I HN -0.006 nan 8.210 nan 0.000 0.563 220 R N 5.429 125.868 120.500 -0.102 0.000 2.234 220 R HA 0.291 4.632 4.340 0.001 0.000 0.324 220 R C -0.608 175.729 176.300 0.062 0.000 1.054 220 R CA -0.788 55.299 56.100 -0.022 0.000 0.912 220 R CB 0.466 30.707 30.300 -0.099 0.000 1.030 220 R HN 0.463 nan 8.270 nan 0.000 0.455 221 H N 0.552 119.588 119.070 -0.057 0.000 2.582 221 H HA 0.168 4.725 4.556 0.001 0.000 0.345 221 H C 1.188 176.495 175.328 -0.035 0.000 1.104 221 H CA 0.545 56.571 56.048 -0.036 0.000 1.390 221 H CB 1.246 30.993 29.762 -0.025 0.000 1.461 221 H HN 0.901 nan 8.280 nan 0.000 0.551 222 G N 1.615 110.437 108.800 0.036 0.000 2.356 222 G HA2 -0.180 3.780 3.960 0.001 0.000 0.296 222 G HA3 -0.180 3.780 3.960 0.001 0.000 0.296 222 G C 0.330 175.229 174.900 -0.002 0.000 1.022 222 G CA 0.174 45.281 45.100 0.012 0.000 0.961 222 G HN 0.888 nan 8.290 nan 0.000 0.510 223 A N 0.234 123.041 122.820 -0.022 0.000 2.492 223 A HA 0.665 4.985 4.320 0.001 0.000 0.254 223 A C 0.929 178.500 177.584 -0.021 0.000 1.091 223 A CA 1.181 53.202 52.037 -0.026 0.000 0.768 223 A CB 0.403 19.375 19.000 -0.046 0.000 1.028 223 A HN 1.907 nan 8.150 nan 0.000 0.498 224 T N 1.265 115.812 114.554 -0.012 0.000 2.940 224 T HA 0.414 4.765 4.350 0.001 0.000 0.288 224 T C 0.884 175.583 174.700 -0.001 0.000 1.033 224 T CA -0.624 61.472 62.100 -0.006 0.000 1.033 224 T CB 0.874 69.741 68.868 -0.002 0.000 1.079 224 T HN 0.542 nan 8.240 nan 0.000 0.496 225 L N 1.647 122.871 121.223 0.002 0.000 2.046 225 L HA 0.086 4.426 4.340 0.001 0.000 0.208 225 L C 2.041 178.918 176.870 0.012 0.000 1.077 225 L CA 1.971 56.817 54.840 0.009 0.000 0.747 225 L CB -1.004 41.061 42.059 0.011 0.000 0.896 225 L HN 0.781 nan 8.230 nan 0.000 0.432 226 D N -0.972 119.433 120.400 0.008 0.000 2.178 226 D HA -0.154 4.486 4.640 0.001 0.000 0.201 226 D C 2.354 178.659 176.300 0.009 0.000 0.980 226 D CA 1.475 55.480 54.000 0.009 0.000 0.842 226 D CB 0.024 40.827 40.800 0.006 0.000 0.948 226 D HN 0.563 nan 8.370 nan 0.000 0.472 227 S N -0.065 115.639 115.700 0.006 0.000 2.383 227 S HA -0.162 4.309 4.470 0.001 0.000 0.227 227 S C 1.958 176.564 174.600 0.010 0.000 1.026 227 S CA 0.731 58.934 58.200 0.006 0.000 0.981 227 S CB -0.145 63.056 63.200 0.001 0.000 0.818 227 S HN -0.002 nan 8.310 nan 0.000 0.472 228 M N 2.260 121.868 119.600 0.014 0.000 2.200 228 M HA 0.327 4.808 4.480 0.001 0.000 0.265 228 M C 2.238 178.553 176.300 0.026 0.000 1.066 228 M CA 1.165 56.480 55.300 0.024 0.000 1.127 228 M CB -1.074 31.544 32.600 0.031 0.000 1.379 228 M HN 0.493 nan 8.290 nan 0.000 0.420 229 A N -1.425 121.408 122.820 0.022 0.000 2.167 229 A HA -0.056 4.264 4.320 0.001 0.000 0.214 229 A C 2.045 179.638 177.584 0.015 0.000 1.151 229 A CA 0.937 52.986 52.037 0.021 0.000 0.735 229 A CB -0.523 18.489 19.000 0.019 0.000 0.802 229 A HN 0.474 nan 8.150 nan 0.000 0.467 230 K N -0.527 119.880 120.400 0.012 0.000 2.366 230 K HA 0.173 4.493 4.320 0.001 0.000 0.198 230 K C 0.030 176.634 176.600 0.007 0.000 1.044 230 K CA 0.058 56.350 56.287 0.008 0.000 0.973 230 K CB -0.136 32.368 32.500 0.006 0.000 0.767 230 K HN 0.439 nan 8.250 nan 0.000 0.475 231 L N 1.096 122.325 121.223 0.009 0.000 2.453 231 L HA 0.187 4.527 4.340 0.001 0.000 0.261 231 L C 0.304 177.174 176.870 -0.001 0.000 1.179 231 L CA -0.505 54.338 54.840 0.005 0.000 0.813 231 L CB 0.626 42.691 42.059 0.010 0.000 1.110 231 L HN -0.047 nan 8.230 nan 0.000 0.466 232 R N 1.185 121.677 120.500 -0.014 0.000 2.486 232 R HA 0.352 4.692 4.340 0.001 0.000 0.286 232 R C -2.351 173.926 176.300 -0.039 0.000 0.999 232 R CA -1.520 54.566 56.100 -0.023 0.000 0.993 232 R CB 0.652 30.933 30.300 -0.031 0.000 1.084 232 R HN 0.311 nan 8.270 nan 0.000 0.487 233 P HA 0.005 nan 4.420 nan 0.000 0.267 233 P C -0.510 176.710 177.300 -0.133 0.000 1.205 233 P CA 0.248 63.322 63.100 -0.044 0.000 0.765 233 P CB 1.156 32.851 31.700 -0.008 0.000 0.828 234 A N 2.256 124.903 122.820 -0.288 0.000 1.984 234 A HA 0.024 4.345 4.320 0.001 0.000 0.214 234 A C 1.129 178.333 177.584 -0.633 0.000 1.173 234 A CA 1.104 52.798 52.037 -0.571 0.000 0.673 234 A CB -0.803 17.639 19.000 -0.930 0.000 0.830 234 A HN 0.464 nan 8.150 nan 0.000 0.453 235 F N -0.502 119.408 119.950 -0.067 0.000 2.389 235 F HA 0.254 4.781 4.527 0.001 0.000 0.275 235 F C 0.709 176.467 175.800 -0.069 0.000 1.009 235 F CA -0.269 57.681 58.000 -0.083 0.000 1.187 235 F CB -0.363 38.570 39.000 -0.110 0.000 1.139 235 F HN -0.041 nan 8.300 nan 0.000 0.613 236 D N 0.982 121.462 120.400 0.133 0.000 2.249 236 D HA 0.133 4.773 4.640 0.001 0.000 0.246 236 D C 0.549 176.859 176.300 0.017 0.000 1.114 236 D CA 0.038 54.063 54.000 0.041 0.000 0.854 236 D CB 1.607 42.415 40.800 0.013 0.000 1.132 236 D HN -0.150 nan 8.370 nan 0.000 0.461 237 K N 1.583 121.986 120.400 0.005 0.000 2.504 237 K HA -0.062 4.259 4.320 0.001 0.000 0.195 237 K C 0.923 177.521 176.600 -0.003 0.000 1.036 237 K CA 0.578 56.862 56.287 -0.005 0.000 0.984 237 K CB 0.114 32.612 32.500 -0.004 0.000 0.788 237 K HN 0.607 nan 8.250 nan 0.000 0.488 238 E N -1.666 118.534 120.200 0.000 0.000 2.812 238 E HA 0.219 4.570 4.350 0.001 0.000 0.211 238 E C 0.648 177.250 176.600 0.003 0.000 0.986 238 E CA -0.368 56.032 56.400 0.001 0.000 1.119 238 E CB 0.433 30.132 29.700 -0.001 0.000 1.046 238 E HN 0.041 nan 8.360 nan 0.000 0.474 239 G N 0.959 109.763 108.800 0.008 0.000 2.574 239 G HA2 0.272 4.233 3.960 0.001 0.000 0.248 239 G HA3 0.272 4.233 3.960 0.001 0.000 0.248 239 G C 0.795 175.708 174.900 0.022 0.000 1.422 239 G CA 0.466 45.574 45.100 0.012 0.000 1.051 239 G HN 0.142 nan 8.290 nan 0.000 0.560 240 T N -3.765 110.809 114.554 0.033 0.000 2.958 240 T HA 0.237 4.588 4.350 0.001 0.000 0.256 240 T C 0.287 175.030 174.700 0.071 0.000 0.983 240 T CA -0.029 62.096 62.100 0.042 0.000 0.924 240 T CB 0.292 69.179 68.868 0.031 0.000 1.136 240 T HN 0.222 nan 8.240 nan 0.000 0.506 241 V N 4.207 124.184 119.914 0.105 0.000 2.368 241 V HA 0.539 4.660 4.120 0.001 0.000 0.266 241 V C 0.728 176.937 176.094 0.191 0.000 1.045 241 V CA -0.369 62.043 62.300 0.187 0.000 0.899 241 V CB 0.445 32.406 31.823 0.230 0.000 1.006 241 V HN 0.721 nan 8.190 nan 0.000 0.470 242 T N 2.220 116.864 114.554 0.150 0.000 2.937 242 T HA 0.655 5.005 4.350 0.001 0.000 0.283 242 T C 1.218 175.985 174.700 0.111 0.000 1.012 242 T CA -0.040 62.103 62.100 0.073 0.000 0.997 242 T CB 1.972 70.871 68.868 0.052 0.000 1.136 242 T HN 0.548 nan 8.240 nan 0.000 0.551 243 A N 0.099 122.941 122.820 0.038 0.000 2.067 243 A HA 0.247 4.568 4.320 0.001 0.000 0.219 243 A C 2.248 179.901 177.584 0.115 0.000 1.158 243 A CA 1.477 53.558 52.037 0.073 0.000 0.661 243 A CB -1.450 17.563 19.000 0.022 0.000 0.801 243 A HN 1.068 nan 8.150 nan 0.000 0.452 244 G N 0.795 109.649 108.800 0.090 0.000 2.408 244 G HA2 -0.157 3.803 3.960 0.001 0.000 0.215 244 G HA3 -0.157 3.803 3.960 0.001 0.000 0.215 244 G C 1.044 176.010 174.900 0.110 0.000 1.156 244 G CA 0.978 46.126 45.100 0.080 0.000 0.793 244 G HN 0.759 nan 8.290 nan 0.000 0.535 245 N N 0.143 118.932 118.700 0.148 0.000 2.235 245 N HA 0.476 5.216 4.740 0.001 0.000 0.209 245 N C 0.238 175.897 175.510 0.249 0.000 1.122 245 N CA 0.244 53.406 53.050 0.188 0.000 0.845 245 N CB 0.501 39.093 38.487 0.175 0.000 1.004 245 N HN 0.302 nan 8.380 nan 0.000 0.499 246 A N -0.886 122.093 122.820 0.264 0.000 2.350 246 A HA 0.726 5.046 4.320 0.001 0.000 0.318 246 A C 0.015 177.665 177.584 0.109 0.000 1.132 246 A CA -0.696 51.487 52.037 0.244 0.000 0.811 246 A CB 1.254 20.572 19.000 0.530 0.000 1.313 246 A HN 0.170 nan 8.150 nan 0.000 0.454 247 S N -0.912 114.743 115.700 -0.074 0.000 2.641 247 S HA 0.596 5.066 4.470 0.001 0.000 0.261 247 S C 0.760 175.403 174.600 0.071 0.000 1.257 247 S CA 0.252 58.464 58.200 0.020 0.000 0.983 247 S CB 0.596 63.719 63.200 -0.129 0.000 0.990 247 S HN 1.322 nan 8.310 nan 0.000 0.572 248 G N -0.233 108.573 108.800 0.011 0.000 2.795 248 G HA2 0.605 4.565 3.960 0.001 0.000 0.267 248 G HA3 0.605 4.565 3.960 0.001 0.000 0.267 248 G C -1.405 173.373 174.900 -0.204 0.000 1.362 248 G CA -0.833 44.154 45.100 -0.189 0.000 1.048 248 G HN 0.677 nan 8.290 nan 0.000 0.547 249 L N 0.652 121.691 121.223 -0.307 0.000 2.287 249 L HA 0.492 4.833 4.340 0.001 0.000 0.287 249 L C -0.571 176.185 176.870 -0.190 0.000 1.022 249 L CA -0.601 54.053 54.840 -0.309 0.000 0.814 249 L CB 1.512 43.150 42.059 -0.702 0.000 1.217 249 L HN 0.464 nan 8.230 nan 0.000 0.420 250 N N 0.947 119.583 118.700 -0.107 0.000 2.853 250 N HA 0.530 5.271 4.740 0.001 0.000 0.258 250 N C -1.836 173.684 175.510 0.016 0.000 1.444 250 N CA -0.936 52.083 53.050 -0.051 0.000 0.837 250 N CB 1.857 40.269 38.487 -0.126 0.000 1.489 250 N HN 0.400 nan 8.380 nan 0.000 0.529 251 D N -0.436 120.000 120.400 0.060 0.000 2.498 251 D HA 0.747 5.388 4.640 0.001 0.000 0.247 251 D C -0.130 176.247 176.300 0.128 0.000 1.070 251 D CA -0.266 53.795 54.000 0.102 0.000 0.842 251 D CB 1.889 42.814 40.800 0.208 0.000 1.361 251 D HN 0.672 nan 8.370 nan 0.000 0.484 252 G N -0.630 108.173 108.800 0.005 0.000 2.313 252 G HA2 0.620 4.581 3.960 0.001 0.000 0.296 252 G HA3 0.620 4.581 3.960 0.001 0.000 0.296 252 G C -1.925 172.906 174.900 -0.115 0.000 1.356 252 G CA -0.130 44.938 45.100 -0.053 0.000 0.833 252 G HN 0.654 nan 8.290 nan 0.000 0.552 253 A N -1.344 121.403 122.820 -0.122 0.000 2.583 253 A HA 1.203 5.523 4.320 0.001 0.000 0.289 253 A C -0.381 177.167 177.584 -0.059 0.000 1.151 253 A CA 0.111 52.086 52.037 -0.102 0.000 0.695 253 A CB 1.437 20.353 19.000 -0.139 0.000 1.290 253 A HN 2.720 nan 8.150 nan 0.000 0.419 254 A N -1.002 121.792 122.820 -0.043 0.000 2.583 254 A HA 0.895 5.216 4.320 0.001 0.000 0.298 254 A C -0.626 176.951 177.584 -0.013 0.000 1.055 254 A CA 0.347 52.377 52.037 -0.011 0.000 0.714 254 A CB 0.322 19.324 19.000 0.004 0.000 1.277 254 A HN 2.709 nan 8.150 nan 0.000 0.406 255 A N 0.166 122.991 122.820 0.008 0.000 2.588 255 A HA 1.108 5.428 4.320 0.001 0.000 0.290 255 A C -0.572 177.021 177.584 0.015 0.000 1.136 255 A CA -0.105 51.929 52.037 -0.005 0.000 0.681 255 A CB 1.048 20.035 19.000 -0.021 0.000 1.282 255 A HN 2.712 nan 8.150 nan 0.000 0.421 256 A N -0.010 122.805 122.820 -0.008 0.000 2.459 256 A HA 0.653 4.974 4.320 0.001 0.000 0.296 256 A C -1.278 176.296 177.584 -0.017 0.000 1.039 256 A CA -0.277 51.757 52.037 -0.005 0.000 0.698 256 A CB 0.984 19.975 19.000 -0.016 0.000 1.261 256 A HN 1.611 nan 8.150 nan 0.000 0.405 257 L N 2.932 124.150 121.223 -0.007 0.000 2.312 257 L HA 0.707 5.047 4.340 0.001 0.000 0.281 257 L C -1.135 175.728 176.870 -0.013 0.000 1.070 257 L CA -0.531 54.302 54.840 -0.011 0.000 0.805 257 L CB 0.739 42.797 42.059 -0.000 0.000 1.174 257 L HN 0.671 nan 8.230 nan 0.000 0.434 258 L N 6.504 127.718 121.223 -0.015 0.000 2.365 258 L HA 0.662 5.002 4.340 0.001 0.000 0.273 258 L C -0.282 176.586 176.870 -0.004 0.000 1.000 258 L CA -0.561 54.272 54.840 -0.011 0.000 0.819 258 L CB 1.802 43.851 42.059 -0.017 0.000 1.284 258 L HN 0.721 nan 8.230 nan 0.000 0.418 259 M N 0.369 119.969 119.600 0.000 0.000 2.721 259 M HA 0.544 5.025 4.480 0.001 0.000 0.271 259 M C -0.469 175.836 176.300 0.008 0.000 1.259 259 M CA -0.750 54.553 55.300 0.005 0.000 0.835 259 M CB 2.154 34.757 32.600 0.005 0.000 1.689 259 M HN 0.464 nan 8.290 nan 0.000 0.470 260 S N -0.417 115.289 115.700 0.011 0.000 2.579 260 S HA 0.089 4.560 4.470 0.001 0.000 0.275 260 S C 0.689 175.297 174.600 0.012 0.000 1.345 260 S CA 0.386 58.594 58.200 0.013 0.000 1.031 260 S CB 1.121 64.330 63.200 0.014 0.000 0.892 260 S HN 0.980 nan 8.310 nan 0.000 0.529 261 E N 1.734 121.942 120.200 0.014 0.000 2.153 261 E HA -0.152 4.198 4.350 0.001 0.000 0.194 261 E C 1.982 178.590 176.600 0.013 0.000 0.988 261 E CA 1.146 57.554 56.400 0.014 0.000 0.811 261 E CB -0.527 29.184 29.700 0.018 0.000 0.746 261 E HN 0.858 nan 8.360 nan 0.000 0.466 262 A N 0.952 123.779 122.820 0.013 0.000 1.929 262 A HA -0.179 4.141 4.320 0.001 0.000 0.216 262 A C 2.021 179.611 177.584 0.010 0.000 1.176 262 A CA 1.425 53.469 52.037 0.012 0.000 0.628 262 A CB -0.453 18.554 19.000 0.012 0.000 0.816 262 