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 2vut_1_A DATA FIRST_RESID 3 DATA SEQUENCE QQKKTIAVVN ATGRQAASLI RVAAAVGHHV RAQVHSLKGL IAEELQAIPN DATA SEQUENCE VTLFQGPLLN NVPLMDTLFE GAHLAFINTT SQAGDEIAIG KDLADAAKRA DATA SEQUENCE GTIQHYIYSS MPDHSLYGPW PAVPMWAPKF TVENYVRQLG LPSTFVYAGI DATA SEQUENCE YNNNFTSLPY PLFQMELMPD GTFEWHAPFD PDIPLPWLDA EHDVGPALLQ DATA SEQUENCE IFKDGPQKWN GHRIALTFET LSPVQVCAAF SRALNRRVTY VQVPKVEIKV DATA SEQUENCE NIPVGYREQL EAIEVVFGEH KAPYFPLPEF SXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXRVTDEAR KLWSGWRDME EYAREVFPIE EEANGLDWML 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 3 Q CA 0.000 55.815 55.803 0.021 0.000 1.022 3 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 4 Q N 1.976 121.763 119.800 -0.023 0.000 2.361 4 Q HA 0.174 4.514 4.340 -0.000 0.000 0.276 4 Q C -0.682 175.272 176.000 -0.076 0.000 1.022 4 Q CA 0.407 56.174 55.803 -0.059 0.000 0.898 4 Q CB 0.453 29.150 28.738 -0.068 0.000 1.246 4 Q HN 0.147 nan 8.270 nan 0.000 0.410 5 K N 2.949 123.245 120.400 -0.173 0.000 2.316 5 K HA 0.234 4.554 4.320 -0.000 0.000 0.289 5 K C 0.127 176.668 176.600 -0.099 0.000 1.070 5 K CA -0.071 56.002 56.287 -0.356 0.000 0.928 5 K CB 0.648 32.786 32.500 -0.603 0.000 1.039 5 K HN 0.380 nan 8.250 nan 0.000 0.480 6 K N 0.954 121.463 120.400 0.181 0.000 2.132 6 K HA 0.332 4.652 4.320 -0.000 0.000 0.241 6 K C 0.045 176.817 176.600 0.286 0.000 1.000 6 K CA -0.749 55.677 56.287 0.232 0.000 0.911 6 K CB 0.788 33.401 32.500 0.188 0.000 1.093 6 K HN 0.281 nan 8.250 nan 0.000 0.460 7 T N 1.728 116.455 114.554 0.287 0.000 2.832 7 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 7 T C 0.136 174.847 174.700 0.019 0.000 0.968 7 T CA -0.251 61.921 62.100 0.120 0.000 1.107 7 T CB 0.025 68.906 68.868 0.021 0.000 0.916 7 T HN 0.280 nan 8.240 nan 0.000 0.517 8 I N 2.492 123.058 120.570 -0.007 0.000 2.404 8 I HA 0.566 4.736 4.170 -0.000 0.000 0.293 8 I C 0.266 176.390 176.117 0.011 0.000 0.992 8 I CA -1.156 60.101 61.300 -0.072 0.000 1.149 8 I CB 1.601 39.486 38.000 -0.191 0.000 1.315 8 I HN 0.582 nan 8.210 nan 0.000 0.446 9 A N 6.674 129.521 122.820 0.045 0.000 2.274 9 A HA 0.786 5.106 4.320 -0.000 0.000 0.309 9 A C -0.542 177.055 177.584 0.022 0.000 1.226 9 A CA -0.390 51.648 52.037 0.002 0.000 0.853 9 A CB 0.805 19.776 19.000 -0.047 0.000 1.146 9 A HN 0.482 nan 8.150 nan 0.000 0.518 10 V N 2.943 122.858 119.914 0.003 0.000 2.876 10 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 10 V C 0.053 176.144 176.094 -0.004 0.000 1.085 10 V CA -0.491 61.834 62.300 0.043 0.000 0.945 10 V CB 1.759 33.654 31.823 0.120 0.000 1.017 10 V HN 1.116 nan 8.190 nan 0.000 0.428 11 V N 0.174 120.080 119.914 -0.012 0.000 3.103 11 V HA 0.635 4.755 4.120 -0.000 0.000 0.318 11 V C 0.554 176.661 176.094 0.021 0.000 1.114 11 V CA -0.418 61.880 62.300 -0.004 0.000 1.020 11 V CB 1.500 33.317 31.823 -0.010 0.000 1.085 11 V HN 1.049 nan 8.190 nan 0.000 0.446 12 N N -0.218 118.503 118.700 0.036 0.000 2.727 12 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 12 N C 1.243 176.786 175.510 0.055 0.000 1.048 12 N CA 0.533 53.610 53.050 0.045 0.000 0.714 12 N CB -0.549 37.957 38.487 0.031 0.000 0.959 12 N HN 1.384 nan 8.380 nan 0.000 0.544 13 A N -0.113 122.740 122.820 0.054 0.000 1.997 13 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 13 A C 2.205 179.813 177.584 0.039 0.000 1.172 13 A CA 2.383 54.449 52.037 0.049 0.000 0.645 13 A CB -0.877 18.145 19.000 0.036 0.000 0.813 13 A HN 0.826 nan 8.150 nan 0.000 0.454 14 T N -2.670 111.908 114.554 0.039 0.000 3.088 14 T HA 0.321 4.671 4.350 -0.000 0.000 0.259 14 T C 1.044 175.762 174.700 0.029 0.000 1.122 14 T CA 0.443 62.562 62.100 0.030 0.000 1.095 14 T CB -0.526 68.364 68.868 0.035 0.000 0.930 14 T HN 0.557 nan 8.240 nan 0.000 0.508 15 G N 0.700 109.525 108.800 0.042 0.000 2.554 15 G HA2 0.262 4.222 3.960 -0.000 0.000 0.238 15 G HA3 0.262 4.222 3.960 -0.000 0.000 0.238 15 G C 0.685 175.603 174.900 0.029 0.000 1.259 15 G CA -0.734 44.395 45.100 0.049 0.000 0.843 15 G HN 0.319 nan 8.290 nan 0.000 0.582 16 R N 0.124 120.627 120.500 0.005 0.000 2.081 16 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 16 R C 2.826 179.059 176.300 -0.111 0.000 1.131 16 R CA 1.969 58.011 56.100 -0.096 0.000 0.960 16 R CB -0.136 30.017 30.300 -0.245 0.000 0.856 16 R HN 0.722 nan 8.270 nan 0.000 0.436 17 Q N -0.331 119.454 119.800 -0.026 0.000 2.020 17 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 17 Q C 2.243 178.260 176.000 0.028 0.000 0.982 17 Q CA 1.621 57.436 55.803 0.020 0.000 0.838 17 Q CB -0.172 28.722 28.738 0.259 0.000 0.899 17 Q HN 0.360 nan 8.270 nan 0.000 0.423 18 A N 1.208 124.139 122.820 0.186 0.000 1.877 18 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 18 A C 2.329 179.932 177.584 0.032 0.000 1.186 18 A CA 1.712 53.860 52.037 0.185 0.000 0.620 18 A CB -0.941 18.175 19.000 0.194 0.000 0.822 18 A HN 0.410 nan 8.150 nan 0.000 0.443 19 A N -0.869 121.954 122.820 0.005 0.000 1.940 19 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 19 A C 2.481 180.026 177.584 -0.066 0.000 1.176 19 A CA 2.257 54.279 52.037 -0.025 0.000 0.631 19 A CB -0.979 18.007 19.000 -0.024 0.000 0.814 19 A HN 0.568 nan 8.150 nan 0.000 0.446 20 S N -0.677 114.961 115.700 -0.103 0.000 2.356 20 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 20 S C 1.969 176.463 174.600 -0.176 0.000 1.032 20 S CA 1.610 59.721 58.200 -0.149 0.000 1.005 20 S CB -0.480 62.609 63.200 -0.186 0.000 0.867 20 S HN 0.606 nan 8.310 nan 0.000 0.449 21 L N 1.594 122.691 121.223 -0.209 0.000 2.046 21 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 21 L C 2.029 178.829 176.870 -0.117 0.000 1.077 21 L CA 1.751 56.459 54.840 -0.221 0.000 0.747 21 L CB -0.604 41.262 42.059 -0.321 0.000 0.896 21 L HN 0.429 nan 8.230 nan 0.000 0.432 22 I N -0.674 119.855 120.570 -0.068 0.000 2.226 22 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 22 I C 2.658 178.753 176.117 -0.038 0.000 1.100 22 I CA 1.269 62.549 61.300 -0.032 0.000 1.374 22 I CB -0.395 37.598 38.000 -0.011 0.000 1.057 22 I HN 0.275 nan 8.210 nan 0.000 0.413 23 R N 0.509 120.975 120.500 -0.057 0.000 2.070 23 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 23 R C 2.387 178.654 176.300 -0.056 0.000 1.137 23 R CA 1.976 58.043 56.100 -0.055 0.000 0.945 23 R CB -0.706 29.553 30.300 -0.068 0.000 0.845 23 R HN 0.399 nan 8.270 nan 0.000 0.430 24 V N -1.505 118.357 119.914 -0.086 0.000 2.427 24 V HA -0.045 4.075 4.120 -0.000 0.000 0.248 24 V C 2.288 178.368 176.094 -0.023 0.000 1.051 24 V CA 1.657 63.906 62.300 -0.085 0.000 1.048 24 V CB -0.897 30.831 31.823 -0.158 0.000 0.666 24 V HN 0.262 nan 8.190 nan 0.000 0.456 25 A N 0.956 123.768 122.820 -0.014 0.000 1.873 25 A HA 0.097 4.417 4.320 -0.000 0.000 0.215 25 A C 2.505 180.165 177.584 0.127 0.000 1.186 25 A CA 2.368 54.445 52.037 0.067 0.000 0.616 25 A CB -1.154 17.831 19.000 -0.024 0.000 0.823 25 A HN 0.939 nan 8.150 nan 0.000 0.442 26 A N -0.209 122.647 122.820 0.061 0.000 1.933 26 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 26 A C 2.477 180.084 177.584 0.040 0.000 1.175 26 A CA 1.977 54.048 52.037 0.057 0.000 0.628 26 A CB -0.950 18.059 19.000 0.015 0.000 0.814 26 A HN 1.030 nan 8.150 nan 0.000 0.444 27 A N 0.005 122.836 122.820 0.018 0.000 1.877 27 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 27 A C 2.252 179.841 177.584 0.008 0.000 1.186 27 A CA 2.197 54.235 52.037 0.003 0.000 0.620 27 A CB -1.196 17.795 19.000 -0.016 0.000 0.822 27 A HN 1.209 nan 8.150 nan 0.000 0.443 28 V N -3.841 116.088 119.914 0.026 0.000 3.217 28 V HA 0.464 4.584 4.120 -0.000 0.000 0.264 28 V C 1.404 177.468 176.094 -0.050 0.000 1.135 28 V CA 1.488 63.792 62.300 0.006 0.000 1.142 28 V CB -0.398 31.450 31.823 0.042 0.000 0.754 28 V HN 1.478 nan 8.190 nan 0.000 0.484 29 G N -1.125 107.657 108.800 -0.029 0.000 2.260 29 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.179 29 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.179 29 G C -0.023 174.837 174.900 -0.068 0.000 1.002 29 G CA 0.027 45.089 45.100 -0.064 0.000 0.677 29 G HN 0.655 nan 8.290 nan 0.000 0.486 30 H N 0.985 120.081 119.070 0.043 0.000 2.652 30 H HA 0.280 4.836 4.556 -0.000 0.000 0.349 30 H C 0.131 175.555 175.328 0.160 0.000 1.099 30 H CA 0.236 56.312 56.048 0.046 0.000 1.417 30 H CB 0.382 30.138 29.762 -0.010 0.000 1.457 30 H HN 0.403 nan 8.280 nan 0.000 0.568 31 H N 1.252 120.389 119.070 0.112 0.000 2.548 31 H HA 0.251 4.807 4.556 -0.000 0.000 0.331 31 H C -0.254 175.106 175.328 0.054 0.000 1.093 31 H CA -0.695 55.391 56.048 0.063 0.000 1.367 31 H CB 1.217 31.011 29.762 0.053 0.000 1.455 31 H HN 0.168 nan 8.280 nan 0.000 0.519 32 V N 4.448 124.433 119.914 0.118 0.000 2.555 32 V HA 0.358 4.479 4.120 -0.000 0.000 0.302 32 V C -0.101 176.029 176.094 0.060 0.000 1.038 32 V CA -0.769 61.572 62.300 0.069 0.000 0.887 32 V CB 1.868 33.713 31.823 0.037 0.000 0.991 32 V HN 0.772 nan 8.190 nan 0.000 0.434 33 R N 2.797 123.346 120.500 0.083 0.000 2.435 33 R HA 0.805 5.145 4.340 -0.000 0.000 0.308 33 R C -0.768 175.609 176.300 0.128 0.000 0.975 33 R CA -0.299 55.898 56.100 0.162 0.000 0.867 33 R CB 2.012 32.427 30.300 0.191 0.000 1.171 33 R HN 0.838 nan 8.270 nan 0.000 0.470 34 A N 2.326 125.236 122.820 0.150 0.000 2.414 34 A HA 0.352 4.672 4.320 -0.000 0.000 0.306 34 A C -1.230 176.441 177.584 0.145 0.000 1.054 34 A CA -0.719 51.380 52.037 0.103 0.000 0.724 34 A CB 1.975 21.007 19.000 0.053 0.000 1.267 34 A HN 0.506 nan 8.150 nan 0.000 0.418 35 Q N 1.481 121.338 119.800 0.095 0.000 2.243 35 Q HA 0.564 4.904 4.340 -0.000 0.000 0.252 35 Q C -0.910 175.135 176.000 0.075 0.000 0.909 35 Q CA -0.243 55.620 55.803 0.100 0.000 0.922 35 Q CB 1.329 30.095 28.738 0.046 0.000 1.215 35 Q HN 1.254 nan 8.270 nan 0.000 0.427 36 V N 1.702 121.662 119.914 0.076 0.000 2.876 36 V HA 0.303 4.423 4.120 -0.000 0.000 0.312 36 V C 0.605 176.754 176.094 0.092 0.000 1.085 36 V CA -0.623 61.720 62.300 0.071 0.000 0.945 36 V CB 1.502 33.347 31.823 0.036 0.000 1.017 36 V HN 0.994 nan 8.190 nan 0.000 0.428 37 H N 2.759 121.841 119.070 0.020 0.000 2.333 37 H HA 0.289 4.845 4.556 -0.000 0.000 0.302 37 H C 0.754 176.092 175.328 0.016 0.000 1.075 37 H CA 1.844 57.904 56.048 0.020 0.000 1.348 37 H CB 0.411 30.183 29.762 0.017 0.000 1.393 37 H HN 0.784 nan 8.280 nan 0.000 0.509 38 S N -0.822 114.823 115.700 -0.092 0.000 2.570 38 S HA 0.332 4.802 4.470 -0.000 0.000 0.286 38 S C 0.628 175.198 174.600 -0.050 0.000 1.099 38 S CA -0.709 57.406 58.200 -0.141 0.000 0.913 38 S CB 1.955 65.093 63.200 -0.104 0.000 1.085 38 S HN 0.279 nan 8.310 nan 0.000 0.480 39 L N 0.671 121.860 121.223 -0.057 0.000 2.416 39 L HA 0.196 4.536 4.340 -0.000 0.000 0.216 39 L C 0.348 177.202 176.870 -0.027 0.000 1.098 39 L CA 0.734 55.551 54.840 -0.039 0.000 0.840 39 L CB -0.017 42.014 42.059 -0.047 0.000 0.981 39 L HN 0.454 nan 8.230 nan 0.000 0.462 40 K N 0.921 121.307 120.400 -0.023 0.000 2.297 40 K HA 