A HN 0.399 nan 8.150 nan 0.000 0.444 263 E N -0.039 120.168 120.200 0.010 0.000 2.110 263 E HA -0.099 4.252 4.350 0.001 0.000 0.193 263 E C 2.054 178.659 176.600 0.008 0.000 0.988 263 E CA 0.989 57.395 56.400 0.009 0.000 0.804 263 E CB -0.238 29.468 29.700 0.009 0.000 0.745 263 E HN 0.540 nan 8.360 nan 0.000 0.458 264 A N 0.232 123.057 122.820 0.008 0.000 1.933 264 A HA -0.176 4.145 4.320 0.001 0.000 0.218 264 A C 2.313 179.901 177.584 0.008 0.000 1.175 264 A CA 1.761 53.802 52.037 0.007 0.000 0.628 264 A CB -0.754 18.249 19.000 0.006 0.000 0.814 264 A HN 0.313 nan 8.150 nan 0.000 0.444 265 S N -0.936 114.769 115.700 0.008 0.000 2.402 265 S HA -0.140 4.331 4.470 0.001 0.000 0.229 265 S C 2.138 176.743 174.600 0.008 0.000 1.021 265 S CA 1.177 59.382 58.200 0.008 0.000 0.974 265 S CB -0.340 62.865 63.200 0.009 0.000 0.800 265 S HN 0.601 nan 8.310 nan 0.000 0.484 266 R N 0.335 120.840 120.500 0.008 0.000 2.096 266 R HA -0.042 4.299 4.340 0.001 0.000 0.240 266 R C 2.193 178.498 176.300 0.008 0.000 1.139 266 R CA 1.848 57.952 56.100 0.008 0.000 0.952 266 R CB -0.179 30.126 30.300 0.008 0.000 0.854 266 R HN 0.384 nan 8.270 nan 0.000 0.436 267 R N -1.138 119.367 120.500 0.008 0.000 2.334 267 R HA 0.162 4.503 4.340 0.001 0.000 0.216 267 R C 0.853 177.158 176.300 0.008 0.000 0.905 267 R CA 0.504 56.609 56.100 0.008 0.000 1.064 267 R CB 0.844 31.149 30.300 0.008 0.000 1.046 267 R HN 0.360 nan 8.270 nan 0.000 0.508 268 G N 1.726 110.531 108.800 0.008 0.000 2.160 268 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 268 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 268 G C 0.044 174.950 174.900 0.009 0.000 1.022 268 G CA -0.187 44.918 45.100 0.008 0.000 0.741 268 G HN 0.232 nan 8.290 nan 0.000 0.508 269 I N 0.413 120.988 120.570 0.008 0.000 2.428 269 I HA 0.288 4.458 4.170 0.001 0.000 0.289 269 I C 0.180 176.299 176.117 0.005 0.000 1.019 269 I CA -0.538 60.767 61.300 0.008 0.000 1.351 269 I CB 1.291 39.295 38.000 0.007 0.000 1.412 269 I HN -0.039 nan 8.210 nan 0.000 0.513 270 Q N 6.839 126.641 119.800 0.003 0.000 2.509 270 Q HA 0.377 4.717 4.340 0.001 0.000 0.236 270 Q C -2.315 173.677 176.000 -0.014 0.000 1.073 270 Q CA -1.920 53.882 55.803 -0.002 0.000 0.867 270 Q CB 0.717 29.456 28.738 0.002 0.000 1.181 270 Q HN 0.308 nan 8.270 nan 0.000 0.526 271 P HA 0.047 nan 4.420 nan 0.000 0.269 271 P C 0.475 177.740 177.300 -0.058 0.000 1.215 271 P CA -0.438 62.644 63.100 -0.032 0.000 0.780 271 P CB 0.843 32.533 31.700 -0.017 0.000 0.898 272 L N 0.675 121.838 121.223 -0.099 0.000 2.554 272 L HA 0.329 4.670 4.340 0.001 0.000 0.226 272 L C 1.233 178.041 176.870 -0.103 0.000 1.137 272 L CA 1.000 55.743 54.840 -0.162 0.000 0.863 272 L CB -1.187 40.693 42.059 -0.299 0.000 0.985 272 L HN 0.705 nan 8.230 nan 0.000 0.451 273 G N -1.235 107.533 108.800 -0.053 0.000 2.325 273 G HA2 0.219 4.179 3.960 0.001 0.000 0.297 273 G HA3 0.219 4.179 3.960 0.001 0.000 0.297 273 G C -1.352 173.555 174.900 0.012 0.000 1.448 273 G CA -1.020 44.075 45.100 -0.009 0.000 0.838 273 G HN -0.077 nan 8.290 nan 0.000 0.579 274 R N 0.093 120.617 120.500 0.039 0.000 2.357 274 R HA 0.564 4.904 4.340 0.001 0.000 0.296 274 R C -0.130 176.203 176.300 0.055 0.000 1.052 274 R CA -0.686 55.441 56.100 0.045 0.000 0.988 274 R CB 0.499 30.833 30.300 0.057 0.000 1.025 274 R HN 0.383 nan 8.270 nan 0.000 0.469 275 I N 6.719 127.314 120.570 0.042 0.000 2.329 275 I HA -0.009 4.161 4.170 0.001 0.000 0.295 275 I C 1.504 177.642 176.117 0.034 0.000 1.109 275 I CA -0.308 61.019 61.300 0.045 0.000 1.297 275 I CB 1.319 39.346 38.000 0.044 0.000 1.433 275 I HN 0.630 nan 8.210 nan 0.000 0.509 276 V N 2.658 122.570 119.914 -0.004 0.000 2.599 276 V HA 0.138 4.258 4.120 0.001 0.000 0.245 276 V C 0.786 176.804 176.094 -0.126 0.000 1.046 276 V CA 1.113 63.365 62.300 -0.079 0.000 1.065 276 V CB -0.184 31.540 31.823 -0.165 0.000 0.703 276 V HN 0.744 nan 8.190 nan 0.000 0.464 277 S N -0.875 114.756 115.700 -0.115 0.000 2.611 277 S HA 0.677 5.148 4.470 0.001 0.000 0.268 277 S C -1.381 173.263 174.600 0.073 0.000 1.156 277 S CA -0.291 57.856 58.200 -0.087 0.000 0.817 277 S CB 1.766 64.806 63.200 -0.266 0.000 1.122 277 S HN 1.359 nan 8.310 nan 0.000 0.466 278 W N -0.001 121.256 121.300 -0.073 0.000 3.066 278 W HA 0.814 5.474 4.660 0.001 0.000 0.330 278 W C -1.923 174.584 176.519 -0.019 0.000 1.253 278 W CA -0.815 56.510 57.345 -0.033 0.000 1.187 278 W CB 0.968 30.420 29.460 -0.013 0.000 1.434 278 W HN 1.524 nan 8.180 nan 0.000 0.572 279 A N 1.377 124.157 122.820 -0.068 0.000 2.594 279 A HA 0.619 4.939 4.320 0.001 0.000 0.296 279 A C -1.681 175.952 177.584 0.081 0.000 1.056 279 A CA -0.339 51.455 52.037 -0.406 0.000 0.693 279 A CB 1.575 20.383 19.000 -0.319 0.000 1.278 279 A HN 0.800 nan 8.150 nan 0.000 0.408 280 T N 0.651 115.246 114.554 0.069 0.000 2.886 280 T HA 0.700 5.051 4.350 0.001 0.000 0.292 280 T C -1.237 173.509 174.700 0.077 0.000 1.012 280 T CA -0.273 61.939 62.100 0.187 0.000 0.982 280 T CB 1.023 70.098 68.868 0.346 0.000 1.018 280 T HN 1.327 nan 8.240 nan 0.000 0.451 281 V N 2.555 122.513 119.914 0.073 0.000 3.114 281 V HA 0.862 4.983 4.120 0.001 0.000 0.308 281 V C 0.599 176.727 176.094 0.057 0.000 1.168 281 V CA -1.018 61.308 62.300 0.044 0.000 1.015 281 V CB 2.268 34.103 31.823 0.020 0.000 1.050 281 V HN 1.072 nan 8.190 nan 0.000 0.433 282 G N 0.546 109.372 108.800 0.043 0.000 2.388 282 G HA2 0.734 4.694 3.960 0.001 0.000 0.330 282 G HA3 0.734 4.694 3.960 0.001 0.000 0.330 282 G C -0.592 174.328 174.900 0.034 0.000 1.142 282 G CA -0.280 44.846 45.100 0.043 0.000 0.908 282 G HN 1.094 nan 8.290 nan 0.000 0.473 283 V N -1.004 118.935 119.914 0.042 0.000 3.139 283 V HA 0.660 4.781 4.120 0.001 0.000 0.310 283 V C -0.430 175.683 176.094 0.032 0.000 1.260 283 V CA -1.236 61.086 62.300 0.037 0.000 1.064 283 V CB 1.642 33.496 31.823 0.051 0.000 1.160 283 V HN 0.523 nan 8.190 nan 0.000 0.470 284 D N 1.091 121.511 120.400 0.033 0.000 2.383 284 D HA 0.325 4.966 4.640 0.001 0.000 0.252 284 D C -1.716 174.628 176.300 0.075 