0.522 4.842 4.320 -0.000 0.000 0.286 40 K C 0.043 176.645 176.600 0.003 0.000 1.053 40 K CA 0.069 56.349 56.287 -0.010 0.000 0.940 40 K CB 1.129 33.624 32.500 -0.009 0.000 1.019 40 K HN 0.104 nan 8.250 nan 0.000 0.475 41 G N 1.238 110.041 108.800 0.004 0.000 2.337 41 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.310 41 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.310 41 G C -0.367 174.537 174.900 0.007 0.000 1.534 41 G CA -0.908 44.199 45.100 0.012 0.000 0.982 41 G HN 0.440 nan 8.290 nan 0.000 0.672 42 L N 1.360 122.590 121.223 0.012 0.000 1.955 42 L HA 0.009 4.349 4.340 -0.000 0.000 0.213 42 L C 2.879 179.751 176.870 0.003 0.000 1.072 42 L CA 2.270 57.115 54.840 0.007 0.000 0.755 42 L CB -0.658 41.409 42.059 0.013 0.000 0.888 42 L HN 0.674 nan 8.230 nan 0.000 0.432 43 I N 0.325 120.899 120.570 0.007 0.000 2.091 43 I HA -0.324 3.846 4.170 -0.000 0.000 0.239 43 I C 2.781 178.896 176.117 -0.002 0.000 1.061 43 I CA 1.706 63.008 61.300 0.002 0.000 1.317 43 I CB -2.217 35.788 38.000 0.008 0.000 1.031 43 I HN 0.416 nan 8.210 nan 0.000 0.401 44 A N 0.573 123.394 122.820 0.002 0.000 1.884 44 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 44 A C 2.408 179.983 177.584 -0.016 0.000 1.197 44 A CA 2.423 54.457 52.037 -0.005 0.000 0.637 44 A CB -1.030 17.969 19.000 -0.002 0.000 0.827 44 A HN 0.570 nan 8.150 nan 0.000 0.450 45 E N -0.559 119.632 120.200 -0.014 0.000 2.058 45 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 45 E C 2.091 178.678 176.600 -0.022 0.000 0.997 45 E CA 1.506 57.894 56.400 -0.019 0.000 0.801 45 E CB -0.192 29.499 29.700 -0.014 0.000 0.746 45 E HN 0.783 nan 8.360 nan 0.000 0.450 46 E N 0.447 120.636 120.200 -0.018 0.000 2.033 46 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 46 E C 2.294 178.878 176.600 -0.027 0.000 1.011 46 E CA 1.559 57.947 56.400 -0.021 0.000 0.815 46 E CB -0.248 29.442 29.700 -0.017 0.000 0.755 46 E HN 0.326 nan 8.360 nan 0.000 0.451 47 L N 0.534 121.742 121.223 -0.026 0.000 2.043 47 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 47 L C 2.953 179.797 176.870 -0.043 0.000 1.075 47 L CA 1.608 56.430 54.840 -0.031 0.000 0.752 47 L CB -0.646 41.398 42.059 -0.025 0.000 0.891 47 L HN 0.286 nan 8.230 nan 0.000 0.432 48 Q N 0.487 120.259 119.800 -0.045 0.000 2.096 48 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 48 Q C 2.187 178.154 176.000 -0.055 0.000 0.982 48 Q CA 2.261 58.029 55.803 -0.058 0.000 0.850 48 Q CB -0.343 28.363 28.738 -0.053 0.000 0.901 48 Q HN 0.447 nan 8.270 nan 0.000 0.422 49 A N 0.222 123.016 122.820 -0.044 0.000 1.972 49 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 49 A C 0.920 178.478 177.584 -0.043 0.000 1.169 49 A CA 0.744 52.757 52.037 -0.040 0.000 0.635 49 A CB -0.713 18.268 19.000 -0.032 0.000 0.810 49 A HN 0.449 nan 8.150 nan 0.000 0.446 50 I N 0.869 121.413 120.570 -0.043 0.000 2.587 50 I HA 0.021 4.191 4.170 -0.000 0.000 0.284 50 I C -1.367 174.717 176.117 -0.056 0.000 1.134 50 I CA -1.493 59.781 61.300 -0.043 0.000 1.410 50 I CB 0.472 38.449 38.000 -0.037 0.000 1.392 50 I HN 0.103 nan 8.210 nan 0.000 0.545 51 P HA -0.238 nan 4.420 nan 0.000 0.208 51 P C 0.508 177.741 177.300 -0.111 0.000 0.999 51 P CA 1.493 64.550 63.100 -0.072 0.000 0.988 51 P CB 0.014 31.681 31.700 -0.055 0.000 0.745 52 N N -0.399 118.224 118.700 -0.128 0.000 2.581 52 N HA 0.036 4.776 4.740 -0.000 0.000 0.230 52 N C -0.696 174.718 175.510 -0.160 0.000 1.310 52 N CA 0.415 53.324 53.050 -0.235 0.000 0.886 52 N CB -0.400 37.926 38.487 -0.269 0.000 1.205 52 N HN 0.031 nan 8.380 nan 0.000 0.488 53 V N 1.032 120.875 119.914 -0.119 0.000 2.304 53 V HA 0.159 4.279 4.120 -0.000 0.000 0.278 53 V C 0.302 176.320 176.094 -0.125 0.000 1.018 53 V CA -0.563 61.685 62.300 -0.088 0.000 0.814 53 V CB 1.362 33.148 31.823 -0.063 0.000 1.021 53 V HN 0.025 nan 8.190 nan 0.000 0.440 54 T N 6.945 121.417 114.554 -0.137 0.000 2.771 54 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 54 T C -0.125 174.372 174.700 -0.337 0.000 0.954 54 T CA -0.109 61.839 62.100 -0.253 0.000 1.045 54 T CB 0.655 69.377 68.868 -0.243 0.000 0.917 54 T HN 0.317 nan 8.240 nan 0.000 0.484 55 L N 3.388 124.351 121.223 -0.434 0.000 2.325 55 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 55 L C -0.938 175.554 176.870 -0.629 0.000 1.023 55 L CA -0.887 53.737 54.840 -0.361 0.000 0.811 55 L CB 1.167 43.115 42.059 -0.186 0.000 1.249 55 L HN 0.576 nan 8.230 nan 0.000 0.431 56 F N 1.162 121.090 119.950 -0.038 0.000 2.496 56 F HA 0.323 4.850 4.527 -0.000 0.000 0.341 56 F C 0.137 175.919 175.800 -0.031 0.000 1.134 56 F CA -0.494 57.484 58.000 -0.036 0.000 0.968 56 F CB 1.596 40.569 39.000 -0.046 0.000 1.205 56 F HN 0.393 nan 8.300 nan 0.000 0.436 57 Q N 2.850 122.702 119.800 0.086 0.000 2.274 57 Q HA 0.698 5.038 4.340 -0.000 0.000 0.256 57 Q C -0.266 175.761 176.000 0.045 0.000 0.927 57 Q CA -0.313 55.512 55.803 0.036 0.000 0.939 57 Q CB 1.481 30.207 28.738 -0.020 0.000 1.201 57 Q HN 0.956 nan 8.270 nan 0.000 0.426 58 G N 3.759 112.583 108.800 0.041 0.000 2.340 58 G HA2 0.192 4.152 3.960 -0.000 0.000 0.300 58 G HA3 0.192 4.152 3.960 -0.000 0.000 0.300 58 G C -3.248 171.702 174.900 0.084 0.000 1.488 58 G CA -0.872 44.255 45.100 0.046 0.000 0.878 58 G HN 0.533 nan 8.290 nan 0.000 0.618 59 P HA 0.387 nan 4.420 nan 0.000 0.281 59 P C 0.774 178.121 177.300 0.078 0.000 1.249 59 P CA -0.619 62.559 63.100 0.129 0.000 0.810 59 P CB 1.860 33.637 31.700 0.129 0.000 1.008 60 L N 0.604 121.869 121.223 0.070 0.000 2.127 60 L HA 0.029 4.369 4.340 -0.000 0.000 0.203 60 L C 1.459 178.357 176.870 0.046 0.000 1.080 60 L CA 0.157 55.029 54.840 0.053 0.000 0.768 60 L CB -0.494 41.598 42.059 0.055 0.000 0.924 60 L HN 0.304 nan 8.230 nan 0.000 0.444 61 L N 2.226 123.475 121.223 0.043 0.000 2.578 61 L HA -0.081 4.259 4.340 -0.000 0.000 0.279 61 L C 0.393 177.281 176.870 0.030 0.000 1.227 61 L CA 0.423 55.283 54.840 0.034 0.000 0.900 61 L CB -0.383 41.694 42.059 0.030 0.000 1.144 61 L HN 0.308 nan 8.230 nan 0.000 0.496 62 N N 3.278 121.993 118.700 0.023 0.000 2.678 62 N HA -0.291 4.449 4.740 -0.000 0.000 0.268 62 N C -0.497 175.026 175.510 0.023 0.000 1.010 62 N CA 0.980 54.042 53.050 0.019 0.000 0.784 62 N CB -1.110 37.387 38.487 0.016 0.000 0.905 62 N HN 0.697 nan 8.380 nan 0.000 0.552 63 N N -0.142 118.573 118.700 0.025 0.000 2.700 63 N HA 0.168 4.908 4.740 -0.000 0.000 0.242 63 N C 0.570 176.094 175.510 0.022 0.000 1.541 63 N CA -0.351 52.713 53.050 0.023 0.000 0.764 63 N CB 0.191 38.694 38.487 0.027 0.000 1.319 63 N HN -0.076 nan 8.380 nan 0.000 0.518 64 V N 1.355 121.284 119.914 0.024 0.000 2.515 64 V HA -0.027 4.093 4.120 -0.000 0.000 0.250 64 V C -0.853 175.251 176.094 0.018 0.000 1.058 64 V CA 1.381 63.699 62.300 0.031 0.000 1.064 64 V CB -0.937 30.904 31.823 0.031 0.000 0.675 64 V HN 0.403 nan 8.190 nan 0.000 0.461 65 P HA -0.163 nan 4.420 nan 0.000 0.218 65 P C 1.883 179.155 177.300 -0.047 0.000 1.148 65 P CA 1.144 64.237 63.100 -0.011 0.000 0.822 65 P CB -0.020 31.677 31.700 -0.004 0.000 0.784 66 L N -1.558 119.636 121.223 -0.048 0.000 2.072 66 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 66 L C 2.215 178.990 176.870 -0.160 0.000 1.079 66 L CA 1.855 56.633 54.840 -0.104 0.000 0.752 66 L CB -1.185 40.847 42.059 -0.046 0.000 0.906 66 L HN -0.107 nan 8.230 nan 0.000 0.436 67 M N -0.803 118.756 119.600 -0.067 0.000 2.117 67 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 67 M C 1.821 178.131 176.300 0.017 0.000 1.065 67 M CA 1.676 56.956 55.300 -0.034 0.000 1.114 67 M CB -0.559 32.119 32.600 0.129 0.000 1.361 67 M HN 0.210 nan 8.290 nan 0.000 0.408 68 D N 0.002 120.424 120.400 0.037 0.000 2.097 68 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 68 D C 1.995 178.269 176.300 -0.043 0.000 0.989 68 D CA 1.705 55.741 54.000 0.060 0.000 0.827 68 D CB -0.459 40.358 40.800 0.028 0.000 0.966 68 D HN 0.299 nan 8.370 nan 0.000 0.456 69 T N 1.583 116.028 114.554 -0.181 0.000 2.652 69 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 69 T C 1.972 176.392 174.700 -0.467 0.000 1.039 69 T CA 0.714 62.614 62.100 -0.333 0.000 1.153 69 T CB -0.508 68.050 68.868 -0.516 0.000 0.863 69 T HN 0.026 nan 8.240 nan 0.000 0.428 70 L N 0.589 121.453 121.223 -0.598 0.000 2.051 70 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 70 L C 1.616 178.232 176.870 -0.423 0.000 1.076 70 L CA 1.856 56.329 54.840 -0.611 0.000 0.758 70 L CB -0.782 40.865 42.059 -0.687 0.000 0.890 70 L HN 0.230 nan 8.230 nan 0.000 0.433 71 F N -0.342 119.555 119.950 -0.087 0.000 2.797 71 F HA 0.163 4.690 4.527 -0.000 0.000 0.302 71 F C 1.119 176.887 175.800 -0.054 0.000 1.130 71 F CA -0.445 57.533 58.000 -0.037 0.000 1.387 71 F CB -0.680 38.325 39.000 0.009 0.000 1.107 71 F HN 0.076 nan 8.300 nan 0.000 0.577 72 E N 0.383 120.617 120.200 0.056 0.000 2.406 72 E HA 0.259 4.609 4.350 -0.000 0.000 0.258 72 E C 1.257 177.861 176.600 0.006 0.000 1.043 72 E CA 0.607 57.024 56.400 0.028 0.000 0.929 72 E CB 0.057 29.754 29.700 -0.004 0.000 0.969 72 E HN 0.454 nan 8.360 nan 0.000 0.462 73 G N 2.759 111.550 108.800 -0.015 0.000 2.155 73 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 73 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 73 G C 0.271 174.964 174.900 -0.345 0.000 0.983 73 G CA 0.093 45.133 45.100 -0.101 0.000 0.676 73 G HN 0.721 nan 8.290 nan 0.000 0.528 74 A N -0.019 122.683 122.820 -0.196 0.000 2.328 74 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 74 A C 0.975 178.411 177.584 -0.246 0.000 1.160 74 A CA 0.205 52.124 52.037 -0.196 0.000 0.818 74 A CB 0.303 19.371 19.000 0.114 0.000 1.087 74 A HN 0.444 nan 8.150 nan 0.000 0.504 75 H N 2.112 121.235 119.070 0.088 0.000 2.681 75 H HA 0.319 4.875 4.556 -0.000 0.000 0.268 75 H C -0.039 175.330 175.328 0.069 0.000 0.967 75 H CA 0.498 56.588 56.048 0.070 0.000 1.233 75 H CB 0.193 29.979 29.762 0.040 0.000 1.445 75 H HN 0.504 nan 8.280 nan 0.000 0.494 76 L N 0.057 121.333 121.223 0.087 0.000 2.309 76 L HA 0.770 5.110 4.340 -0.000 0.000 0.261 76 L C -0.622 176.289 176.870 0.068 0.000 1.021 76 L CA -1.256 53.572 54.840 -0.019 0.000 0.823 76 L CB 2.498 44.211 42.059 -0.577 0.000 1.366 76 L HN -0.006 nan 8.230 nan 0.000 0.423 77 A N 1.220 124.150 122.820 0.184 0.000 2.513 77 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 77 A C -1.919 175.791 177.584 0.209 0.000 1.052 77 A CA -0.306 51.844 52.037 0.189 0.000 0.714 77 A CB 1.440 20.575 19.000 0.224 0.000 1.279 77 A HN 0.491 nan 8.150 nan 0.000 0.397 78 F N 4.532 124.515 119.950 0.055 0.000 2.445 78 F HA 0.712 5.239 4.527 -0.000 0.000 0.348 78 F C -1.271 174.476 175.800 -0.088 0.000 1.125 78 F CA -1.379 56.607 58.000 -0.023 0.000 0.983 78 F CB 0.958 39.981 39.000 0.039 0.000 1.198 78 F HN 0.363 nan 8.300 nan 0.000 0.436 79 I N 5.553 125.611 120.570 -0.853 0.000 2.382 79 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 79 I C -0.893 174.759 176.117 -0.776 0.000 1.002 79 I CA -0.595 60.347 61.300 -0.595 0.000 1.135 79 I CB 1.245 39.136 38.000 -0.180 0.000 1.288 79 I HN 0.600 nan 8.210 nan 0.000 0.448 80 N N 4.580 122.914 118.700 -0.611 0.000 2.577 80 N HA 0.319 5.059 4.740 -0.000 0.000 0.275 80 N C -0.425 174.988 175.510 -0.162 0.000 1.091 80 N CA -0.313 52.474 53.050 -0.437 0.000 0.843 80 N CB 1.202 39.487 38.487 -0.337 0.000 1.295 80 N HN 0.649 nan 8.380 nan 0.000 0.530 81 T N -0.294 114.213 114.554 -0.078 0.000 2.874 81 T HA 0.652 5.002 4.350 -0.000 0.000 0.281 81 T C 0.241 174.958 174.700 0.028 0.000 0.994 81 T CA -0.586 61.525 62.100 0.018 0.000 1.015 81 T CB 1.147 70.072 68.868 0.094 0.000 1.028 81 T HN 0.431 nan 8.240 nan 0.000 0.523 82 T N -1.668 112.906 114.554 0.033 0.000 2.841 82 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 82 T C 1.420 176.137 174.700 0.029 0.000 1.000 82 T CA -0.296 61.822 62.100 0.031 0.000 0.977 82 T CB 1.606 70.477 68.868 0.005 0.000 0.979 82 T HN 0.755 nan 8.240 nan 0.000 0.446 83 S N 2.414 118.137 115.700 0.040 0.000 2.387 83 S HA -0.289 4.181 4.470 -0.000 0.000 0.230 83 S C 1.791 176.395 174.600 0.007 0.000 1.035 83 S CA 1.201 59.423 58.200 0.037 0.000 1.014 83 S CB -0.866 62.363 63.200 0.048 0.000 0.836 83 S HN 0.814 nan 8.310 nan 0.000 0.466 84 Q N 1.270 121.057 119.800 -0.021 0.000 2.217 84 Q HA -0.082 4.258 4.340 -0.000 0.000 0.209 84 Q C 2.384 178.343 176.000 -0.068 0.000 0.988 84 Q CA 1.512 57.283 55.803 -0.053 0.000 0.878 84 Q CB -0.587 28.097 28.738 -0.090 0.000 0.909 84 Q HN 0.843 nan 8.270 nan 0.000 0.424 85 A N 0.169 122.957 122.820 -0.052 0.000 2.206 85 A HA 0.329 4.649 4.320 -0.000 0.000 0.211 85 A C 0.976 178.555 177.584 -0.008 0.000 1.158 85 A CA 0.996 53.007 52.037 -0.044 0.000 0.761 85 A CB -0.131 18.860 19.000 -0.014 0.000 0.801 85 A HN 0.442 nan 8.150 nan 0.000 0.473 86 G N -0.755 108.046 108.800 0.002 0.000 2.331 86 G HA2 0.113 4.073 3.960 -0.000 0.000 0.479 86 G HA3 0.113 4.073 3.960 -0.000 0.000 0.479 86 G C -1.012 173.904 174.900 0.026 0.000 1.262 86 G CA -0.268 44.841 45.100 0.014 0.000 1.029 86 G HN 0.388 nan 8.290 nan 0.000 0.487 87 D N 0.533 120.948 120.400 0.025 0.000 2.479 87 D HA 0.152 4.792 4.640 -0.000 0.000 0.257 87 D C 1.572 177.896 176.300 0.040 0.000 1.230 87 D CA 0.803 54.821 54.000 0.029 0.000 0.912 87 D CB 0.392 41.202 40.800 0.017 0.000 1.130 87 D HN 0.463 nan 8.370 nan 0.000 0.515 88 E N 3.020 123.257 120.200 0.061 0.000 2.204 88 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 88 E C 1.825 178.473 176.600 0.080 0.000 0.989 88 E CA 0.575 57.029 56.400 0.090 0.000 0.824 88 E CB 0.191 29.966 29.700 0.125 0.000 0.756 88 E HN 0.669 nan 8.360 nan 0.000 0.477 89 I N 1.039 121.637 120.570 0.047 0.000 2.163 89 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 89 I C 2.579 178.665 176.117 -0.052 0.000 1.081 89 I CA 0.941 62.241 61.300 0.001 0.000 1.353 89 I CB -0.292 37.703 38.000 -0.008 0.000 1.054 89 I HN 0.052 nan 8.210 nan 0.000 0.407 90 A N 0.816 123.613 122.820 -0.039 0.000 1.933 90 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 90 A C 2.260 179.822 177.584 -0.035 0.000 1.175 90 A CA 1.478 53.481 52.037 -0.057 0.000 0.628 90 A CB -0.741 18.241 19.000 -0.031 0.000 0.814 90 A HN 0.400 nan 8.150 nan 0.000 0.444 91 I N -0.695 119.880 120.570 0.008 0.000 2.333 91 I HA -0.109 4.061 4.170 -0.000 0.000 0.246 91 I C 2.668 178.826 176.117 0.068 0.000 1.106 91 I CA 0.977 62.303 61.300 0.043 0.000 1.411 91 I CB -0.527 37.511 38.000 0.063 0.000 1.082 91 I HN 0.378 nan 8.210 nan 0.000 0.420 92 G N 0.838 109.679 108.800 0.069 0.000 2.432 92 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 92 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 92 G C 1.746 176.651 174.900 0.009 0.000 1.135 92 G CA 0.507 45.659 45.100 0.086 0.000 0.767 92 G HN 0.306 nan 8.290 nan 0.000 0.550 93 K N 0.101 120.435 120.400 -0.110 0.000 2.116 93 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 93 K C 1.989 178.531 176.600 -0.097 0.000 1.052 93 K CA 0.967 57.081 56.287 -0.289 0.000 0.952 93 K CB -0.014 32.078 32.500 -0.680 0.000 0.729 93 K HN 0.070 nan 8.250 nan 0.000 0.446 94 D N 1.252 121.629 120.400 -0.039 0.000 2.144 94 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 94 D C 1.906 178.276 176.300 0.116 0.000 0.984 94 D CA 0.908 54.926 54.000 0.030 0.000 0.834 94 D CB -0.022 40.798 40.800 0.033 0.000 0.955 94 D HN 0.107 nan 8.370 nan 0.000 0.465 95 L N 0.506 121.834 121.223 0.175 0.000 2.056 95 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 95 L C 2.502 179.525 176.870 0.255 0.000 1.078 95 L CA 1.004 56.050 54.840 0.342 0.000 0.749 95 L CB -0.310 41.995 42.059 0.410 0.000 0.901 95 L HN -0.027 nan 8.230 nan 0.000 0.433 96 A N -0.226 122.669 122.820 0.124 0.000 1.898 96 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 96 A C 1.907 179.412 177.584 -0.132 0.000 1.181 96 A CA 1.884 53.837 52.037 -0.140 0.000 0.620 96 A CB -0.503 18.471 19.000 -0.043 0.000 0.819 96 A HN 0.326 nan 8.150 nan 0.000 0.442 97 D N 0.184 120.608 120.400 0.041 0.000 2.092 97 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 97 D C 2.271 178.548 176.300 -0.039 0.000 0.994 97 D CA 1.775 55.791 54.000 0.027 0.000 0.828 97 D CB -0.522 40.325 40.800 0.079 0.000 0.963 97 D HN 0.402 nan 8.370 nan 0.000 0.450 98 A N 0.898 123.723 122.820 0.009 0.000 1.933 98 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 98 A C 2.303 179.763 177.584 -0.207 0.000 1.175 98 A CA 2.388 54.447 52.037 0.036 0.000 0.628 98 A CB -0.745 18.423 19.000 0.279 0.000 0.814 98 A HN 0.247 nan 8.150 nan 0.000 0.444 99 A N -0.224 122.232 122.820 -0.607 0.000 1.902 99 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 99 A C 2.160 179.484 177.584 -0.434 0.000 1.181 99 A CA 2.040 53.477 52.037 -1.000 0.000 0.623 99 A CB -0.437 17.984 19.000 -0.964 0.000 0.818 99 A HN 0.563 nan 8.150 nan 0.000 0.443 100 K N -0.558 119.659 120.400 -0.306 0.000 2.103 100 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 100 K C 2.282 178.812 176.600 -0.116 0.000 1.052 100 K CA 1.195 57.369 56.287 -0.188 0.000 0.945 100 K CB -0.185 32.211 32.500 -0.173 0.000 0.722 100 K HN 0.401 nan 8.250 nan 0.000 0.443 101 R N 0.163 120.604 120.500 -0.098 0.000 2.152 101 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 101 R C 1.919 178.201 176.300 -0.029 0.000 1.117 101 R CA 1.290 57.363 56.100 -0.045 0.000 0.981 101 R CB -0.177 30.113 30.300 -0.018 0.000 0.870 101 R HN 0.277 nan 8.270 nan 0.000 0.451 102 A N -0.306 122.486 122.820 -0.047 0.000 1.968 102 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 102 A C 1.820 179.403 177.584 -0.003 0.000 1.169 102 A CA 1.162 53.197 52.037 -0.003 0.000 0.638 102 A CB -0.567 18.446 19.000 0.021 0.000 0.812 102 A HN 0.561 nan 8.150 nan 0.000 0.446 103 G N -1.586 107.197 108.800 -0.028 0.000 2.189 103 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.267 103 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.267 103 G C 0.923 175.839 174.900 0.026 0.000 0.975 103 G CA 1.811 46.907 45.100 -0.007 0.000 0.644 103 G HN 1.401 nan 8.290 nan 0.000 0.537 104 T N -1.891 112.690 114.554 0.046 0.000 3.054 104 T HA 0.523 4.873 4.350 -0.000 0.000 0.255 104 T C 0.895 175.677 174.700 0.137 0.000 1.035 104 T CA -0.203 61.962 62.100 0.107 0.000 0.941 104 T CB 0.562 69.508 68.868 0.130 0.000 1.026 104 T HN 0.230 nan 8.240 nan 0.000 0.533 105 I N 3.335 123.957 120.570 0.087 0.000 2.505 105 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 105 I C 0.983 177.186 176.117 0.144 0.000 1.104 105 I CA 0.352 61.730 61.300 0.129 0.000 1.387 105 I CB 0.429 38.482 38.000 0.089 0.000 1.404 105 I HN 0.420 nan 8.210 nan 0.000 0.528 106 Q N 4.941 124.857 119.800 0.194 0.000 2.282 106 Q HA 0.197 4.537 4.340 -0.000 0.000 0.206 106 Q C 0.011 176.169 176.000 0.264 0.000 0.878 106 Q CA 0.255 56.163 55.803 0.176 0.000 0.944 106 Q CB 0.560 29.390 28.738 0.154 0.000 1.100 106 Q HN 0.655 nan 8.270 nan 0.000 0.509 107 H N -0.512 118.685 119.070 0.212 0.000 3.273 107 H HA 0.098 4.654 4.556 -0.000 0.000 0.312 107 H C -2.149 173.394 175.328 0.359 0.000 1.301 107 H CA -0.709 55.503 56.048 0.274 0.000 1.578 107 H CB 0.705 30.674 29.762 0.345 0.000 2.161 107 H HN 0.145 nan 8.280 nan 0.000 0.399 108 Y N 7.067 127.566 120.300 0.332 0.000 2.491 108 Y HA 0.369 4.919 4.550 -0.000 0.000 0.334 108 Y C -0.771 175.181 175.900 0.087 0.000 0.969 108 Y CA -0.658 57.556 58.100 0.190 0.000 1.241 108 Y CB 0.268 38.788 38.460 0.100 0.000 1.105 108 Y HN 0.491 nan 8.280 nan 0.000 0.503 109 I N 7.414 127.954 120.570 -0.050 0.000 2.322 109 I HA 0.049 4.219 4.170 -0.000 0.000 0.292 109 I C -0.904 175.113 176.117 -0.168 0.000 1.060 109 I CA -0.459 60.760 61.300 -0.136 0.000 1.309 109 I CB 0.195 38.074 38.000 -0.202 0.000 1.415 109 I HN 0.534 nan 8.210 nan 0.000 0.492 110 Y N 6.296 126.485 120.300 -0.185 0.000 2.328 110 Y HA 0.297 4.847 4.550 -0.000 0.000 0.337 110 Y C 0.386 176.294 175.900 0.013 0.000 1.008 110 Y CA -0.502 57.559 58.100 -0.065 0.000 1.129 110 Y CB 1.626 40.263 38.460 0.295 0.000 1.185 110 Y HN 0.476 nan 8.280 nan 0.000 0.476 111 S N 4.720 119.984 115.700 -0.727 0.000 2.448 111 S HA 0.408 4.878 4.470 -0.000 0.000 0.279 111 S C -0.256 173.982 174.600 -0.602 0.000 1.195 111 S CA -0.216 57.713 58.200 -0.450 0.000 1.051 111 S CB -0.033 62.958 63.200 -0.348 0.000 0.948 111 S HN 0.754 nan 8.310 nan 0.000 0.493 112 S N 4.323 119.809 115.700 -0.357 0.000 2.739 112 S HA 0.862 5.332 4.470 -0.000 0.000 0.306 112 S C -1.041 173.184 174.600 -0.625 0.000 1.115 112 S CA -0.723 57.259 58.200 -0.364 0.000 0.985 112 S CB 0.719 63.808 63.200 -0.186 0.000 1.133 112 S HN 0.732 nan 8.310 nan 0.000 0.541 113 M N 1.745 121.132 119.600 -0.355 0.000 2.520 113 M HA 0.474 4.954 4.480 -0.000 0.000 0.283 113 M C -2.838 173.558 176.300 0.161 0.000 1.237 113 M CA -2.102 53.088 55.300 -0.183 0.000 0.885 113 M CB 1.430 33.935 32.600 -0.159 0.000 1.727 113 M HN 0.333 nan 8.290 nan 0.000 0.468 114 P HA 0.174 nan 4.420 nan 0.000 0.274 114 P C -0.835 176.601 177.300 0.227 0.000 1.237 114 P CA -0.071 63.146 63.100 0.194 0.000 0.793 114 P CB 0.559 32.279 31.700 0.034 0.000 0.977 115 D N 0.203 120.664 120.400 0.101 0.000 2.460 115 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 115 D C 0.522 176.958 176.300 0.226 0.000 1.079 115 D CA -0.290 53.820 54.000 0.184 0.000 0.864 115 D CB 0.049 40.903 40.800 0.090 0.000 1.048 115 D HN 0.299 nan 8.370 nan 0.000 0.523 116 H N 0.925 120.181 119.070 0.311 0.000 2.489 116 H HA -0.120 4.436 4.556 -0.000 0.000 0.295 116 H C 2.070 177.593 175.328 0.326 0.000 1.082 116 H CA 1.802 58.116 56.048 0.443 0.000 1.295 116 H CB 0.335 30.293 29.762 0.327 0.000 1.380 116 H HN 0.379 nan 8.280 nan 0.000 0.548 117 S N 0.022 115.845 115.700 0.205 0.000 2.507 117 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 117 S C 1.551 176.057 174.600 -0.157 0.000 0.988 117 S CA 0.624 58.838 58.200 0.024 0.000 0.944 117 S CB -0.277 62.928 63.200 0.009 0.000 0.762 117 S HN 0.380 nan 8.310 nan 0.000 0.526 118 L N -0.732 120.305 