0.000 1.166 284 D CA -1.744 52.280 54.000 0.039 0.000 0.879 284 D CB 1.718 42.537 40.800 0.031 0.000 1.164 284 D HN 0.329 nan 8.370 nan 0.000 0.462 285 P HA -0.156 nan 4.420 nan 0.000 0.217 285 P C 0.937 178.342 177.300 0.174 0.000 1.148 285 P CA 1.379 64.602 63.100 0.205 0.000 0.828 285 P CB 0.202 32.117 31.700 0.359 0.000 0.783 286 K N -0.440 119.999 120.400 0.066 0.000 2.211 286 K HA -0.060 4.260 4.320 0.001 0.000 0.204 286 K C 0.965 177.563 176.600 -0.003 0.000 1.047 286 K CA 1.488 57.734 56.287 -0.069 0.000 0.935 286 K CB -0.328 32.014 32.500 -0.263 0.000 0.728 286 K HN 0.191 nan 8.250 nan 0.000 0.452 287 V N -0.938 118.990 119.914 0.024 0.000 2.666 287 V HA 0.140 4.261 4.120 0.001 0.000 0.306 287 V C 0.803 176.935 176.094 0.063 0.000 1.156 287 V CA -0.602 61.718 62.300 0.035 0.000 1.274 287 V CB 0.155 32.004 31.823 0.043 0.000 1.536 287 V HN 0.115 nan 8.190 nan 0.000 0.640 288 M N 0.477 120.124 119.600 0.079 0.000 2.346 288 M HA 0.199 4.679 4.480 0.001 0.000 0.263 288 M C 1.728 178.084 176.300 0.094 0.000 1.064 288 M CA 2.398 57.757 55.300 0.098 0.000 1.083 288 M CB -1.309 31.365 32.600 0.123 0.000 1.399 288 M HN 0.321 nan 8.290 nan 0.000 0.435 289 G N 0.269 109.119 108.800 0.083 0.000 2.471 289 G HA2 -0.147 3.814 3.960 0.001 0.000 0.219 289 G HA3 -0.147 3.814 3.960 0.001 0.000 0.219 289 G C 1.586 176.517 174.900 0.052 0.000 1.125 289 G CA 1.133 46.280 45.100 0.079 0.000 0.775 289 G HN 0.691 nan 8.290 nan 0.000 0.548 290 T N -1.678 112.915 114.554 0.065 0.000 3.085 290 T HA 0.173 4.524 4.350 0.001 0.000 0.263 290 T C 2.373 177.111 174.700 0.065 0.000 1.127 290 T CA 1.097 63.239 62.100 0.070 0.000 1.103 290 T CB -0.141 68.800 68.868 0.122 0.000 0.921 290 T HN 0.198 nan 8.240 nan 0.000 0.510 291 G N 3.069 111.913 108.800 0.072 0.000 2.679 291 G HA2 -0.242 3.719 3.960 0.001 0.000 0.222 291 G HA3 -0.242 3.719 3.960 0.001 0.000 0.222 291 G C -0.526 174.419 174.900 0.075 0.000 1.164 291 G CA 1.157 46.303 45.100 0.076 0.000 0.769 291 G HN 0.489 nan 8.290 nan 0.000 0.610 292 P HA 0.003 nan 4.420 nan 0.000 0.221 292 P C 1.786 179.130 177.300 0.073 0.000 1.145 292 P CA 0.615 63.777 63.100 0.103 0.000 0.795 292 P CB -0.027 31.749 31.700 0.127 0.000 0.775 293 I N 0.700 121.286 120.570 0.027 0.000 2.110 293 I HA -0.112 4.059 4.170 0.001 0.000 0.236 293 I C -0.373 175.742 176.117 -0.003 0.000 1.068 293 I CA 1.669 62.957 61.300 -0.021 0.000 1.333 293 I CB -2.043 35.951 38.000 -0.011 0.000 1.054 293 I HN 0.015 nan 8.210 nan 0.000 0.402 294 P HA -0.168 nan 4.420 nan 0.000 0.217 294 P C 1.400 178.711 177.300 0.018 0.000 1.150 294 P CA 2.016 65.124 63.100 0.013 0.000 0.832 294 P CB -0.045 31.666 31.700 0.019 0.000 0.787 295 A N 0.132 122.977 122.820 0.042 0.000 1.877 295 A HA -0.133 4.187 4.320 0.001 0.000 0.216 295 A C 2.515 180.140 177.584 0.068 0.000 1.186 295 A CA 2.161 54.232 52.037 0.057 0.000 0.620 295 A CB -1.510 17.546 19.000 0.094 0.000 0.822 295 A HN 0.171 nan 8.150 nan 0.000 0.443 296 S N -0.762 114.998 115.700 0.100 0.000 2.406 296 S HA -0.084 4.386 4.470 0.001 0.000 0.228 296 S C 2.057 176.717 174.600 0.100 0.000 1.020 296 S CA 1.061 59.355 58.200 0.156 0.000 0.965 296 S CB -0.244 63.115 63.200 0.266 0.000 0.798 296 S HN 0.573 nan 8.310 nan 0.000 0.488 297 R N 1.001 121.524 120.500 0.037 0.000 2.075 297 R HA 0.046 4.387 4.340 0.001 0.000 0.232 297 R C 2.285 178.586 176.300 0.001 0.000 1.126 297 R CA 0.820 56.929 56.100 0.015 0.000 0.963 297 R CB -0.158 30.135 30.300 -0.011 0.000 0.858 297 R HN 0.067 nan 8.270 nan 0.000 0.435 298 K N 1.088 121.476 120.400 -0.021 0.000 2.057 298 K HA -0.000 4.320 4.320 0.001 0.000 0.206 298 K C 1.931 178.473 176.600 -0.096 0.000 1.050 298 K CA 1.555 57.803 56.287 -0.066 0.000 0.935 298 K CB -0.394 32.050 32.500 -0.093 0.000 0.715 298 K HN 0.123 nan 8.250 nan 0.000 0.439 299 A N 1.283 124.059 122.820 -0.073 0.000 1.892 299 A HA -0.170 4.151 4.320 0.001 0.000 0.218 299 A C 2.424 179.939 177.584 -0.115 0.000 1.188 299 A CA 1.697 53.676 52.037 -0.096 0.000 0.631 299 A CB -0.739 18.257 19.000 -0.007 0.000 0.822 299 A HN 0.301 nan 8.150 nan 0.000 0.447 300 L N -0.935 120.277 121.223 -0.018 0.000 2.046 300 L HA -0.199 4.141 4.340 0.001 0.000 0.208 300 L C 2.657 179.509 176.870 -0.029 0.000 1.077 300 L CA 1.788 56.645 54.840 0.028 0.000 0.747 300 L CB -0.487 41.670 42.059 0.164 0.000 0.896 300 L HN 0.627 nan 8.230 nan 0.000 0.432 301 E N 0.407 120.587 120.200 -0.034 0.000 2.153 301 E HA -0.238 4.112 4.350 0.001 0.000 0.194 301 E C 2.320 178.863 176.600 -0.095 0.000 0.988 301 E CA 1.043 57.417 56.400 -0.044 0.000 0.811 301 E CB 0.116 29.791 29.700 -0.042 0.000 0.746 301 E HN 0.366 nan 8.360 nan 0.000 0.466 302 R N -0.469 119.940 120.500 -0.152 0.000 2.115 302 R HA 0.023 4.363 4.340 0.001 0.000 0.226 302 R C 2.148 178.304 176.300 -0.241 0.000 1.100 302 R CA 0.900 56.887 56.100 -0.188 0.000 0.980 302 R CB -0.013 30.148 30.300 -0.233 0.000 0.875 302 R HN 0.137 nan 8.270 nan 0.000 0.445 303 A N -0.118 122.476 122.820 -0.377 0.000 2.169 303 A HA 0.148 4.468 4.320 0.001 0.000 0.212 303 A C 1.415 178.760 177.584 -0.397 0.000 1.153 303 A CA 0.848 52.483 52.037 -0.669 0.000 0.756 303 A CB -0.144 17.912 19.000 -1.573 0.000 0.813 303 A HN 0.426 nan 8.150 nan 0.000 0.471 304 G N -2.540 106.176 108.800 -0.139 0.000 2.160 304 G HA2 -0.243 3.717 3.960 0.001 0.000 0.251 304 G HA3 -0.243 3.717 3.960 0.001 0.000 0.251 304 G C -0.252 174.809 174.900 0.267 0.000 1.008 304 G CA 0.372 45.505 45.100 0.054 0.000 0.724 304 G HN 0.369 nan 8.290 nan 0.000 0.514 305 W N 0.498 121.811 121.300 0.021 0.000 2.448 305 W HA 0.692 5.353 4.660 0.001 0.000 0.339 305 W C 0.701 177.240 176.519 0.033 0.000 1.124 305 W CA -1.588 55.776 57.345 0.030 0.000 1.262 305 W CB 0.806 30.290 29.460 0.041 0.000 1.251 305 W HN 0.019 nan 8.180 nan 0.000 0.597 306 K N 1.996 122.544 120.400 0.247 0.000 2.087 306 K HA 0.347 4.668 4.320 0.001 0.000 0.255 306 K C 1.197 177.899 176.600 0.169 0.000 0.988 306 K CA -0.782 55.600 56.287 0.158 0.000 0.915 306 K CB 1.626 34.181 32.500 