121.223 -0.311 0.000 2.611 118 L HA 0.310 4.650 4.340 -0.000 0.000 0.229 118 L C 0.690 176.956 176.870 -1.008 0.000 1.137 118 L CA 0.252 54.691 54.840 -0.668 0.000 0.901 118 L CB -0.265 41.287 42.059 -0.845 0.000 1.098 118 L HN 0.304 nan 8.230 nan 0.000 0.456 119 Y N -1.008 119.175 120.300 -0.195 0.000 2.476 119 Y HA 0.504 5.054 4.550 -0.000 0.000 0.261 119 Y C 1.083 176.555 175.900 -0.714 0.000 1.077 119 Y CA -0.342 57.594 58.100 -0.273 0.000 1.240 119 Y CB 0.961 39.395 38.460 -0.043 0.000 1.317 119 Y HN -0.022 nan 8.280 nan 0.000 0.540 120 G N -0.061 108.202 108.800 -0.894 0.000 2.554 120 G HA2 0.291 4.251 3.960 -0.000 0.000 0.306 120 G HA3 0.291 4.251 3.960 -0.000 0.000 0.306 120 G C -2.438 171.904 174.900 -0.929 0.000 1.320 120 G CA -0.893 43.344 45.100 -1.440 0.000 0.800 120 G HN -0.322 nan 8.290 nan 0.000 0.481 121 P HA 0.098 nan 4.420 nan 0.000 0.249 121 P C -0.219 176.943 177.300 -0.230 0.000 1.241 121 P CA -0.044 62.856 63.100 -0.334 0.000 0.781 121 P CB 0.103 31.713 31.700 -0.150 0.000 1.088 122 W N 2.859 124.027 121.300 -0.220 0.000 2.137 122 W HA 0.208 4.868 4.660 -0.000 0.000 0.344 122 W C -1.770 174.647 176.519 -0.170 0.000 1.286 122 W CA -2.435 54.720 57.345 -0.317 0.000 1.240 122 W CB -1.133 28.198 29.460 -0.214 0.000 1.141 122 W HN 0.043 nan 8.180 nan 0.000 0.579 123 P HA 0.371 nan 4.420 nan 0.000 0.278 123 P C -0.997 176.341 177.300 0.064 0.000 1.266 123 P CA -0.457 62.654 63.100 0.020 0.000 0.807 123 P CB 0.968 32.647 31.700 -0.034 0.000 1.094 124 A N 1.326 124.179 122.820 0.055 0.000 2.279 124 A HA 0.325 4.645 4.320 -0.000 0.000 0.306 124 A C 0.218 177.827 177.584 0.042 0.000 1.300 124 A CA -0.594 51.504 52.037 0.101 0.000 0.925 124 A CB -0.543 18.515 19.000 0.097 0.000 1.152 124 A HN 0.322 nan 8.150 nan 0.000 0.544 125 V N 6.699 126.635 119.914 0.037 0.000 2.420 125 V HA 0.019 4.139 4.120 -0.000 0.000 0.274 125 V C -0.795 175.263 176.094 -0.060 0.000 1.003 125 V CA -0.289 61.917 62.300 -0.156 0.000 1.092 125 V CB 0.364 31.943 31.823 -0.407 0.000 1.002 125 V HN 0.888 nan 8.190 nan 0.000 0.473 126 P HA -0.198 nan 4.420 nan 0.000 0.221 126 P C 0.937 178.257 177.300 0.034 0.000 1.141 126 P CA 1.584 64.680 63.100 -0.006 0.000 0.794 126 P CB 0.244 31.928 31.700 -0.026 0.000 0.764 127 M N -3.991 115.601 119.600 -0.013 0.000 2.405 127 M HA 0.163 4.643 4.480 -0.000 0.000 0.292 127 M C 0.753 177.285 176.300 0.386 0.000 1.111 127 M CA -0.005 55.363 55.300 0.113 0.000 0.979 127 M CB 0.343 32.980 32.600 0.062 0.000 1.426 127 M HN -0.065 nan 8.290 nan 0.000 0.509 128 W N -0.458 120.906 121.300 0.107 0.000 3.772 128 W HA 0.410 5.070 4.660 -0.000 0.000 0.224 128 W C 2.334 178.951 176.519 0.163 0.000 1.009 128 W CA 0.410 57.830 57.345 0.126 0.000 1.889 128 W CB -1.219 28.322 29.460 0.136 0.000 0.909 128 W HN 0.106 nan 8.180 nan 0.000 0.794 129 A N 1.554 124.619 122.820 0.408 0.000 1.903 129 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 129 A C -0.137 177.625 177.584 0.296 0.000 1.191 129 A CA 2.498 54.728 52.037 0.321 0.000 0.638 129 A CB -2.027 17.114 19.000 0.234 0.000 0.823 129 A HN 0.134 nan 8.150 nan 0.000 0.451 130 P HA -0.195 nan 4.420 nan 0.000 0.217 130 P C 1.164 178.601 177.300 0.229 0.000 1.151 130 P CA 1.735 64.951 63.100 0.195 0.000 0.849 130 P CB -0.093 31.703 31.700 0.159 0.000 0.787 131 K N -1.874 118.699 120.400 0.288 0.000 2.097 131 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 131 K C 1.986 178.798 176.600 0.353 0.000 1.049 131 K CA 1.183 57.690 56.287 0.366 0.000 0.933 131 K CB -0.734 31.939 32.500 0.289 0.000 0.717 131 K HN 0.102 nan 8.250 nan 0.000 0.442 132 F N 2.225 122.278 119.950 0.172 0.000 2.216 132 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 132 F C 2.153 177.997 175.800 0.073 0.000 1.085 132 F CA 1.423 59.500 58.000 0.128 0.000 1.326 132 F CB -0.378 38.718 39.000 0.160 0.000 1.027 132 F HN -0.066 nan 8.300 nan 0.000 0.497 133 T N -0.343 114.260 114.554 0.082 0.000 2.737 133 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 133 T C 2.203 176.851 174.700 -0.086 0.000 1.038 133 T CA 1.597 63.682 62.100 -0.025 0.000 1.144 133 T CB -0.546 68.353 68.868 0.051 0.000 0.866 133 T HN 0.085 nan 8.240 nan 0.000 0.434 134 V N 1.557 121.436 119.914 -0.059 0.000 2.490 134 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 134 V C 2.460 178.395 176.094 -0.265 0.000 1.061 134 V CA 1.754 63.958 62.300 -0.160 0.000 1.064 134 V CB -0.608 31.051 31.823 -0.274 0.000 0.670 134 V HN 0.568 nan 8.190 nan 0.000 0.461 135 E N 0.881 120.915 120.200 -0.276 0.000 2.051 135 E HA -0.314 4.036 4.350 -0.000 0.000 0.192 135 E C 2.093 178.429 176.600 -0.441 0.000 0.991 135 E CA 1.822 57.978 56.400 -0.405 0.000 0.799 135 E CB -0.184 29.156 29.700 -0.601 0.000 0.748 135 E HN 0.661 nan 8.360 nan 0.000 0.449 136 N N -0.580 117.864 118.700 -0.428 0.000 2.120 136 N HA -0.233 4.507 4.740 -0.000 0.000 0.188 136 N C 1.739 177.156 175.510 -0.155 0.000 1.024 136 N CA 1.449 54.311 53.050 -0.313 0.000 0.852 136 N CB -0.376 37.939 38.487 -0.286 0.000 1.003 136 N HN 0.270 nan 8.380 nan 0.000 0.424 137 Y N 0.131 120.310 120.300 -0.200 0.000 2.293 137 Y HA -0.063 4.487 4.550 -0.000 0.000 0.291 137 Y C 1.983 177.801 175.900 -0.136 0.000 1.137 137 Y CA 1.085 59.096 58.100 -0.148 0.000 1.202 137 Y CB -0.212 38.164 38.460 -0.140 0.000 0.990 137 Y HN -0.046 nan 8.280 nan 0.000 0.537 138 V N 0.561 120.417 119.914 -0.096 0.000 2.270 138 V HA -0.314 3.806 4.120 -0.000 0.000 0.245 138 V C 2.342 178.376 176.094 -0.100 0.000 1.043 138 V CA 2.276 64.513 62.300 -0.106 0.000 1.014 138 V CB -0.646 31.260 31.823 0.137 0.000 0.645 138 V HN 0.303 nan 8.190 nan 0.000 0.447 139 R N -0.125 120.373 120.500 -0.004 0.000 2.103 139 R HA -0.267 4.073 4.340 -0.000 0.000 0.242 139 R C 2.437 178.672 176.300 -0.108 0.000 1.142 139 R CA 1.994 58.096 56.100 0.003 0.000 0.960 139 R CB -0.439 29.840 30.300 -0.036 0.000 0.858 139 R HN 0.615 nan 8.270 nan 0.000 0.439 140 Q N 0.890 120.565 119.800 -0.207 0.000 2.170 140 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 140 Q C 1.847 177.672 176.000 -0.292 0.000 0.976 140 Q CA 1.134 56.788 55.803 -0.249 0.000 0.858 140 Q CB 0.086 28.637 28.738 -0.311 0.000 0.907 140 Q HN 0.404 nan 8.270 nan 0.000 0.433 141 L N -1.166 119.828 121.223 -0.382 0.000 2.418 141 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 141 L C 1.384 178.136 176.870 -0.196 0.000 1.125 141 L CA 0.635 55.278 54.840 -0.328 0.000 0.835 141 L CB -0.039 41.781 42.059 -0.398 0.000 0.953 141 L HN 0.558 nan 8.230 nan 0.000 0.454 142 G N 0.415 109.124 108.800 -0.150 0.000 2.157 142 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 142 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 142 G C 0.251 175.106 174.900 -0.075 0.000 0.979 142 G CA -0.322 44.724 45.100 -0.089 0.000 0.650 142 G HN 0.198 nan 8.290 nan 0.000 0.529 143 L N 2.293 123.449 121.223 -0.112 0.000 2.490 143 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 143 L C -1.141 175.727 176.870 -0.004 0.000 1.201 143 L CA -1.304 53.476 54.840 -0.099 0.000 0.869 143 L CB 0.357 42.272 42.059 -0.241 0.000 1.123 143 L HN 0.037 nan 8.230 nan 0.000 0.484 144 P HA 0.063 nan 4.420 nan 0.000 0.269 144 P C -0.878 176.508 177.300 0.143 0.000 1.263 144 P CA -0.097 63.038 63.100 0.058 0.000 0.813 144 P CB 0.722 32.444 31.700 0.038 0.000 0.868 145 S N 2.440 118.212 115.700 0.120 0.000 2.740 145 S HA 0.858 5.328 4.470 -0.000 0.000 0.300 145 S C -0.529 174.069 174.600 -0.004 0.000 1.147 145 S CA -0.635 57.623 58.200 0.096 0.000 0.871 145 S CB 1.668 64.838 63.200 -0.050 0.000 1.173 145 S HN 0.332 nan 8.310 nan 0.000 0.510 146 T N 1.138 115.534 114.554 -0.265 0.000 3.041 146 T HA 0.554 4.904 4.350 -0.000 0.000 0.321 146 T C -1.830 172.534 174.700 -0.559 0.000 1.184 146 T CA -0.405 61.577 62.100 -0.197 0.000 1.050 146 T CB 0.632 69.580 68.868 0.134 0.000 1.159 146 T HN 0.480 nan 8.240 nan 0.000 0.469 147 F N 2.119 122.237 119.950 0.280 0.000 2.467 147 F HA 0.623 5.150 4.527 -0.000 0.000 0.336 147 F C 0.306 176.277 175.800 0.285 0.000 1.123 147 F CA -1.129 57.049 58.000 0.298 0.000 0.964 147 F CB 1.561 40.807 39.000 0.410 0.000 1.136 147 F HN 0.376 nan 8.300 nan 0.000 0.447 148 V N 0.647 120.732 119.914 0.286 0.000 2.513 148 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 148 V C -1.481 174.747 176.094 0.223 0.000 1.035 148 V CA -0.912 61.514 62.300 0.210 0.000 0.889 148 V CB 1.337 33.194 31.823 0.057 0.000 0.988 148 V HN 0.566 nan 8.190 nan 0.000 0.440 149 Y N 3.237 123.489 120.300 -0.082 0.000 2.402 149 Y HA 0.767 5.317 4.550 -0.000 0.000 0.332 149 Y C 0.742 176.616 175.900 -0.043 0.000 0.960 149 Y CA -0.492 57.544 58.100 -0.107 0.000 1.228 149 Y CB 1.407 39.596 38.460 -0.452 0.000 1.120 149 Y HN 1.048 nan 8.280 nan 0.000 0.491 150 A N 2.509 125.441 122.820 0.185 0.000 2.388 150 A HA 0.625 4.945 4.320 -0.000 0.000 0.257 150 A C 0.848 178.552 177.584 0.200 0.000 1.095 150 A CA 0.214 52.366 52.037 0.193 0.000 0.791 150 A CB 0.044 19.172 19.000 0.213 0.000 1.029 150 A HN 0.850 nan 8.150 nan 0.000 0.489 151 G N 0.380 109.221 108.800 0.070 0.000 2.557 151 G HA2 0.491 4.451 3.960 -0.000 0.000 0.292 151 G HA3 0.491 4.451 3.960 -0.000 0.000 0.292 151 G C 0.030 174.669 174.900 -0.436 0.000 1.237 151 G CA -0.949 43.959 45.100 -0.320 0.000 0.978 151 G HN 0.769 nan 8.290 nan 0.000 0.498 152 I N 0.425 120.491 120.570 -0.840 0.000 2.683 152 I HA -0.012 4.158 4.170 -0.000 0.000 0.286 152 I C -0.289 175.659 176.117 -0.282 0.000 1.175 152 I CA -0.307 60.537 61.300 -0.759 0.000 1.429 152 I CB 0.219 37.430 38.000 -1.315 0.000 1.371 152 I HN 0.217 nan 8.210 nan 0.000 0.569 153 Y N 5.667 125.800 120.300 -0.277 0.000 2.511 153 Y HA 0.027 4.577 4.550 -0.000 0.000 0.332 153 Y C 1.426 177.189 175.900 -0.229 0.000 1.177 153 Y CA -0.550 57.436 58.100 -0.190 0.000 1.422 153 Y CB -0.172 38.176 38.460 -0.185 0.000 1.271 153 Y HN 0.502 nan 8.280 nan 0.000 0.550 154 N N 2.108 120.768 118.700 -0.066 0.000 2.166 154 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 154 N C 1.089 176.188 175.510 -0.685 0.000 1.019 154 N CA 1.593 54.385 53.050 -0.431 0.000 0.856 154 N CB -0.394 37.660 38.487 -0.723 0.000 0.993 154 N HN 0.790 nan 8.380 nan 0.000 0.426 155 N N -0.017 118.409 118.700 -0.457 0.000 2.501 155 N HA 0.037 4.777 4.740 -0.000 0.000 0.195 155 N C 0.657 176.213 175.510 0.075 0.000 1.213 155 N CA 0.177 53.173 53.050 -0.091 0.000 0.864 155 N CB 0.008 38.541 38.487 0.077 0.000 0.999 155 N HN 0.011 nan 8.380 nan 0.000 0.454 156 N N 0.129 118.759 118.700 -0.117 0.000 2.331 156 N HA -0.022 4.718 4.740 -0.000 0.000 0.180 156 N C -0.505 175.061 175.510 0.094 0.000 1.019 156 N CA 0.393 53.390 53.050 -0.089 0.000 0.881 156 N CB -0.210 37.976 38.487 -0.503 0.000 0.972 156 N HN 0.210 nan 8.380 nan 0.000 0.435 157 F N 0.841 120.896 119.950 0.174 0.000 2.572 157 F HA 0.163 4.690 4.527 -0.000 0.000 0.370 157 F C 1.325 177.459 175.800 0.556 0.000 1.103 157 F CA 0.254 58.441 58.000 0.311 0.000 1.286 157 F