0.093 0.000 1.043 306 K HN 0.302 nan 8.250 nan 0.000 0.457 307 I N 1.052 121.713 120.570 0.151 0.000 2.264 307 I HA -0.211 3.960 4.170 0.001 0.000 0.248 307 I C 1.883 178.094 176.117 0.158 0.000 1.111 307 I CA 1.532 62.947 61.300 0.191 0.000 1.382 307 I CB -0.284 37.801 38.000 0.142 0.000 1.060 307 I HN 0.881 nan 8.210 nan 0.000 0.418 308 G N -0.349 108.508 108.800 0.096 0.000 2.956 308 G HA2 -0.102 3.859 3.960 0.001 0.000 0.207 308 G HA3 -0.102 3.859 3.960 0.001 0.000 0.207 308 G C 0.929 175.834 174.900 0.009 0.000 1.162 308 G CA 0.148 45.283 45.100 0.059 0.000 0.796 308 G HN 0.308 nan 8.290 nan 0.000 0.527 309 D N 0.183 120.571 120.400 -0.019 0.000 2.327 309 D HA 0.066 4.707 4.640 0.001 0.000 0.205 309 D C 1.473 177.663 176.300 -0.184 0.000 0.989 309 D CA -0.151 53.770 54.000 -0.131 0.000 0.873 309 D CB 0.432 41.091 40.800 -0.235 0.000 0.955 309 D HN 0.241 nan 8.370 nan 0.000 0.515 310 L N 1.434 122.602 121.223 -0.093 0.000 2.503 310 L HA -0.057 4.283 4.340 0.001 0.000 0.287 310 L C 1.282 178.100 176.870 -0.086 0.000 1.252 310 L CA 0.518 55.307 54.840 -0.086 0.000 0.835 310 L CB 0.567 42.649 42.059 0.040 0.000 1.099 310 L HN -0.112 nan 8.230 nan 0.000 0.516 311 D N 0.646 120.987 120.400 -0.099 0.000 2.469 311 D HA 0.240 4.881 4.640 0.001 0.000 0.240 311 D C -0.356 175.900 176.300 -0.074 0.000 1.087 311 D CA 0.359 54.312 54.000 -0.078 0.000 0.876 311 D CB 1.208 41.959 40.800 -0.083 0.000 1.160 311 D HN 0.108 nan 8.370 nan 0.000 0.497 312 L N 0.743 121.915 121.223 -0.085 0.000 2.466 312 L HA 0.423 4.764 4.340 0.001 0.000 0.258 312 L C -1.701 175.075 176.870 -0.157 0.000 0.973 312 L CA -0.769 54.010 54.840 -0.103 0.000 0.826 312 L CB 2.557 44.576 42.059 -0.066 0.000 1.372 312 L HN -0.326 nan 8.230 nan 0.000 0.409 313 V N 2.548 122.322 119.914 -0.234 0.000 2.760 313 V HA 0.593 4.714 4.120 0.001 0.000 0.309 313 V C -1.040 174.911 176.094 -0.240 0.000 1.077 313 V CA -0.696 61.391 62.300 -0.356 0.000 0.910 313 V CB 2.025 33.351 31.823 -0.828 0.000 1.008 313 V HN 0.627 nan 8.190 nan 0.000 0.424 314 E N 3.054 123.156 120.200 -0.162 0.000 2.102 314 E HA 0.641 4.991 4.350 0.001 0.000 0.263 314 E C -0.467 176.096 176.600 -0.061 0.000 0.894 314 E CA -0.260 56.094 56.400 -0.077 0.000 0.746 314 E CB 1.921 31.614 29.700 -0.010 0.000 1.129 314 E HN 0.814 nan 8.360 nan 0.000 0.416 315 A N 4.207 127.002 122.820 -0.041 0.000 2.277 315 A HA 0.307 4.628 4.320 0.001 0.000 0.318 315 A C 0.161 177.792 177.584 0.078 0.000 1.339 315 A CA -0.770 51.302 52.037 0.058 0.000 0.875 315 A CB 0.176 19.265 19.000 0.148 0.000 1.158 315 A HN 0.428 nan 8.150 nan 0.000 0.514 316 N N 1.913 120.650 118.700 0.062 0.000 2.412 316 N HA 0.009 4.750 4.740 0.001 0.000 0.258 316 N C -0.116 175.393 175.510 -0.002 0.000 1.236 316 N CA 0.648 53.712 53.050 0.023 0.000 0.882 316 N CB 0.429 38.923 38.487 0.012 0.000 1.066 316 N HN 0.625 nan 8.380 nan 0.000 0.465 317 E N 2.660 122.845 120.200 -0.025 0.000 2.127 317 E HA 0.197 4.547 4.350 0.001 0.000 0.262 317 E C 0.386 176.861 176.600 -0.208 0.000 1.144 317 E CA -0.440 55.961 56.400 0.002 0.000 1.144 317 E CB 0.243 30.023 29.700 0.134 0.000 1.297 317 E HN 0.658 nan 8.360 nan 0.000 0.469 318 A N 2.387 125.012 122.820 -0.324 0.000 1.902 318 A HA -0.047 4.274 4.320 0.001 0.000 0.217 318 A C 0.356 177.364 177.584 -0.961 0.000 1.181 318 A CA 1.157 52.787 52.037 -0.679 0.000 0.623 318 A CB 0.050 18.783 19.000 -0.446 0.000 0.818 318 A HN 0.392 nan 8.150 nan 0.000 0.443 319 F N -4.120 115.815 119.950 -0.025 0.000 2.608 319 F HA 0.574 5.102 4.527 0.001 0.000 0.309 319 F C 0.930 176.707 175.800 -0.039 0.000 1.103 319 F CA -0.491 57.512 58.000 0.006 0.000 0.954 319 F CB 1.543 40.534 39.000 -0.016 0.000 1.267 319 F HN 0.017 nan 8.300 nan 0.000 0.444 320 A N 1.539 124.465 122.820 0.177 0.000 2.070 320 A HA 0.055 4.375 4.320 0.001 0.000 0.220 320 A C 2.132 179.588 177.584 -0.213 0.000 1.159 320 A CA 1.969 53.982 52.037 -0.040 0.000 0.656 320 A CB -0.859 18.268 19.000 0.212 0.000 0.800 320 A HN 0.905 nan 8.150 nan 0.000 0.453 321 A N 0.458 123.258 122.820 -0.033 0.000 1.845 321 A HA -0.193 4.127 4.320 0.001 0.000 0.215 321 A C 2.158 179.649 177.584 -0.155 0.000 1.195 321 A CA 2.044 54.033 52.037 -0.080 0.000 0.616 321 A CB -0.657 18.322 19.000 -0.036 0.000 0.832 321 A HN 0.685 nan 8.150 nan 0.000 0.443 322 Q N -0.250 119.505 119.800 -0.074 0.000 2.172 322 Q HA 0.275 4.616 4.340 0.001 0.000 0.200 322 Q C 1.814 177.702 176.000 -0.187 0.000 0.964 322 Q CA 1.839 57.580 55.803 -0.103 0.000 0.855 322 Q CB -0.852 27.906 28.738 0.034 0.000 0.918 322 Q HN 0.461 nan 8.270 nan 0.000 0.444 323 A N 0.665 123.350 122.820 -0.224 0.000 1.877 323 A HA -0.155 4.166 4.320 0.001 0.000 0.216 323 A C 2.351 179.671 177.584 -0.441 0.000 1.186 323 A CA 1.371 53.239 52.037 -0.283 0.000 0.620 323 A CB -1.232 17.574 19.000 -0.324 0.000 0.822 323 A HN 0.602 nan 8.150 nan 0.000 0.443 324 C N -1.009 117.876 119.300 -0.691 0.000 2.413 324 C HA 0.013 4.474 4.460 0.001 0.000 0.277 324 C C 3.284 178.015 174.990 -0.431 0.000 1.265 324 C CA 0.873 59.576 59.018 -0.525 0.000 1.752 324 C CB -1.383 26.087 27.740 -0.450 0.000 1.998 324 C HN 0.689 nan 8.230 nan 0.000 0.489 325 A N 0.015 122.506 122.820 -0.548 0.000 1.840 325 A HA -0.052 4.268 4.320 0.001 0.000 0.214 325 A C 2.288 179.343 177.584 -0.882 0.000 1.198 325 A CA 1.850 53.289 52.037 -0.996 0.000 0.608 325 A CB -0.933 17.384 19.000 -1.139 0.000 0.839 325 A HN 0.296 nan 8.150 nan 0.000 0.443 326 V N 1.364 120.984 119.914 -0.491 0.000 2.277 326 V HA -0.360 3.760 4.120 0.001 0.000 0.253 326 V C 2.352 178.273 176.094 -0.289 0.000 1.067 326 V CA 2.478 64.604 62.300 -0.290 0.000 1.047 326 V CB -1.088 30.693 31.823 -0.070 0.000 0.649 326 V HN 0.578 nan 8.190 nan 0.000 0.447 327 N N -0.319 118.282 118.700 -0.166 0.000 2.166 327 N HA -0.159 4.582 4.740 0.001 0.000 0.186 327 N C 1.811 177.216 175.510 -0.175 0.000 1.019 327 N CA 1.364 54.390 53.050 -0.040 0.000 0.856 327 N CB -0.335 38.223 38.487 0.118 0.000 0.993 327 N HN 0.506 nan 8.380 nan 0.000 0.426 328 K