CB 0.455 39.588 39.000 0.222 0.000 1.105 157 F HN -0.257 nan 8.300 nan 0.000 0.583 158 T N 0.173 115.188 114.554 0.769 0.000 2.893 158 T HA 0.289 4.639 4.350 -0.000 0.000 0.337 158 T C 0.441 175.424 174.700 0.471 0.000 1.587 158 T CA -0.091 62.343 62.100 0.556 0.000 1.066 158 T CB 0.847 69.982 68.868 0.445 0.000 1.414 158 T HN 0.588 nan 8.240 nan 0.000 0.488 159 S N 2.801 118.713 115.700 0.353 0.000 2.470 159 S HA 0.256 4.726 4.470 -0.000 0.000 0.225 159 S C 1.051 175.762 174.600 0.185 0.000 1.006 159 S CA -0.145 58.243 58.200 0.313 0.000 0.934 159 S CB -0.671 62.715 63.200 0.310 0.000 0.778 159 S HN 0.659 nan 8.310 nan 0.000 0.517 160 L N 2.743 124.044 121.223 0.131 0.000 2.516 160 L HA 0.149 4.489 4.340 -0.000 0.000 0.288 160 L C -1.619 175.205 176.870 -0.078 0.000 1.246 160 L CA -1.232 53.581 54.840 -0.046 0.000 0.844 160 L CB -0.205 41.735 42.059 -0.198 0.000 1.106 160 L HN 0.112 nan 8.230 nan 0.000 0.509 161 P HA -0.041 nan 4.420 nan 0.000 0.261 161 P C -0.885 176.401 177.300 -0.024 0.000 1.650 161 P CA 0.233 63.287 63.100 -0.077 0.000 0.846 161 P CB -0.295 31.362 31.700 -0.072 0.000 1.758 162 Y N 0.923 121.331 120.300 0.181 0.000 2.320 162 Y HA 0.363 4.913 4.550 0.000 0.000 0.324 162 Y C -1.552 174.475 175.900 0.212 0.000 1.190 162 Y CA -3.174 55.048 58.100 0.202 0.000 1.215 162 Y CB -0.522 38.079 38.460 0.235 0.000 1.221 162 Y HN 0.041 nan 8.280 nan 0.000 0.486 163 P HA -0.042 nan 4.420 nan 0.000 0.266 163 P C 0.520 177.953 177.300 0.221 0.000 1.193 163 P CA 0.238 63.464 63.100 0.209 0.000 0.770 163 P CB 0.530 32.271 31.700 0.068 0.000 0.836 164 L N 2.011 123.282 121.223 0.079 0.000 5.036 164 L HA -0.266 4.074 4.340 -0.000 0.000 0.395 164 L C 0.123 176.955 176.870 -0.064 0.000 0.792 164 L CA 2.032 56.818 54.840 -0.092 0.000 2.205 164 L CB -1.695 40.225 42.059 -0.232 0.000 1.065 164 L HN 0.413 nan 8.230 nan 0.000 0.632 165 F N 0.806 121.030 119.950 0.456 0.000 2.679 165 F HA 0.450 4.977 4.527 -0.000 0.000 0.354 165 F C 0.844 176.874 175.800 0.383 0.000 1.423 165 F CA -0.256 57.967 58.000 0.372 0.000 1.141 165 F CB 0.249 39.201 39.000 -0.081 0.000 1.168 165 F HN 0.146 nan 8.300 nan 0.000 0.530 166 Q N 1.981 122.131 119.800 0.582 0.000 2.331 166 Q HA 0.349 4.689 4.340 -0.000 0.000 0.257 166 Q C -0.361 175.892 176.000 0.421 0.000 0.957 166 Q CA -0.784 55.291 55.803 0.454 0.000 0.923 166 Q CB 1.216 30.143 28.738 0.314 0.000 1.212 166 Q HN 0.331 nan 8.270 nan 0.000 0.443 167 M N 4.735 124.522 119.600 0.313 0.000 3.347 167 M HA 0.191 4.671 4.480 -0.000 0.000 0.260 167 M C -0.618 175.884 176.300 0.337 0.000 1.362 167 M CA -0.035 55.331 55.300 0.111 0.000 1.497 167 M CB 0.084 32.499 32.600 -0.309 0.000 1.080 167 M HN 0.556 nan 8.290 nan 0.000 0.592 168 E N 1.634 121.995 120.200 0.268 0.000 2.392 168 E HA 0.087 4.437 4.350 -0.000 0.000 0.264 168 E C -1.124 175.535 176.600 0.097 0.000 1.024 168 E CA -0.355 56.149 56.400 0.172 0.000 0.903 168 E CB 0.716 30.428 29.700 0.020 0.000 0.963 168 E HN 0.595 nan 8.360 nan 0.000 0.432 169 L N 6.219 127.367 121.223 -0.126 0.000 2.268 169 L HA 0.212 4.552 4.340 -0.000 0.000 0.289 169 L C -0.471 176.201 176.870 -0.330 0.000 1.064 169 L CA -0.229 54.275 54.840 -0.559 0.000 0.824 169 L CB 0.565 42.295 42.059 -0.548 0.000 1.202 169 L HN 0.599 nan 8.230 nan 0.000 0.433 170 M N 5.819 125.226 119.600 -0.321 0.000 2.167 170 M HA 0.219 4.699 4.480 -0.000 0.000 0.300 170 M C -1.145 175.056 176.300 -0.164 0.000 1.171 170 M CA -1.671 53.521 55.300 -0.180 0.000 1.171 170 M CB -0.494 32.027 32.600 -0.131 0.000 1.396 170 M HN 0.309 nan 8.290 nan 0.000 0.466 171 P HA -0.150 nan 4.420 nan 0.000 0.215 171 P C 0.395 177.650 177.300 -0.075 0.000 1.157 171 P CA 1.310 64.365 63.100 -0.074 0.000 0.868 171 P CB -0.114 31.558 31.700 -0.046 0.000 0.788 172 D N -0.936 119.422 120.400 -0.071 0.000 2.396 172 D HA 0.009 4.649 4.640 -0.000 0.000 0.255 172 D C 1.215 177.468 176.300 -0.078 0.000 1.224 172 D CA 0.702 54.668 54.000 -0.057 0.000 0.894 172 D CB -1.256 39.521 40.800 -0.039 0.000 0.939 172 D HN 0.257 nan 8.370 nan 0.000 0.506 173 G N 0.737 109.461 108.800 -0.126 0.000 2.175 173 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 173 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 173 G C 0.543 175.292 174.900 -0.251 0.000 0.979 173 G CA 0.958 45.957 45.100 -0.169 0.000 0.663 173 G HN 0.740 nan 8.290 nan 0.000 0.533 174 T N -1.935 112.482 114.554 -0.228 0.000 2.902 174 T HA 0.733 5.083 4.350 -0.000 0.000 0.280 174 T C -0.225 174.277 174.700 -0.330 0.000 0.992 174 T CA -0.745 61.252 62.100 -0.172 0.000 1.015 174 T CB 1.980 70.818 68.868 -0.050 0.000 1.044 174 T HN 0.253 nan 8.240 nan 0.000 0.520 175 F N 0.059 119.967 119.950 -0.069 0.000 2.508 175 F HA 0.604 5.131 4.527 0.000 0.000 0.325 175 F C 0.570 176.351 175.800 -0.032 0.000 1.090 175 F CA -0.800 57.148 58.000 -0.087 0.000 0.945 175 F CB 2.175 41.093 39.000 -0.136 0.000 1.156 175 F HN 0.665 nan 8.300 nan 0.000 0.463 176 E N 1.818 122.130 120.200 0.186 0.000 2.275 176 E HA 0.205 4.555 4.350 -0.000 0.000 0.270 176 E C -2.017 174.708 176.600 0.209 0.000 0.882 176 E CA -0.812 55.686 56.400 0.163 0.000 0.758 176 E CB 2.005 31.764 29.700 0.097 0.000 1.195 176 E HN 0.554 nan 8.360 nan 0.000 0.419 177 W N 4.777 126.129 121.300 0.088 0.000 2.411 177 W HA 0.338 4.998 4.660 -0.000 0.000 0.317 177 W C -1.251 175.377 176.519 0.182 0.000 1.030 177 W CA -0.607 56.818 57.345 0.133 0.000 1.239 177 W CB 0.551 30.125 29.460 0.189 0.000 1.304 177 W HN 0.543 nan 8.180 nan 0.000 0.437 178 H N 5.151 124.072 119.070 -0.247 0.000 2.597 178 H HA 0.705 5.261 4.556 -0.000 0.000 0.303 178 H C -0.180 174.784 175.328 -0.607 0.000 1.057 178 H CA -0.645 55.105 56.048 -0.496 0.000 1.261 178 H CB 0.996 30.619 29.762 -0.231 0.000 1.397 178 H HN 0.486 nan 8.280 nan 0.000 0.461 179 A N 4.346 126.727 122.820 -0.731 0.000 2.566 179 A HA 0.402 4.722 4.320 -0.000 0.000 0.292 179 A C -2.318 175.023 177.584 -0.405 0.000 1.112 179 A CA -1.696 50.033 52.037 -0.513 0.000 0.707 179 A CB 1.604 20.333 19.000 -0.452 0.000 1.302 179 A HN 0.387 nan 8.150 nan 0.000 0.409 180 P HA 0.057 nan 4.420 nan 0.000 0.222 180 P C -0.011 177.172 177.300 -0.195 0.000 1.153 180 P CA 0.472 63.367 63.100 -0.341 0.000 0.798 180 P CB -0.091 31.372 31.700 -0.395 0.000 0.796 181 F N 0.975 120.934 119.950 0.015 0.000 2.642 181 F HA -0.073 4.454 4.527 -0.000 0.000 0.371 181 F C 1.444 177.310 175.800 0.110 0.000 1.120 181 F CA -0.084 57.953 58.000 0.061 0.000 1.331 181 F CB -0.640 38.365 39.000 0.009 0.000 1.044 181 F HN -0.054 nan 8.300 nan 0.000 0.594 182 D N 5.199 125.767 120.400 0.280 0.000 2.425 182 D HA -0.002 4.638 4.640 -0.000 0.000 0.247 182 D C -1.400 174.998 176.300 0.163 0.000 1.147 182 D CA -1.462 52.650 54.000 0.186 0.000 0.879 182 D CB 1.333 42.214 40.800 0.134 0.000 1.179 182 D HN 0.200 nan 8.370 nan 0.000 0.456 183 P HA -0.081 nan 4.420 nan 0.000 0.225 183 P C 0.150 177.451 177.300 0.002 0.000 1.148 183 P CA 0.910 64.053 63.100 0.071 0.000 0.779 183 P CB 0.528 32.401 31.700 0.290 0.000 0.780 184 D N -0.712 119.717 120.400 0.048 0.000 2.417 184 D HA 0.148 4.788 4.640 -0.000 0.000 0.207 184 D C 0.966 177.294 176.300 0.046 0.000 1.075 184 D CA -0.031 53.995 54.000 0.043 0.000 0.851 184 D CB 0.618 41.449 40.800 0.051 0.000 0.976 184 D HN 0.266 nan 8.370 nan 0.000 0.505 185 I N 4.806 125.409 120.570 0.055 0.000 2.421 185 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 185 I C -2.076 174.065 176.117 0.040 0.000 1.089 185 I CA -1.549 59.787 61.300 0.059 0.000 1.354 185 I CB 0.664 38.715 38.000 0.084 0.000 1.413 185 I HN -0.332 nan 8.210 nan 0.000 0.513 186 P HA 0.121 nan 4.420 nan 0.000 0.267 186 P C -0.872 176.413 177.300 -0.025 0.000 1.205 186 P CA 0.274 63.398 63.100 0.041 0.000 0.765 186 P CB 0.865 32.593 31.700 0.048 0.000 0.828 187 L N 5.348 126.518 121.223 -0.088 0.000 2.319 187 L HA 0.530 4.870 4.340 -0.000 0.000 0.267 187 L C -2.183 174.387 176.870 -0.501 0.000 1.011 187 L CA -2.814 51.804 54.840 -0.371 0.000 0.818 187 L CB 2.560 44.227 42.059 -0.654 0.000 1.316 187 L HN 0.178 nan 8.230 nan 0.000 0.432 188 P HA 0.113 nan 4.420 nan 0.000 0.287 188 P C -1.533 175.301 177.300 -0.776 0.000 1.294 188 P CA -0.216 62.545 63.100 -0.564 0.000 0.776 188 P CB 0.367 31.773 31.700 -0.489 0.000 0.889 189 W N 4.278 125.430 121.300 -0.246 0.000 2.576 189 W HA 0.662 5.322 4.660 -0.000 0.000 0.360 189 W C -0.228 176.256 176.519 -0.059 0.000 1.109 189 W CA -0.636 56.592 57.345 -0.195 0.000 1.237 189 W CB 1.234 30.616 29.460 -0.130 0.000 1.369 189 W HN 0.186 nan 8.180 nan 0.000 0.609 190 L N 1.550 122.934 121.223 0.268 0.000 2.549 190 L HA 0.359 4.699 4.340 -0.000 0.000 0.259 190 L C -1.372 175.608 176.870 0.184 0.000 0.934 190 L CA -0.424 54.582 54.840 0.276 0.000 0.865 190 L CB 1.966 44.197 42.059 0.286 0.000 1.352 190 L HN 0.355 nan 8.230 nan 0.000 0.410 191 D N 3.751 124.207 120.400 0.093 0.000 2.479 191 D HA 0.377 5.017 4.640 -0.000 0.000 0.218 191 D C 1.000 177.276 176.300 -0.041 0.000 1.131 191 D CA 0.632 54.634 54.000 0.003 0.000 0.916 191 D CB 1.839 42.644 40.800 0.009 0.000 1.022 191 D HN 0.823 nan 8.370 nan 0.000 0.515 192 A N 3.792 126.505 122.820 -0.179 0.000 1.884 192 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 192 A C 1.926 179.384 177.584 -0.210 0.000 1.197 192 A CA 1.744 53.578 52.037 -0.339 0.000 0.637 192 A CB -0.355 18.102 19.000 -0.904 0.000 0.827 192 A HN 0.666 nan 8.150 nan 0.000 0.450 193 E N -2.030 118.086 120.200 -0.141 0.000 2.152 193 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 193 E C 2.007 178.584 176.600 -0.040 0.000 0.983 193 E CA 0.956 57.308 56.400 -0.079 0.000 0.818 193 E CB -0.207 29.479 29.700 -0.022 0.000 0.758 193 E HN 0.807 nan 8.360 nan 0.000 0.467 194 H N 0.030 119.055 119.070 -0.075 0.000 2.399 194 H HA 0.005 4.561 4.556 -0.000 0.000 0.300 194 H C 0.795 176.072 175.328 -0.085 0.000 1.048 194 H CA 1.400 57.424 56.048 -0.040 0.000 1.370 194 H CB 0.598 30.375 29.762 0.024 0.000 1.428 194 H HN 0.201 nan 8.280 nan 0.000 0.534 195 D N -0.133 120.287 120.400 0.034 0.000 2.449 195 D HA 0.041 4.681 4.640 -0.000 0.000 0.210 195 D C 2.163 178.338 176.300 -0.209 0.000 1.094 195 D CA 0.087 54.008 54.000 -0.131 0.000 0.846 195 D CB 0.831 41.447 40.800 -0.308 0.000 1.003 195 D HN 0.157 nan 8.370 nan 0.000 0.504 196 V N 1.485 121.298 119.914 -0.168 0.000 2.270 196 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 196 V C 2.635 178.542 176.094 -0.313 0.000 1.043 196 V CA 2.264 64.453 62.300 -0.185 0.000 1.014 196 V CB -0.934 30.768 31.823 -0.202 0.000 0.645 196 V HN 0.217 nan 8.190 nan 0.000 0.447 197 G N 0.647 109.244 108.800 -0.338 0.000 2.545 197 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 197 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 197 G C -0.176 174.477 174.900 -0.412 0.000 1.218 197 G CA 1.343 46.229 45.100 -0.356 0.000 0.787 197 G HN 0.495 nan 8.290 nan 0.000 0.571 198 P HA -0.131 nan 4.420 nan 0.000 0.216 198 P C 2.244 179.230 177.300 -0.524 0.000 1.157 198 P CA 2.316 64.907 63.100 -0.848 0.000 0.880 198 P CB -0.202 30.297 31.700 -2.003 0.000 0.791 199 A N -0.730 121.852 122.820 -0.397 0.000 1.877 199 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 199 A C 2.251 179.707 177.584 -0.214 0.000 1.186 199 A CA 1.559 53.532 52.037 -0.106 0.000 0.620 199 A CB -1.687 17.380 19.000 0.111 0.000 0.822 199 A HN 0.104 nan 8.150 nan 0.000 0.443 200 L N -0.671 120.360 121.223 -0.322 0.000 2.083 200 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 200 L C 2.603 179.274 176.870 -0.333 0.000 1.083 200 L CA 0.983 55.548 54.840 -0.458 0.000 0.752 200 L CB -0.574 41.131 42.059 -0.590 0.000 0.899 200 L HN 0.393 nan 8.230 nan 0.000 0.433 201 L N -0.611 120.521 121.223 -0.150 0.000 2.017 201 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 201 L C 2.727 179.634 176.870 0.061 0.000 1.073 201 L CA 1.210 56.065 54.840 0.024 0.000 0.745 201 L CB -0.391 41.648 42.059 -0.033 0.000 0.894 201 L HN 0.305 nan 8.230 nan 0.000 0.432 202 Q N 0.509 120.310 119.800 0.002 0.000 2.124 202 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 202 Q C 1.991 178.048 176.000 0.094 0.000 0.977 202 Q CA 1.758 57.611 55.803 0.084 0.000 0.850 202 Q CB -0.228 28.577 28.738 0.112 0.000 0.901 202 Q HN 0.494 nan 8.270 nan 0.000 0.429 203 I N -0.677 119.841 120.570 -0.087 0.000 2.202 203 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 203 I C 1.607 177.784 176.117 0.099 0.000 1.091 203 I CA 0.897 62.101 61.300 -0.159 0.000 1.368 203 I CB -0.367 37.311 38.000 -0.536 0.000 1.058 203 I HN 0.146 nan 8.210 nan 0.000 0.410 204 F N 1.319 121.273 119.950 0.007 0.000 2.134 204 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 204 F C 2.580 178.488 175.800 0.180 0.000 1.097 204 F CA 1.470 59.505 58.000 0.058 0.000 1.264 204 F CB -0.736 38.219 39.000 -0.075 0.000 1.001 204 F HN -0.034 nan 8.300 nan 0.000 0.479 205 K N 0.194 120.796 120.400 0.337 0.000 2.097 205 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 205 K C 1.617 178.367 176.600 0.250 0.000 1.049 205 K CA 1.765 58.206 56.287 0.258 0.000 0.933 205 K CB -0.159 32.462 32.500 0.202 0.000 0.717 205 K HN 0.088 nan 8.250 nan 0.000 0.442 206 D N -0.037 120.546 120.400 0.305 0.000 2.144 206 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 206 D C 0.900 177.348 176.300 0.247 0.000 0.978 206 D CA 1.336 55.512 54.000 0.294 0.000 0.833 206 D CB -0.208 40.898 40.800 0.511 0.000 0.961 206 D HN 0.489 nan 8.370 nan 0.000 0.470 207 G N 0.382 109.406 108.800 0.374 0.000 2.814 207 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.677 207 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.677 207 G C -1.927 172.940 174.900 -0.055 0.000 1.429 207 G CA -0.197 45.040 45.100 0.229 0.000 0.868 207 G HN -0.014 nan 8.290 nan 0.000 0.553 208 P HA -0.117 nan 4.420 nan 0.000 0.226 208 P C 1.700 178.902 177.300 -0.164 0.000 1.153 208 P CA 1.674 64.541 63.100 -0.388 0.000 0.777 208 P CB 0.006 31.493 31.700 -0.356 0.000 0.794 209 Q N 0.649 120.375 119.800 -0.124 0.000 2.368 209 Q HA -0.145 4.195 4.340 -0.000 0.000 0.210 209 Q C 1.761 177.648 176.000 -0.188 0.000 0.982 209 Q CA 1.389 57.126 55.803 -0.110 0.000 0.884 209 Q CB -0.532 28.161 28.738 -0.074 0.000 0.933 209 Q HN 0.356 nan 8.270 nan 0.000 0.460 210 K N -0.883 119.338 120.400 -0.299 0.000 2.424 210 K HA 0.076 4.396 4.320 -0.000 0.000 0.198 210 K C 0.750 176.776 176.600 -0.957 0.000 1.190 210 K CA 0.016 55.923 56.287 -0.633 0.000 0.935 210 K CB 0.374 32.395 32.500 -0.799 0.000 1.087 210 K HN 0.178 nan 8.250 nan 0.000 0.524 211 W N 1.657 122.820 121.300 -0.228 0.000 3.103 211 W HA 0.272 4.932 4.660 0.000 0.000 0.325 211 W C 0.193 176.704 176.519 -0.013 0.000 1.170 211 W CA -0.939 56.262 57.345 -0.240 0.000 1.712 211 W CB 0.274 29.712 29.460 -0.037 0.000 1.068 211 W HN -0.019 nan 8.180 nan 0.000 0.592 212 N N 1.187 119.966 118.700 0.132 0.000 2.301 212 N HA 0.091 4.831 4.740 -0.000 0.000 0.267 212 N C 1.197 176.892 175.510 0.309 0.000 1.304 212 N CA 1.976 55.118 53.050 0.153 0.000 0.851 212 N CB 0.543 39.059 38.487 0.048 0.000 1.070 212 N HN 0.322 nan 8.380 nan 0.000 0.483 213 G N 2.230 111.214 108.800 0.306 0.000 2.205 213 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.261 213 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.261 213 G C 0.150 175.312 174.900 0.437 0.000 0.980 213 G CA 0.337 45.657 45.100 0.367 0.000 0.632 213 G HN 0.798 nan 8.290 nan 0.000 0.533 214 H N 0.484 119.755 119.070 0.334 0.000 2.615 214 H HA 0.441 4.997 4.556 -0.000 0.000 0.363 214 H C 0.605 176.187 175.328 0.423 0.000 1.148 214 H CA 0.000 56.267 56.048 0.365 0.000 1.401 214 H CB 0.614 30.675 29.762 0.499 0.000 1.461 214 H HN 0.214 nan 8.280 nan 0.000 0.588 215 R N 2.144 122.903 120.500 0.432 0.000 2.445 215 R HA 0.474 4.814 4.340 -0.000 0.000 0.308 215 R C -0.589 175.922 176.300 0.352 0.000 0.961 215 R CA -0.552 55.798 56.100 0.418 0.000 0.862 215 R CB 1.360 31.759 30.300 0.166 0.000 1.144 215 R HN 0.456 nan 8.270 nan 0.000 0.447 216 I N 1.784 122.529 120.570 0.292 0.000 2.499 216 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 216 I C -0.172 175.869 176.117 -0.125 0.000 1.048 216 I CA -0.969 60.370 61.300 0.065 0.000 1.062 216 I CB 2.179 40.075 38.000 -0.173 0.000 1.238 216 I HN 0.628 nan 8.210 nan 0.000 0.426 217 A N 7.470 130.034 122.820 -0.428 0.000 2.376 217 A HA 0.388 4.708 4.320 -0.000 0.000 0.298 217 A C -0.054 177.236 177.584 -0.490 0.000 1.271 217 A CA -0.186 51.335 52.037 -0.861 0.000 0.926 217 A CB -0.032 18.212 19.000 -1.260 0.000 1.141 217 A HN 0.773 nan 8.150 nan 0.000 0.539 218 L N 3.788 124.825 121.223 -0.311 0.000 2.399 218 L HA 0.246 4.586 4.340 -0.000 0.000 0.257 218 L C 0.423 177.212 176.870 -0.135 0.000 1.236 218 L CA 0.168 54.881 54.840 -0.212 0.000 1.144 218 L CB -0.094 41.953 42.059 -0.020 0.000 1.379 218 L HN 0.772 nan 8.230 nan 0.000 0.414 219 T N 0.098 114.442 114.554 -0.351 0.000 3.032 219 T HA 0.384 4.734 4.350 -0.000 0.000 0.312 219 T C 0.013 174.456 174.700 -0.428 0.000 1.078 219 T CA -0.362 61.639 62.100 -0.166 0.000 1.028 219 T CB 0.846 69.651 68.868 -0.105 0.000 1.091 219 T HN 0.203 nan 8.240 nan 0.000 0.457 220 F N 2.377 122.188 119.950 -0.232 0.000 2.678 220 F HA 0.411 4.938 4.527 -0.000 0.000 0.305 220 F C 1.018 176.398 175.800 -0.699 0.000 1.090 220 F CA -0.495 57.168 58.000 -0.561 0.000 1.272 220 F CB 0.561 39.166 39.000 -0.658 0.000 1.060 220 F HN 0.749 nan 8.300 nan 0.000 0.576 221 E N -0.547 119.560 120.200 -0.154 0.000 2.400 221 E HA 0.372 4.722 4.350 -0.000 0.000 0.285 221 E C -1.345 175.301 176.600 0.076 0.000 1.005 221 E CA -0.918 55.435 56.400 -0.078 0.000 0.816 221 E CB 1.482 31.196 29.700 0.024 0.000 1.220 221 E HN -0.035 nan 8.360 nan 0.000 0.426 222 T N 1.889 116.484 114.554 0.069 0.000 2.772 222 T HA 0.660 5.010 4.350 -0.000 0.000 0.288 222 T C -0.103 174.696 174.700 0.166 0.000 0.994 222 T CA -0.670 61.498 62.100 0.114 0.000 0.951 222 T CB 0.400 69.283 68.868 0.025 0.000 0.933 222 T HN 0.419 nan 8.240 nan 0.000 0.447 223 L N 2.359 123.771 121.223 0.314 0.000 2.354 223 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 223 L C 0.606 177.647 176.870 0.285 0.000 1.008 223 L CA -1.195 53.783 54.840 0.229 0.000 0.819 223 L CB 2.503 44.620 42.059 0.095 0.000 1.339 223 L HN 0.866 nan 8.230 nan 0.000 0.420 224 S N 0.224 116.016 115.700 0.154 0.000 2.669 224 S HA 0.421 4.891 4.470 -0.000 0.000 0.270 224 S C -2.162 172.500 174.600 0.102 0.000 1.225 224 S CA -1.163 57.100 58.200 0.105 0.000 0.991 224 S CB 1.541 64.768 63.200 0.045 0.000 0.987 224 S HN 0.376 nan 8.310 nan 0.000 0.552 225 P HA -0.071 nan 4.420 nan 0.000 0.216 225 P C 1.477 178.658 177.300 -0.198 0.000 1.150 225 P CA 0.698 63.658 63.100 -0.234 0.000 0.837 225 P CB -0.073 30.840 31.700 -1.312 0.000 0.786 226 V N -0.448 119.376 119.914 -0.150 0.000 2.358 226 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 226 V C 2.432 178.548 176.094 0.036 0.000 1.047 226 V CA 1.805 64.109 62.300 0.006 0.000 1.035 226 V CB -1.225 30.622 31.823 0.040 0.000 0.658 226 V HN 0.171 nan 8.190 nan 0.000 0.452 227 Q N -0.542 119.275 119.800 0.029 0.000 2.084 227 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 227 Q C 2.352 178.350 176.000 -0.003 0.000 0.978 227 Q CA 1.644 57.461 55.803 0.024 0.000 0.844 227 Q CB -0.325 28.434 28.738 0.034 0.000 0.898 227 Q HN 0.520 nan 8.270 nan 0.000 0.426 228 V N 0.205 120.106 119.914 -0.022 0.000 2.407 228 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 228 V C 2.287 178.334 176.094 -0.079 0.000 1.055 228 V CA 1.467 63.688 62.300 -0.131 0.000 1.049 228 V CB -0.473 31.202 31.823 -0.247 0.000 0.662 228 V HN 0.532 nan 8.190 nan 0.000 0.455 229 C N -0.101 119.185 119.300 -0.024 0.000 2.429 229 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 229 C C 3.071 178.076 174.990 0.025 0.000 1.262 229 C CA 0.725 59.735 59.018 -0.013 0.000 1.733 229 C CB -1.274 26.538 27.740 0.120 0.000 2.010 229 C HN 0.645 nan 8.230 nan 0.000 0.483 230 A N 0.644 123.483 122.820 0.031 0.000 1.883 230 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 230 A C 2.393 179.984 177.584 0.012 0.000 1.186 230 A CA 2.303 54.356 52.037 0.026 0.000 0.624 230 A CB -1.085 17.928 19.000 0.022 0.000 0.822 230 A HN 0.588 nan 8.150 nan 0.000 0.444 231 A N -1.158 121.662 122.820 0.000 0.000 1.892 231 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 231 A C 1.981 179.512 177.584 -0.087 0.000 1.188 231 A CA 1.815 53.825 52.037 -0.046 0.000 0.631 231 A CB -0.836 18.122 19.000 -0.070 0.000 0.822 231 A HN 0.469 nan 8.150 nan 0.000 0.447 232 F N 0.070 119.854 119.950 -0.277 0.000 2.134 232 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 232 F C 3.012 178.673 175.800 -0.231 0.000 1.097 232 F CA 1.511 59.296 58.000 -0.358 0.000 1.264 232 F CB -0.651 38.008 39.000 -0.568 0.000 1.001 232 F HN 0.266 nan 8.300 nan 0.000 0.479 233 S N 0.514 116.234 115.700 0.035 0.000 2.348 233 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 233 S C 1.923 176.529 174.600 0.009 0.000 1.033 233 S CA 1.397 59.616 58.200 0.031 0.000 1.010 233 S CB -0.361 62.865 63.200 0.044 0.000 0.891 233 S HN 0.477 nan 8.310 nan 0.000 0.442 234 R N 0.314 120.807 120.500 -0.012 0.000 2.541 234 R HA 0.433 4.773 4.340 -0.000 0.000 0.245 234 R C 0.885 177.156 176.300 -0.048 0.000 1.154 234 R CA 0.729 56.817 56.100 -0.020 0.000 1.179 234 R CB -0.199 30.089 30.300 -0.020 0.000 1.189 234 R HN 0.313 nan 8.270 nan 0.000 0.526 235 A N 0.036 122.814 122.820 -0.069 0.000 2.263 235 A HA 0.303 4.623 4.320 -0.000 0.000 0.200 235 A C 1.302 178.853 177.584 -0.056 0.000 1.428 235 A CA -0.306 51.668 52.037 -0.105 0.000 1.050 235 A CB 0.554 19.422 19.000 -0.220 0.000 1.226 235 A HN 0.323 nan 8.150 nan 0.000 0.501 236 L N -0.389 120.830 121.223 -0.007 0.000 2.858 236 L HA 0.193 4.533 4.340 -0.000 0.000 0.251 236 L C 0.291 177.240 176.870 0.132 0.000 1.149 236 L CA 0.152 55.052 54.840 0.101 0.000 0.955 236 L CB 0.285 42.427 42.059 