N 0.668 120.909 120.400 -0.264 0.000 2.057 328 K HA -0.100 4.221 4.320 0.001 0.000 0.207 328 K C 1.650 178.159 176.600 -0.151 0.000 1.049 328 K CA 1.268 57.438 56.287 -0.196 0.000 0.931 328 K CB -0.024 32.324 32.500 -0.253 0.000 0.714 328 K HN 0.154 nan 8.250 nan 0.000 0.440 329 D N 0.194 120.439 120.400 -0.259 0.000 2.103 329 D HA -0.125 4.516 4.640 0.001 0.000 0.199 329 D C 1.882 178.083 176.300 -0.166 0.000 0.978 329 D CA 1.003 54.968 54.000 -0.058 0.000 0.829 329 D CB 0.176 40.981 40.800 0.007 0.000 0.981 329 D HN 0.196 nan 8.370 nan 0.000 0.464 330 L N -0.163 120.827 121.223 -0.389 0.000 2.156 330 L HA 0.070 4.410 4.340 0.001 0.000 0.208 330 L C 2.004 178.609 176.870 -0.443 0.000 1.095 330 L CA 0.885 55.385 54.840 -0.567 0.000 0.770 330 L CB -0.388 40.934 42.059 -1.228 0.000 0.914 330 L HN 0.288 nan 8.230 nan 0.000 0.439 331 G N -0.444 108.141 108.800 -0.358 0.000 2.162 331 G HA2 -0.269 3.691 3.960 0.001 0.000 0.260 331 G HA3 -0.269 3.691 3.960 0.001 0.000 0.260 331 G C -0.025 174.882 174.900 0.011 0.000 0.976 331 G CA 0.208 45.234 45.100 -0.123 0.000 0.655 331 G HN 0.389 nan 8.290 nan 0.000 0.533 332 W N 0.787 122.100 121.300 0.022 0.000 2.148 332 W HA 0.556 5.216 4.660 0.001 0.000 0.347 332 W C 0.141 176.673 176.519 0.022 0.000 1.288 332 W CA -2.022 55.337 57.345 0.024 0.000 1.252 332 W CB 0.217 29.695 29.460 0.030 0.000 1.156 332 W HN 0.101 nan 8.180 nan 0.000 0.580 333 D N 4.161 124.730 120.400 0.282 0.000 2.451 333 D HA -0.034 4.606 4.640 0.001 0.000 0.254 333 D C -0.887 175.503 176.300 0.150 0.000 1.204 333 D CA -1.293 52.805 54.000 0.162 0.000 0.896 333 D CB 1.108 41.962 40.800 0.091 0.000 1.136 333 D HN 0.184 nan 8.370 nan 0.000 0.499 334 P HA -0.124 nan 4.420 nan 0.000 0.225 334 P C 1.011 178.342 177.300 0.052 0.000 1.148 334 P CA 0.673 63.850 63.100 0.127 0.000 0.779 334 P CB 0.063 31.845 31.700 0.137 0.000 0.780 335 S N -0.136 115.583 115.700 0.033 0.000 2.522 335 S HA -0.041 4.429 4.470 0.001 0.000 0.227 335 S C 1.795 176.382 174.600 -0.023 0.000 0.986 335 S CA 0.394 58.595 58.200 0.002 0.000 0.929 335 S CB -1.329 61.873 63.200 0.004 0.000 0.769 335 S HN 0.368 nan 8.310 nan 0.000 0.529 336 I N -1.308 119.242 120.570 -0.034 0.000 3.956 336 I HA 0.410 4.580 4.170 0.001 0.000 0.333 336 I C -0.481 175.556 176.117 -0.133 0.000 1.302 336 I CA -0.460 60.795 61.300 -0.075 0.000 1.122 336 I CB 0.428 38.384 38.000 -0.073 0.000 1.013 336 I HN -0.034 nan 8.210 nan 0.000 0.405 337 V N 2.868 122.706 119.914 -0.126 0.000 2.481 337 V HA 0.316 4.437 4.120 0.001 0.000 0.286 337 V C 0.212 176.260 176.094 -0.075 0.000 1.042 337 V CA -0.615 61.589 62.300 -0.159 0.000 0.928 337 V CB 0.799 32.538 31.823 -0.138 0.000 0.986 337 V HN 0.503 nan 8.190 nan 0.000 0.462 338 N N 2.238 120.899 118.700 -0.066 0.000 2.707 338 N HA -0.160 4.580 4.740 0.001 0.000 0.253 338 N C 0.973 176.463 175.510 -0.033 0.000 0.998 338 N CA 0.823 53.855 53.050 -0.029 0.000 0.751 338 N CB -1.086 37.389 38.487 -0.020 0.000 0.920 338 N HN 0.512 nan 8.380 nan 0.000 0.539 339 V N -0.211 119.681 119.914 -0.037 0.000 2.370 339 V HA -0.259 3.861 4.120 0.001 0.000 0.252 339 V C 1.428 177.497 176.094 -0.042 0.000 1.068 339 V CA 1.975 64.249 62.300 -0.044 0.000 1.061 339 V CB -0.124 31.672 31.823 -0.046 0.000 0.656 339 V HN 0.539 nan 8.190 nan 0.000 0.455 340 N N 0.140 118.839 118.700 -0.003 0.000 2.376 340 N HA 0.337 5.077 4.740 0.001 0.000 0.249 340 N C 0.646 176.241 175.510 0.142 0.000 1.140 340 N CA 0.852 53.913 53.050 0.020 0.000 0.870 340 N CB 0.545 39.044 38.487 0.021 0.000 1.124 340 N HN 0.525 nan 8.380 nan 0.000 0.505 341 G N -0.688 108.135 108.800 0.039 0.000 2.888 341 G HA2 -0.034 3.927 3.960 0.001 0.000 0.441 341 G HA3 -0.034 3.927 3.960 0.001 0.000 0.441 341 G C 0.057 174.979 174.900 0.036 0.000 1.461 341 G CA -0.434 44.673 45.100 0.011 0.000 0.897 341 G HN 0.523 nan 8.290 nan 0.000 0.547 342 G N -2.135 106.662 108.800 -0.005 0.000 3.251 342 G HA2 0.821 4.781 3.960 0.001 0.000 0.248 342 G HA3 0.821 4.781 3.960 0.001 0.000 0.248 342 G C 1.218 176.131 174.900 0.022 0.000 1.320 342 G CA 0.980 46.090 45.100 0.017 0.000 0.982 342 G HN 1.961 nan 8.290 nan 0.000 0.575 343 A N -0.699 122.133 122.820 0.020 0.000 1.972 343 A HA 0.027 4.347 4.320 0.001 0.000 0.219 343 A C 2.324 179.954 177.584 0.076 0.000 1.169 343 A CA 1.441 53.492 52.037 0.023 0.000 0.635 343 A CB -0.623 18.326 19.000 -0.084 0.000 0.810 343 A HN 0.505 nan 8.150 nan 0.000 0.446 344 I N -0.529 120.077 120.570 0.061 0.000 2.315 344 I HA -0.334 3.837 4.170 0.001 0.000 0.251 344 I C 2.724 178.901 176.117 0.101 0.000 1.125 344 I CA 1.268 62.628 61.300 0.100 0.000 1.392 344 I CB -0.140 37.915 38.000 0.092 0.000 1.065 344 I HN 0.400 nan 8.210 nan 0.000 0.424 345 A N 0.041 122.885 122.820 0.040 0.000 1.942 345 A HA 0.142 4.463 4.320 0.001 0.000 0.209 345 A C 2.147 179.767 177.584 0.059 0.000 1.214 345 A CA 0.494 52.508 52.037 -0.038 0.000 0.686 345 A CB -0.274 18.698 19.000 -0.048 0.000 0.871 345 A HN 0.286 nan 8.150 nan 0.000 0.460 346 I N -1.161 119.475 120.570 0.110 0.000 2.585 346 I HA 0.295 4.465 4.170 0.001 0.000 0.254 346 I C 1.292 177.524 176.117 0.192 0.000 1.129 346 I CA 1.128 62.472 61.300 0.074 0.000 1.455 346 I CB 0.070 38.041 38.000 -0.049 0.000 1.111 346 I HN 0.495 nan 8.210 nan 0.000 0.433 347 G N -0.156 108.779 108.800 0.225 0.000 2.371 347 G HA2 -0.069 3.892 3.960 0.001 0.000 0.663 347 G HA3 -0.069 3.892 3.960 0.001 0.000 0.663 347 G C -1.276 173.684 174.900 0.099 0.000 1.311 347 G CA -0.774 44.383 45.100 0.097 0.000 0.985 347 G HN 0.260 nan 8.290 nan 0.000 0.566 348 H N 0.876 119.885 119.070 -0.102 0.000 2.562 348 H HA 0.517 5.073 4.556 0.001 0.000 0.230 348 H C -2.536 172.743 175.328 -0.082 0.000 1.415 348 H CA -1.521 54.477 56.048 -0.083 0.000 1.454 348 H CB 1.479 31.178 29.762 -0.105 0.000 1.716 348 H HN 0.424 nan 8.280 nan 0.000 0.538 349 P HA 0.100 nan 4.420 nan 0.000 0.273 349 P C 1.296 178.463 177.300 -0.222 0.000 1.428 349 P CA -0.063 62.950 63.100 -0.145 0.000 0.995 349 P CB 0.527 32.190 31.700 -0.062 