0.138 0.000 1.289 236 L HN 0.419 nan 8.230 nan 0.000 0.542 237 N N -0.045 118.703 118.700 0.080 0.000 2.965 237 N HA -0.175 4.565 4.740 -0.000 0.000 0.232 237 N C 0.188 175.757 175.510 0.099 0.000 0.913 237 N CA 1.025 54.122 53.050 0.079 0.000 0.981 237 N CB -0.796 37.741 38.487 0.084 0.000 1.077 237 N HN 0.403 nan 8.380 nan 0.000 0.589 238 R N 0.842 121.421 120.500 0.132 0.000 2.782 238 R HA 0.479 4.819 4.340 -0.000 0.000 0.258 238 R C 0.435 176.813 176.300 0.129 0.000 1.055 238 R CA -0.788 55.402 56.100 0.149 0.000 1.065 238 R CB 1.634 32.082 30.300 0.247 0.000 1.172 238 R HN 0.038 nan 8.270 nan 0.000 0.510 239 R N 1.319 121.887 120.500 0.114 0.000 2.234 239 R HA 0.269 4.609 4.340 -0.000 0.000 0.324 239 R C -1.133 175.244 176.300 0.129 0.000 1.054 239 R CA -0.240 55.918 56.100 0.095 0.000 0.912 239 R CB 0.702 31.041 30.300 0.065 0.000 1.030 239 R HN 0.296 nan 8.270 nan 0.000 0.455 240 V N 4.196 124.179 119.914 0.116 0.000 2.495 240 V HA 0.420 4.540 4.120 -0.000 0.000 0.298 240 V C -0.149 176.015 176.094 0.117 0.000 1.031 240 V CA -0.667 61.708 62.300 0.124 0.000 0.871 240 V CB 1.919 33.772 31.823 0.049 0.000 0.988 240 V HN 0.974 nan 8.190 nan 0.000 0.432 241 T N 1.404 116.045 114.554 0.145 0.000 2.893 241 T HA 0.648 4.998 4.350 -0.000 0.000 0.291 241 T C -1.073 173.768 174.700 0.235 0.000 1.028 241 T CA -0.674 61.523 62.100 0.161 0.000 0.995 241 T CB 1.769 70.704 68.868 0.113 0.000 1.051 241 T HN 0.436 nan 8.240 nan 0.000 0.470 242 Y N 1.711 122.071 120.300 0.100 0.000 2.334 242 Y HA 0.627 5.177 4.550 0.000 0.000 0.328 242 Y C -1.036 174.862 175.900 -0.004 0.000 1.130 242 Y CA -1.151 56.995 58.100 0.076 0.000 1.163 242 Y CB 1.278 39.777 38.460 0.065 0.000 1.207 242 Y HN 0.619 nan 8.280 nan 0.000 0.471 243 V N 6.868 126.300 119.914 -0.802 0.000 2.445 243 V HA 0.158 4.278 4.120 -0.000 0.000 0.283 243 V C -0.635 174.873 176.094 -0.977 0.000 1.014 243 V CA -0.954 60.925 62.300 -0.701 0.000 0.852 243 V CB 1.324 32.775 31.823 -0.621 0.000 1.021 243 V HN 0.775 nan 8.190 nan 0.000 0.435 244 Q N 4.223 123.592 119.800 -0.719 0.000 2.263 244 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 244 Q C -0.528 175.244 176.000 -0.379 0.000 1.104 244 Q CA -0.132 55.382 55.803 -0.481 0.000 0.909 244 Q CB 1.167 29.813 28.738 -0.153 0.000 1.214 244 Q HN 0.758 nan 8.270 nan 0.000 0.400 245 V N 2.684 122.373 119.914 -0.375 0.000 2.459 245 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 245 V C -2.253 173.713 176.094 -0.214 0.000 1.029 245 V CA -2.147 59.982 62.300 -0.285 0.000 0.874 245 V CB 1.395 33.051 31.823 -0.279 0.000 0.985 245 V HN 0.666 nan 8.190 nan 0.000 0.438 246 P HA -0.122 nan 4.420 nan 0.000 0.218 246 P C 0.260 177.476 177.300 -0.139 0.000 1.152 246 P CA 1.688 64.708 63.100 -0.134 0.000 0.857 246 P CB 0.177 31.812 31.700 -0.108 0.000 0.787 247 K N -1.967 118.348 120.400 -0.142 0.000 2.433 247 K HA 0.434 4.754 4.320 -0.000 0.000 0.252 247 K C -1.025 175.484 176.600 -0.151 0.000 1.015 247 K CA -1.151 55.053 56.287 -0.139 0.000 0.860 247 K CB 2.420 34.856 32.500 -0.106 0.000 1.359 247 K HN -0.434 nan 8.250 nan 0.000 0.452 248 V N 2.230 122.051 119.914 -0.153 0.000 2.488 248 V HA 0.052 4.172 4.120 -0.000 0.000 0.277 248 V C -0.128 175.911 176.094 -0.092 0.000 1.046 248 V CA -0.208 62.005 62.300 -0.146 0.000 0.986 248 V CB 0.714 32.431 31.823 -0.177 0.000 0.989 248 V HN 0.626 nan 8.190 nan 0.000 0.475 249 E N 4.973 125.142 120.200 -0.052 0.000 2.003 249 E HA 0.212 4.562 4.350 -0.000 0.000 0.279 249 E C -0.798 175.800 176.600 -0.003 0.000 1.132 249 E CA -0.369 56.021 56.400 -0.016 0.000 0.888 249 E CB 0.547 30.259 29.700 0.019 0.000 1.056 249 E HN 0.456 nan 8.360 nan 0.000 0.399 250 I N 4.009 124.569 120.570 -0.017 0.000 2.260 250 I HA -0.003 4.167 4.170 -0.000 0.000 0.297 250 I C 0.989 177.121 176.117 0.025 0.000 1.143 250 I CA 0.296 61.596 61.300 -0.000 0.000 1.271 250 I CB 0.291 38.273 38.000 -0.029 0.000 1.461 250 I HN 0.288 nan 8.210 nan 0.000 0.530 251 K N 3.988 124.417 120.400 0.048 0.000 2.444 251 K HA 0.171 4.491 4.320 -0.000 0.000 0.193 251 K C 0.163 176.794 176.600 0.053 0.000 1.024 251 K CA 0.288 56.600 56.287 0.041 0.000 1.077 251 K CB 0.209 32.730 32.500 0.034 0.000 0.833 251 K HN 0.528 nan 8.250 nan 0.000 0.517 252 V N -2.499 117.466 119.914 0.086 0.000 3.160 252 V HA 0.363 4.483 4.120 -0.000 0.000 0.310 252 V C -1.029 175.128 176.094 0.106 0.000 1.181 252 V CA -1.569 60.794 62.300 0.106 0.000 1.047 252 V CB 1.615 33.540 31.823 0.171 0.000 1.068 252 V HN -0.128 nan 8.190 nan 0.000 0.441 253 N N 2.824 121.586 118.700 0.104 0.000 2.421 253 N HA 0.439 5.179 4.740 -0.000 0.000 0.260 253 N C -0.189 175.391 175.510 0.117 0.000 1.173 253 N CA -0.037 53.068 53.050 0.091 0.000 0.960 253 N CB -0.035 38.497 38.487 0.074 0.000 1.273 253 N HN 0.874 nan 8.380 nan 0.000 0.497 254 I N -0.921 119.720 120.570 0.118 0.000 2.566 254 I HA 0.671 4.841 4.170 -0.000 0.000 0.303 254 I C -2.158 174.036 176.117 0.129 0.000 0.983 254 I CA -2.325 59.074 61.300 0.164 0.000 1.235 254 I CB 1.154 39.271 38.000 0.195 0.000 1.386 254 I HN 0.098 nan 8.210 nan 0.000 0.494 255 P HA 0.130 nan 4.420 nan 0.000 0.271 255 P C 1.052 178.415 177.300 0.105 0.000 1.218 255 P CA -0.519 62.644 63.100 0.105 0.000 0.780 255 P CB 1.100 32.853 31.700 0.087 0.000 0.901 256 V N 2.668 122.621 119.914 0.064 0.000 2.233 256 V HA -0.322 3.798 4.120 -0.000 0.000 0.252 256 V C 2.529 178.657 176.094 0.056 0.000 1.063 256 V CA 2.642 64.969 62.300 0.045 0.000 1.032 256 V CB -2.084 29.757 31.823 0.030 0.000 0.645 256 V HN 0.892 nan 8.190 nan 0.000 0.446 257 G N -1.642 107.198 108.800 0.066 0.000 2.503 257 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.221 257 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.221 257 G C 1.546 176.525 174.900 0.132 0.000 1.131 257 G CA 1.361 46.505 45.100 0.073 0.000 0.756 257 G HN 0.581 nan 8.290 nan 0.000 0.572 258 Y N 1.276 121.570 120.300 -0.010 0.000 2.439 258 Y HA 0.152 4.702 4.550 -0.000 0.000 0.292 258 Y C 2.736 178.623 175.900 -0.021 0.000 1.130 258 Y CA 0.449 58.542 58.100 -0.012 0.000 1.254 258 Y CB -0.202 38.260 38.460 0.005 0.000 1.000 258 Y HN 0.142 nan 8.280 nan 0.000 0.554 259 R N 0.074 120.554 120.500 -0.033 0.000 2.057 259 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 259 R C 2.134 178.367 176.300 -0.112 0.000 1.136 259 R CA 1.557 57.578 56.100 -0.130 0.000 0.952 259 R CB -0.198 30.062 30.300 -0.067 0.000 0.848 259 R HN 0.385 nan 8.270 nan 0.000 0.430 260 E N 0.501 120.669 120.200 -0.055 0.000 2.114 260 E HA -0.322 4.028 4.350 -0.000 0.000 0.199 260 E C 2.001 178.546 176.600 -0.091 0.000 1.008 260 E CA 1.575 57.940 56.400 -0.058 0.000 0.810 260 E CB -0.085 29.599 29.700 -0.027 0.000 0.739 260 E HN 0.185 nan 8.360 nan 0.000 0.456 261 Q N 1.273 121.027 119.800 -0.077 0.000 2.030 261 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 261 Q C 2.049 177.934 176.000 -0.192 0.000 0.986 261 Q CA 1.597 57.326 55.803 -0.124 0.000 0.843 261 Q CB -0.393 28.356 28.738 0.018 0.000 0.904 261 Q HN 0.335 nan 8.270 nan 0.000 0.420 262 L N 0.175 121.271 121.223 -0.213 0.000 2.017 262 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 262 L C 2.464 179.220 176.870 -0.191 0.000 1.073 262 L CA 1.859 56.560 54.840 -0.232 0.000 0.745 262 L CB -0.675 41.201 42.059 -0.305 0.000 0.894 262 L HN 0.353 nan 8.230 nan 0.000 0.432 263 E N 0.417 120.519 120.200 -0.163 0.000 2.097 263 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 263 E C 2.271 178.790 176.600 -0.135 0.000 1.000 263 E CA 1.287 57.608 56.400 -0.132 0.000 0.804 263 E CB -0.259 29.379 29.700 -0.103 0.000 0.740 263 E HN 0.538 nan 8.360 nan 0.000 0.454 264 A N 1.348 124.074 122.820 -0.156 0.000 1.898 264 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 264 A C 2.205 179.653 177.584 -0.227 0.000 1.181 264 A CA 0.960 52.887 52.037 -0.183 0.000 0.620 264 A CB -0.532 18.344 19.000 -0.207 0.000 0.819 264 A HN 0.134 nan 8.150 nan 0.000 0.442 265 I N -0.210 120.239 120.570 -0.201 0.000 2.286 265 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 265 I C 2.435 178.529 176.117 -0.039 0.000 1.115 265 I CA 1.614 62.886 61.300 -0.047 0.000 1.392 265 I CB -0.506 37.463 38.000 -0.052 0.000 1.065 265 I HN 0.467 nan 8.210 nan 0.000 0.418 266 E N 0.383 120.501 120.200 -0.136 0.000 2.058 266 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 266 E C 2.281 178.817 176.600 -0.106 0.000 0.997 266 E CA 1.500 57.815 56.400 -0.141 0.000 0.801 266 E CB -0.155 29.462 29.700 -0.139 0.000 0.746 266 E HN 0.320 nan 8.360 nan 0.000 0.450 267 V N 1.052 120.904 119.914 -0.105 0.000 2.270 267 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 267 V C 2.392 178.442 176.094 -0.073 0.000 1.043 267 V CA 1.372 63.649 62.300 -0.037 0.000 1.014 267 V CB -0.526 31.277 31.823 -0.032 0.000 0.645 267 V HN 0.115 nan 8.190 nan 0.000 0.447 268 V N -0.317 119.390 119.914 -0.345 0.000 2.255 268 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 268 V C 2.171 177.842 176.094 -0.705 0.000 1.051 268 V CA 2.424 64.292 62.300 -0.721 0.000 1.018 268 V CB -0.742 30.328 31.823 -1.254 0.000 0.641 268 V HN 0.486 nan 8.190 nan 0.000 0.445 269 F N 0.507 120.339 119.950 -0.198 0.000 2.446 269 F HA 0.291 4.818 4.527 -0.000 0.000 0.292 269 F C 2.261 177.999 175.800 -0.104 0.000 1.096 269 F CA 0.776 58.716 58.000 -0.101 0.000 1.438 269 F CB -1.207 37.791 39.000 -0.003 0.000 1.107 269 F HN 0.137 nan 8.300 nan 0.000 0.546 270 G N 0.228 109.029 108.800 0.002 0.000 2.496 270 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 270 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 270 G C 1.486 176.361 174.900 -0.042 0.000 1.234 270 G CA 0.576 45.648 45.100 -0.047 0.000 0.807 270 G HN 0.307 nan 8.290 nan 0.000 0.543 271 E N 0.165 120.338 120.200 -0.046 0.000 2.008 271 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 271 E C 2.275 178.775 176.600 -0.167 0.000 0.986 271 E CA 1.138 57.471 56.400 -0.112 0.000 0.807 271 E CB -0.259 29.358 29.700 -0.138 0.000 0.766 271 E HN 0.543 nan 8.360 nan 0.000 0.450 272 H N 0.634 119.651 119.070 -0.088 0.000 2.547 272 H HA 0.146 4.702 4.556 -0.000 0.000 0.272 272 H C -0.125 175.122 175.328 -0.136 0.000 0.989 272 H CA 0.402 56.402 56.048 -0.080 0.000 1.214 272 H CB -0.051 29.638 29.762 -0.121 0.000 1.389 272 H HN 0.033 nan 8.280 nan 0.000 0.577 273 K N -0.098 120.277 120.400 -0.042 0.000 3.278 273 K HA -0.176 4.144 4.320 -0.000 0.000 0.270 273 K C -0.302 176.231 176.600 -0.111 0.000 0.955 273 K CA 0.154 56.435 56.287 -0.010 0.000 0.723 273 K CB -1.383 31.142 32.500 0.042 0.000 1.382 273 K HN 0.428 nan 8.250 nan 0.000 0.461 274 A N 0.942 123.516 122.820 -0.410 0.000 2.302 274 A HA 0.543 4.863 4.320 -0.000 0.000 0.285 274 A C -2.074 175.353 177.584 -0.262 0.000 1.105 274 A CA -1.355 50.244 52.037 -0.731 0.000 0.816 274 A CB 0.407 18.259 19.000 -1.913 0.000 1.067 274 A HN 0.026 nan 8.150 nan 0.000 0.489 275 P HA 0.061 nan 4.420 nan 0.000 0.269 275 P C 0.140 177.603 