0.000 1.286 350 I N 2.826 123.189 120.570 -0.344 0.000 2.151 350 I HA -0.339 3.831 4.170 0.001 0.000 0.236 350 I C 2.472 178.476 176.117 -0.188 0.000 1.000 350 I CA 2.461 63.529 61.300 -0.388 0.000 1.285 350 I CB -1.163 36.673 38.000 -0.272 0.000 0.994 350 I HN 0.352 nan 8.210 nan 0.000 0.396 351 G N -0.669 108.059 108.800 -0.120 0.000 2.534 351 G HA2 0.010 3.971 3.960 0.001 0.000 0.217 351 G HA3 0.010 3.971 3.960 0.001 0.000 0.217 351 G C 1.563 176.425 174.900 -0.063 0.000 1.128 351 G CA 0.698 45.753 45.100 -0.074 0.000 0.784 351 G HN 0.566 nan 8.290 nan 0.000 0.542 352 A N 0.150 122.929 122.820 -0.068 0.000 2.147 352 A HA 0.300 4.621 4.320 0.001 0.000 0.211 352 A C 2.396 179.967 177.584 -0.021 0.000 1.160 352 A CA 1.401 53.408 52.037 -0.050 0.000 0.781 352 A CB -0.342 18.624 19.000 -0.057 0.000 0.842 352 A HN 0.320 nan 8.150 nan 0.000 0.475 353 S N 0.165 115.859 115.700 -0.010 0.000 2.383 353 S HA -0.099 4.372 4.470 0.001 0.000 0.229 353 S C 1.996 176.632 174.600 0.059 0.000 1.030 353 S CA 2.003 60.237 58.200 0.056 0.000 1.002 353 S CB -0.511 62.782 63.200 0.155 0.000 0.829 353 S HN 0.653 nan 8.310 nan 0.000 0.467 354 G N 0.164 108.989 108.800 0.043 0.000 2.421 354 G HA2 0.099 4.059 3.960 0.001 0.000 0.217 354 G HA3 0.099 4.059 3.960 0.001 0.000 0.217 354 G C 1.558 176.475 174.900 0.028 0.000 1.143 354 G CA 0.738 45.863 45.100 0.042 0.000 0.784 354 G HN 0.676 nan 8.290 nan 0.000 0.541 355 A N 0.042 122.868 122.820 0.011 0.000 2.067 355 A HA 0.193 4.513 4.320 0.001 0.000 0.217 355 A C 2.320 179.923 177.584 0.031 0.000 1.156 355 A CA 1.091 53.134 52.037 0.010 0.000 0.683 355 A CB -0.256 18.737 19.000 -0.011 0.000 0.808 355 A HN 0.213 nan 8.150 nan 0.000 0.455 356 R N 0.880 121.398 120.500 0.030 0.000 2.062 356 R HA -0.105 4.236 4.340 0.001 0.000 0.231 356 R C 2.084 178.416 176.300 0.053 0.000 1.136 356 R CA 1.972 58.094 56.100 0.035 0.000 0.948 356 R CB -0.719 29.596 30.300 0.025 0.000 0.845 356 R HN 0.724 nan 8.270 nan 0.000 0.430 357 I N -0.739 119.864 120.570 0.055 0.000 2.394 357 I HA -0.185 3.985 4.170 0.001 0.000 0.251 357 I C 2.217 178.375 176.117 0.068 0.000 1.136 357 I CA 1.074 62.411 61.300 0.061 0.000 1.425 357 I CB -0.428 37.604 38.000 0.053 0.000 1.079 357 I HN 0.039 nan 8.210 nan 0.000 0.425 358 L N 2.088 123.347 121.223 0.060 0.000 2.017 358 L HA -0.177 4.164 4.340 0.001 0.000 0.208 358 L C 2.349 179.266 176.870 0.078 0.000 1.073 358 L CA 1.850 56.722 54.840 0.054 0.000 0.745 358 L CB -1.222 40.859 42.059 0.037 0.000 0.894 358 L HN 0.289 nan 8.230 nan 0.000 0.432 359 N N -0.882 117.887 118.700 0.114 0.000 2.018 359 N HA -0.213 4.528 4.740 0.001 0.000 0.196 359 N C 1.659 177.355 175.510 0.309 0.000 1.043 359 N CA 2.353 55.538 53.050 0.226 0.000 0.856 359 N CB -0.359 38.253 38.487 0.209 0.000 1.042 359 N HN 0.434 nan 8.380 nan 0.000 0.423 360 T N 2.140 116.826 114.554 0.220 0.000 2.699 360 T HA -0.170 4.181 4.350 0.001 0.000 0.268 360 T C 1.999 176.812 174.700 0.188 0.000 1.036 360 T CA 0.918 63.160 62.100 0.237 0.000 1.147 360 T CB -0.376 68.607 68.868 0.192 0.000 0.862 360 T HN 0.149 nan 8.240 nan 0.000 0.446 361 L N 0.644 121.936 121.223 0.116 0.000 2.017 361 L HA 0.040 4.381 4.340 0.001 0.000 0.208 361 L C 2.180 179.074 176.870 0.039 0.000 1.073 361 L CA 1.594 56.471 54.840 0.061 0.000 0.745 361 L CB -0.522 41.557 42.059 0.033 0.000 0.894 361 L HN 0.234 nan 8.230 nan 0.000 0.432 362 L N -1.771 119.456 121.223 0.006 0.000 2.093 362 L HA -0.187 4.153 4.340 0.001 0.000 0.208 362 L C 2.269 179.027 176.870 -0.186 0.000 1.085 362 L CA 1.120 55.883 54.840 -0.128 0.000 0.755 362 L CB -0.508 41.398 42.059 -0.256 0.000 0.904 362 L HN 0.204 nan 8.230 nan 0.000 0.435 363 F N -0.024 119.945 119.950 0.032 0.000 2.187 363 F HA -0.126 4.401 4.527 0.001 0.000 0.295 363 F C 2.606 178.413 175.800 0.011 0.000 1.091 363 F CA 1.080 59.097 58.000 0.028 0.000 1.308 363 F CB -0.235 38.792 39.000 0.045 0.000 1.030 363 F HN 0.003 nan 8.300 nan 0.000 0.487 364 E N 0.328 120.629 120.200 0.168 0.000 2.153 364 E HA -0.196 4.155 4.350 0.001 0.000 0.194 364 E C 2.113 178.730 176.600 0.029 0.000 0.988 364 E CA 1.333 57.776 56.400 0.072 0.000 0.811 364 E CB -0.308 29.416 29.700 0.041 0.000 0.746 364 E HN 0.341 nan 8.360 nan 0.000 0.466 365 M N -0.256 119.351 119.600 0.012 0.000 2.159 365 M HA -0.140 4.340 4.480 0.001 0.000 0.263 365 M C 2.287 178.577 176.300 -0.016 0.000 1.063 365 M CA 1.494 56.786 55.300 -0.014 0.000 1.110 365 M CB -0.109 32.475 32.600 -0.027 0.000 1.374 365 M HN -0.010 nan 8.290 nan 0.000 0.411 366 K N 0.252 120.643 120.400 -0.015 0.000 2.103 366 K HA -0.169 4.151 4.320 0.001 0.000 0.204 366 K C 2.086 178.699 176.600 0.021 0.000 1.052 366 K CA 1.170 57.454 56.287 -0.006 0.000 0.945 366 K CB 0.040 32.531 32.500 -0.014 0.000 0.722 366 K HN 0.158 nan 8.250 nan 0.000 0.443 367 R N 0.874 121.398 120.500 0.039 0.000 2.073 367 R HA -0.089 4.251 4.340 0.001 0.000 0.229 367 R C 2.221 178.524 176.300 0.006 0.000 1.120 367 R CA 1.617 57.736 56.100 0.032 0.000 0.967 367 R CB -0.044 30.279 30.300 0.038 0.000 0.862 367 R HN 0.223 nan 8.270 nan 0.000 0.436 368 R N -1.312 119.187 120.500 -0.002 0.000 2.290 368 R HA 0.214 4.555 4.340 0.001 0.000 0.197 368 R C 0.647 176.937 176.300 -0.016 0.000 0.913 368 R CA 0.704 56.796 56.100 -0.013 0.000 1.040 368 R CB 0.355 30.642 30.300 -0.021 0.000 0.992 368 R HN 0.266 nan 8.270 nan 0.000 0.500 369 G N 0.814 109.606 108.800 -0.014 0.000 2.171 369 G HA2 -0.247 3.714 3.960 0.001 0.000 0.238 369 G HA3 -0.247 3.714 3.960 0.001 0.000 0.238 369 G C 0.114 174.997 174.900 -0.027 0.000 1.039 369 G CA -0.023 45.066 45.100 -0.018 0.000 0.759 369 G HN 0.672 nan 8.290 nan 0.000 0.501 370 A N -0.787 122.015 122.820 -0.030 0.000 2.388 370 A HA 0.762 5.082 4.320 0.001 0.000 0.257 370 A C 1.273 178.831 177.584 -0.044 0.000 1.095 370 A CA 0.717 52.729 52.037 -0.042 0.000 0.791 370 A CB 0.400 19.375 19.000 -0.042 0.000 1.029 370 A HN 0.543 nan 8.150 nan 0.000 0.489 371 R N 0.886 121.348 120.500 -0.063 0.000 2.123 371 R HA 0.145 4.485 4.340 0.001 0.000 0.209 371 R C -0.013 176.242 176.300 -0.075 0.000 1.078 371 R CA 0.886 56.948 56.100 -0.063 0.000 1.028 371 R CB 0.047 30.300 30.300 -0.078 0.000 0.939 371 R HN 0.612 nan 8.270 nan 0.000 0.463 372 K N 0.648 120.963 120.400 -0.141 0.000 2.323 372 K HA 0.555 4.875 4.320 0.001 0.000 0.259 372 K C -0.567 175.986 176.600 -0.079 0.000 0.947 372 K CA -0.470 55.688 56.287 -0.215 0.000 0.819 372 K CB 2.168 34.308 32.500 -0.600 0.000 1.109 372 K HN 0.198 nan 8.250 nan 0.000 0.429 373 G N 1.866 110.709 108.800 0.071 0.000 2.798 373 G HA2 0.788 4.748 3.960 0.001 0.000 0.286 373 G HA3 0.788 4.748 3.960 0.001 0.000 0.286 373 G C -1.869 173.141 174.900 0.183 0.000 1.389 373 G CA -0.654 44.492 45.100 0.076 0.000 0.894 373 G HN 0.490 nan 8.290 nan 0.000 0.488 374 L N -0.533 120.733 121.223 0.072 0.000 2.549 374 L HA 0.754 5.095 4.340 0.001 0.000 0.259 374 L C -0.843 176.039 176.870 0.019 0.000 0.934 374 L CA -0.708 54.186 54.840 0.090 0.000 0.865 374 L CB 1.927 44.063 42.059 0.130 0.000 1.352 374 L HN 0.977 nan 8.230 nan 0.000 0.410 375 A N 2.613 125.470 122.820 0.062 0.000 2.355 375 A HA 0.863 5.184 4.320 0.001 0.000 0.317 375 A C -0.673 176.967 177.584 0.094 0.000 1.094 375 A CA -0.273 51.797 52.037 0.054 0.000 0.764 375 A CB 1.895 20.928 19.000 0.055 0.000 1.230 375 A HN 0.665 nan 8.150 nan 0.000 0.448 376 T N 1.185 115.798 114.554 0.097 0.000 2.853 376 T HA 0.666 5.017 4.350 0.001 0.000 0.311 376 T C -1.869 172.901 174.700 0.118 0.000 1.307 376 T CA -0.332 61.849 62.100 0.135 0.000 1.019 376 T CB 0.634 69.623 68.868 0.202 0.000 1.264 376 T HN 0.682 nan 8.240 nan 0.000 0.497 377 L N 2.670 123.965 121.223 0.119 0.000 2.466 377 L HA 0.651 4.992 4.340 0.001 0.000 0.258 377 L C 0.311 177.244 176.870 0.106 0.000 0.973 377 L CA -0.935 53.967 54.840 0.103 0.000 0.826 377 L CB 1.673 43.794 42.059 0.103 0.000 1.372 377 L HN 0.999 nan 8.230 nan 0.000 0.409 378 C N 0.879 120.236 119.300 0.095 0.000 2.520 378 C HA 0.852 5.313 4.460 0.001 0.000 0.376 378 C C 0.043 175.104 174.990 0.118 0.000 1.268 378 C CA -0.767 58.313 59.018 0.103 0.000 2.414 378 C CB -0.025 27.775 27.740 0.100 0.000 2.521 378 C HN 0.671 nan 8.230 nan 0.000 0.618 379 I N 1.752 122.395 120.570 0.121 0.000 2.571 379 I HA 0.477 4.647 4.170 0.001 0.000 0.289 379 I C 0.842 177.034 176.117 0.125 0.000 1.115 379 I CA -0.250 61.122 61.300 0.120 0.000 1.045 379 I CB 1.728 39.794 38.000 0.109 0.000 1.238 379 I HN 1.059 nan 8.210 nan 0.000 0.424 380 G N 2.688 111.560 108.800 0.120 0.000 2.491 380 G HA2 0.409 4.369 3.960 0.001 0.000 0.242 380 G HA3 0.409 4.369 3.960 0.001 0.000 0.242 380 G C 0.961 175.943 174.900 0.136 0.000 1.266 380 G CA 0.590 45.762 45.100 0.119 0.000 0.844 380 G HN 1.213 nan 8.290 nan 0.000 0.571 381 G N -0.289 108.622 108.800 0.185 0.000 2.179 381 G HA2 0.229 4.189 3.960 0.001 0.000 0.260 381 G HA3 0.229 4.189 3.960 0.001 0.000 0.260 381 G C 1.193 176.238 174.900 0.242 0.000 0.977 381 G CA 0.936 46.220 45.100 0.306 0.000 0.641 381 G HN 2.727 nan 8.290 nan 0.000 0.533 382 G N -1.134 107.765 108.800 0.165 0.000 2.467 382 G HA2 0.102 4.062 3.960 0.001 0.000 0.242 382 G HA3 0.102 4.062 3.960 0.001 0.000 0.242 382 G C -0.088 174.870 174.900 0.097 0.000 1.127 382 G CA 0.771 45.942 45.100 0.118 0.000 0.924 382 G HN 1.110 nan 8.290 nan 0.000 0.499 383 M N -0.751 118.912 119.600 0.104 0.000 2.719 383 M HA 0.783 5.263 4.480 0.001 0.000 0.291 383 M C 0.545 176.904 176.300 0.099 0.000 1.264 383 M CA -0.350 55.008 55.300 0.096 0.000 0.811 383 M CB 2.367 35.029 32.600 0.102 0.000 1.756 383 M HN 0.561 nan 8.290 nan 0.000 0.464 384 G N -0.125 108.735 108.800 0.100 0.000 2.642 384 G HA2 0.741 4.702 3.960 0.001 0.000 0.293 384 G HA3 0.741 4.702 3.960 0.001 0.000 0.293 384 G C -2.227 172.750 174.900 0.128 0.000 1.341 384 G CA -0.613 44.552 45.100 0.108 0.000 0.916 384 G HN 0.577 nan 8.290 nan 0.000 0.474 385 V N -0.728 119.270 119.914 0.141 0.000 3.114 385 V HA 0.954 5.074 4.120 0.001 0.000 0.308 385 V C -0.813 175.387 176.094 0.177 0.000 1.168 385 V CA 0.104 62.512 62.300 0.180 0.000 1.015 385 V CB 1.973 33.900 31.823 0.174 0.000 1.050 385 V HN 1.968 nan 8.190 nan 0.000 0.433 386 A N 5.396 128.346 122.820 0.216 0.000 2.612 386 A HA 0.924 5.244 4.320 0.001 0.000 0.293 386 A C -1.334 176.379 177.584 0.216 0.000 1.075 386 A CA -0.467 51.682 52.037 0.188 0.000 0.680 386 A CB 2.049 21.144 19.000 0.159 0.000 1.279 386 A HN 1.304 nan 8.150 nan 0.000 0.411 387 M N 1.120 120.819 119.600 0.166 0.000 2.284 387 M HA 0.448 4.928 4.480 0.001 0.000 0.281 387 M C -1.957 174.408 176.300 0.108 0.000 1.083 387 M CA -0.170 55.222 55.300 0.153 0.000 0.965 387 M CB 1.543 34.227 32.600 0.140 0.000 1.717 387 M HN 0.751 nan 8.290 nan 0.000 0.479 388 C N 5.529 124.849 119.300 0.034 0.000 2.285 388 C HA 0.661 5.121 4.460 0.001 0.000 0.335 388 C C -0.181 174.845 174.990 0.060 0.000 1.267 388 C CA -0.679 58.338 59.018 -0.001 0.000 1.762 388 C CB -0.180 27.259 27.740 -0.503 0.000 2.365 388 C HN 0.591 nan 8.230 nan 0.000 0.527 389 I N 3.076 123.805 120.570 0.265 0.000 2.569 389 I HA 0.488 4.659 4.170 0.001 0.000 0.296 389 I C -0.118 176.210 176.117 0.352 0.000 1.028 389 I CA -0.208 61.223 61.300 0.219 0.000 1.082 389 I CB 1.789 39.862 38.000 0.122 0.000 1.264 389 I HN 0.706 nan 8.210 nan 0.000 0.429 390 E N 3.383 123.739 120.200 0.260 0.000 2.234 390 E HA 0.392 4.743 4.350 0.001 0.000 0.266 390 E C -0.621 176.038 176.600 0.098 0.000 0.877 390 E CA -0.513 56.015 56.400 0.213 0.000 0.758 390 E CB 1.681 31.558 29.700 0.294 0.000 1.170 390 E HN 0.660 nan 8.360 nan 0.000 0.415 391 S N 4.563 120.293 115.700 0.049 0.000 2.564 391 S HA 0.273 4.744 4.470 0.001 0.000 0.278 391 S C 0.625 175.237 174.600 0.021 0.000 1.333 391 S CA -0.800 57.410 58.200 0.017 0.000 1.048 391 S CB 0.495 63.692 63.200 -0.005 0.000 0.900 391 S HN 0.490 nan 8.310 nan 0.000 0.505 392 L N 0.000 121.231 121.223 0.014 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.015 0.000 0.813 392 L CB 0.000 42.065 42.059 0.011 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502