177.300 0.271 0.000 1.215 275 P CA 0.101 63.270 63.100 0.115 0.000 0.780 275 P CB 0.279 32.054 31.700 0.124 0.000 0.898 276 Y N 1.690 122.068 120.300 0.130 0.000 2.163 276 Y HA -0.011 4.539 4.550 -0.000 0.000 0.288 276 Y C 0.561 176.406 175.900 -0.093 0.000 1.136 276 Y CA 1.530 59.659 58.100 0.049 0.000 1.147 276 Y CB -0.033 38.120 38.460 -0.510 0.000 0.987 276 Y HN 0.157 nan 8.280 nan 0.000 0.509 277 F N 2.507 122.604 119.950 0.245 0.000 2.318 277 F HA 0.348 4.875 4.527 0.000 0.000 0.356 277 F C -1.730 174.047 175.800 -0.039 0.000 1.109 277 F CA -3.643 54.411 58.000 0.090 0.000 1.234 277 F CB 0.560 39.617 39.000 0.095 0.000 1.545 277 F HN -0.001 nan 8.300 nan 0.000 0.534 278 P HA -0.063 nan 4.420 nan 0.000 0.242 278 P C 0.163 177.005 177.300 -0.763 0.000 1.197 278 P CA 0.488 63.400 63.100 -0.315 0.000 0.765 278 P CB 0.352 31.880 31.700 -0.286 0.000 0.936 279 L N 1.305 122.139 121.223 -0.649 0.000 2.416 279 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 279 L C -1.028 175.664 176.870 -0.297 0.000 1.161 279 L CA -1.486 52.992 54.840 -0.603 0.000 0.845 279 L CB -0.405 41.362 42.059 -0.487 0.000 1.119 279 L HN -0.192 nan 8.230 nan 0.000 0.464 280 P HA -0.235 nan 4.420 nan 0.000 0.217 280 P C 1.082 178.297 177.300 -0.141 0.000 1.151 280 P CA 1.448 64.491 63.100 -0.094 0.000 0.849 280 P CB 0.112 31.788 31.700 -0.041 0.000 0.787 281 E N -1.854 118.165 120.200 -0.303 0.000 2.338 281 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 281 E C 0.831 177.286 176.600 -0.242 0.000 1.007 281 E CA 1.019 57.205 56.400 -0.357 0.000 0.849 281 E CB -0.695 28.652 29.700 -0.587 0.000 0.774 281 E HN 0.253 nan 8.360 nan 0.000 0.506 282 F N 1.167 121.036 119.950 -0.135 0.000 2.720 282 F HA 0.324 4.851 4.527 -0.000 0.000 0.301 282 F C 1.064 176.857 175.800 -0.012 0.000 1.103 282 F CA -0.683 57.253 58.000 -0.108 0.000 1.291 282 F CB 0.207 39.097 39.000 -0.183 0.000 1.086 282 F HN -0.183 nan 8.300 nan 0.000 0.592 317 V N 1.595 121.503 119.914 -0.010 0.000 2.720 317 V HA -0.159 3.961 4.120 -0.000 0.000 0.256 317 V C 1.824 177.833 176.094 -0.142 0.000 1.082 317 V CA 2.885 65.161 62.300 -0.040 0.000 1.101 317 V CB -0.221 31.587 31.823 -0.024 0.000 0.693 317 V HN 0.916 nan 8.190 nan 0.000 0.479 318 T N -4.312 110.152 114.554 -0.150 0.000 3.100 318 T HA -0.019 4.331 4.350 -0.000 0.000 0.253 318 T C 1.290 175.847 174.700 -0.239 0.000 1.118 318 T CA 0.732 62.678 62.100 -0.257 0.000 1.058 318 T CB -0.258 68.447 68.868 -0.272 0.000 0.953 318 T HN 0.449 nan 8.240 nan 0.000 0.515 319 D N 2.279 122.604 120.400 -0.125 0.000 2.103 319 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 319 D C 2.192 178.455 176.300 -0.061 0.000 0.997 319 D CA 1.579 55.540 54.000 -0.065 0.000 0.833 319 D CB -0.212 40.585 40.800 -0.006 0.000 0.961 319 D HN 0.560 nan 8.370 nan 0.000 0.447 320 E N 0.307 120.477 120.200 -0.050 0.000 2.058 320 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 320 E C 2.133 178.659 176.600 -0.123 0.000 0.997 320 E CA 1.110 57.501 56.400 -0.015 0.000 0.801 320 E CB -0.195 29.515 29.700 0.017 0.000 0.746 320 E HN 0.251 nan 8.360 nan 0.000 0.450 321 A N 1.793 124.419 122.820 -0.324 0.000 1.865 321 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 321 A C 2.114 179.532 177.584 -0.276 0.000 1.191 321 A CA 1.688 53.390 52.037 -0.558 0.000 0.623 321 A CB -0.587 17.648 19.000 -1.275 0.000 0.826 321 A HN 0.117 nan 8.150 nan 0.000 0.444 322 R N -0.702 119.648 120.500 -0.251 0.000 2.127 322 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 322 R C 2.293 178.687 176.300 0.156 0.000 1.134 322 R CA 1.584 57.704 56.100 0.033 0.000 0.975 322 R CB -0.255 30.020 30.300 -0.041 0.000 0.865 322 R HN 0.587 nan 8.270 nan 0.000 0.447 323 K N 0.912 121.369 120.400 0.096 0.000 2.155 323 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 323 K C 1.895 178.611 176.600 0.194 0.000 1.052 323 K CA 0.818 57.188 56.287 0.140 0.000 0.948 323 K CB 0.119 32.697 32.500 0.130 0.000 0.728 323 K HN 0.120 nan 8.250 nan 0.000 0.448 324 L N -0.729 120.610 121.223 0.195 0.000 2.240 324 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 324 L C 0.820 177.938 176.870 0.413 0.000 1.106 324 L CA 0.230 55.213 54.840 0.239 0.000 0.793 324 L CB 0.029 42.149 42.059 0.102 0.000 0.927 324 L HN 0.329 nan 8.230 nan 0.000 0.446 325 W N -0.840 120.605 121.300 0.242 0.000 3.089 325 W HA 0.178 4.838 4.660 -0.000 0.000 0.333 325 W C -0.227 176.544 176.519 0.420 0.000 1.053 325 W CA -0.513 57.007 57.345 0.293 0.000 1.257 325 W CB 1.583 31.234 29.460 0.318 0.000 1.281 325 W HN -0.295 nan 8.180 nan 0.000 0.427 326 S N 2.616 118.211 115.700 -0.175 0.000 2.527 326 S HA 0.037 4.507 4.470 -0.000 0.000 0.222 326 S C 1.334 175.552 174.600 -0.636 0.000 0.985 326 S CA 0.758 58.847 58.200 -0.186 0.000 0.921 326 S CB 0.505 63.633 63.200 -0.121 0.000 0.772 326 S HN 0.590 nan 8.310 nan 0.000 0.529 327 G N 2.514 110.377 108.800 -1.562 0.000 3.678 327 G HA2 0.211 4.171 3.960 -0.000 0.000 0.287 327 G HA3 0.211 4.171 3.960 -0.000 0.000 0.287 327 G C 0.233 174.749 174.900 -0.640 0.000 1.280 327 G CA -0.847 43.508 45.100 -1.241 0.000 1.118 327 G HN 0.415 nan 8.290 nan 0.000 0.563 328 W N -0.284 120.690 121.300 -0.543 0.000 2.126 328 W HA 0.512 5.172 4.660 -0.000 0.000 0.346 328 W C -0.110 176.242 176.519 -0.278 0.000 1.279 328 W CA -1.454 55.738 57.345 -0.254 0.000 1.259 328 W CB 0.497 29.731 29.460 -0.377 0.000 1.133 328 W HN 0.050 nan 8.180 nan 0.000 0.592 329 R N 2.579 122.935 120.500 -0.239 0.000 2.246 329 R HA 0.133 4.473 4.340 -0.000 0.000 0.332 329 R C -0.091 176.200 176.300 -0.016 0.000 0.974 329 R CA -0.432 55.417 56.100 -0.418 0.000 0.837 329 R CB 0.433 30.222 30.300 -0.851 0.000 1.145 329 R HN 0.515 nan 8.270 nan 0.000 0.467 330 D N 3.450 123.866 120.400 0.026 0.000 2.380 330 D HA -0.066 4.574 4.640 -0.000 0.000 0.254 330 D C 0.969 177.294 176.300 0.042 0.000 1.288 330 D CA -0.460 53.645 54.000 0.175 0.000 1.008 330 D CB 0.483 41.386 40.800 0.172 0.000 1.099 330 D HN 0.404 nan 8.370 nan 0.000 0.537 331 M N -0.768 118.832 119.600 0.000 0.000 2.229 331 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 331 M C 1.756 177.973 176.300 -0.138 0.000 1.063 331 M CA 1.589 56.842 55.300 -0.079 0.000 1.114 331 M CB -0.621 31.864 32.600 -0.191 0.000 1.387 331 M HN 0.638 nan 8.290 nan 0.000 0.420 332 E N -0.375 119.746 120.200 -0.132 0.000 2.051 332 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 332 E C 1.970 178.450 176.600 -0.201 0.000 0.991 332 E CA 1.597 57.888 56.400 -0.183 0.000 0.799 332 E CB -0.235 29.391 29.700 -0.124 0.000 0.748 332 E HN 0.710 nan 8.360 nan 0.000 0.449 333 E N -0.625 119.484 120.200 -0.151 0.000 2.072 333 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 333 E C 2.028 178.529 176.600 -0.165 0.000 0.985 333 E CA 1.118 57.425 56.400 -0.156 0.000 0.801 333 E CB -0.280 29.325 29.700 -0.159 0.000 0.750 333 E HN 0.370 nan 8.360 nan 0.000 0.452 334 Y N 0.985 121.161 120.300 -0.206 0.000 2.097 334 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 334 Y C 2.056 177.809 175.900 -0.245 0.000 1.152 334 Y CA 1.971 59.969 58.100 -0.170 0.000 1.136 334 Y CB -0.764 37.615 38.460 -0.136 0.000 0.975 334 Y HN 0.114 nan 8.280 nan 0.000 0.498 335 A N 0.737 123.210 122.820 -0.578 0.000 1.873 335 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 335 A C 2.460 179.716 177.584 -0.546 0.000 1.193 335 A CA 2.327 53.788 52.037 -0.961 0.000 0.629 335 A CB -0.911 17.398 19.000 -1.152 0.000 0.826 335 A HN 0.596 nan 8.150 nan 0.000 0.447 336 R N -1.073 119.212 120.500 -0.358 0.000 2.100 336 R HA -0.046 4.294 4.340 -0.000 0.000 0.220 336 R C 1.615 177.813 176.300 -0.169 0.000 1.091 336 R CA 1.274 57.250 56.100 -0.205 0.000 0.986 336 R CB -0.034 30.172 30.300 -0.157 0.000 0.888 336 R HN 0.488 nan 8.270 nan 0.000 0.444 337 E N -0.300 119.781 120.200 -0.197 0.000 2.276 337 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 337 E C 1.796 178.296 176.600 -0.166 0.000 0.983 337 E CA 0.707 57.017 56.400 -0.150 0.000 0.861 337 E CB 0.700 30.331 29.700 -0.114 0.000 0.817 337 E HN 0.222 nan 8.360 nan 0.000 0.485 338 V N 0.106 119.853 119.914 -0.279 0.000 2.911 338 V HA -0.003 4.117 4.120 -0.000 0.000 0.237 338 V C 1.951 177.880 176.094 -0.275 0.000 1.156 338 V CA 0.200 62.339 62.300 -0.268 0.000 1.180 338 V CB -0.545 31.120 31.823 -0.263 0.000 0.932 338 V HN 0.010 nan 8.190 nan 0.000 0.483 339 F N 2.684 122.242 119.950 -0.653 0.000 2.043 339 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 339 F C -0.128 175.645 175.800 -0.045 0.000 1.118 339 F CA 2.497 60.303 58.000 -0.323 0.000 1.202 339 F CB -1.611 37.180 39.000 -0.349 0.000 0.965 339 F HN 0.194 nan 8.300 nan 0.000 0.482 340 P HA -0.216 nan 4.420 nan 0.000 0.215 340 P C 2.089 179.219 177.300 -0.283 0.000 1.157 340 P CA 1.825 64.785 63.100 -0.233 0.000 0.874 340 P CB -0.120 31.471 31.700 -0.182 0.000 0.790 341 I N -0.182 120.275 120.570 -0.189 0.000 2.226 341 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 341 I C 2.062 178.107 176.117 -0.120 0.000 1.100 341 I CA 1.694 62.906 61.300 -0.147 0.000 1.374 341 I CB -1.621 36.318 38.000 -0.101 0.000 1.057 341 I HN 0.137 nan 8.210 nan 0.000 0.413 342 E N 0.365 120.506 120.200 -0.098 0.000 2.106 342 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 342 E C 2.045 178.607 176.600 -0.062 0.000 0.984 342 E CA 0.681 57.058 56.400 -0.038 0.000 0.806 342 E CB 0.034 29.761 29.700 0.045 0.000 0.750 342 E HN 0.471 nan 8.360 nan 0.000 0.458 343 E N 1.039 121.146 120.200 -0.155 0.000 2.017 343 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 343 E C 2.067 178.602 176.600 -0.108 0.000 0.997 343 E CA 0.936 57.268 56.400 -0.114 0.000 0.804 343 E CB -0.238 29.392 29.700 -0.118 0.000 0.757 343 E HN 0.341 nan 8.360 nan 0.000 0.448 344 E N 0.815 120.895 120.200 -0.200 0.000 2.048 344 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 344 E C 2.042 178.590 176.600 -0.088 0.000 1.021 344 E CA 1.457 57.754 56.400 -0.172 0.000 0.825 344 E CB -0.130 29.449 29.700 -0.201 0.000 0.756 344 E HN 0.172 nan 8.360 nan 0.000 0.454 345 A N 1.131 123.909 122.820 -0.069 0.000 1.978 345 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 345 A C 2.052 179.634 177.584 -0.003 0.000 1.170 345 A CA 1.636 53.654 52.037 -0.031 0.000 0.636 345 A CB -0.658 18.330 19.000 -0.021 0.000 0.810 345 A HN 0.324 nan 8.150 nan 0.000 0.448 346 N N -0.593 118.112 118.700 0.008 0.000 2.270 346 N HA 0.003 4.743 4.740 -0.000 0.000 0.181 346 N C 0.784 176.316 175.510 0.037 0.000 1.016 346 N CA 1.465 54.541 53.050 0.045 0.000 0.870 346 N CB 0.023 38.554 38.487 0.073 0.000 0.979 346 N HN 0.657 nan 8.380 nan 0.000 0.431 347 G N 0.313 109.122 108.800 0.014 0.000 2.720 347 G HA2 0.038 3.998 3.960 -0.000 0.000 0.207 347 G HA3 0.038 3.998 3.960 -0.000 0.000 0.207 347 G C -1.169 173.747 174.900 0.026 0.000 1.068 347 G CA -0.575 44.533 45.100 0.014 0.000 1.077 347 G HN 0.144 nan 8.290 nan 0.000 0.597 348 L N 0.145 121.366 121.223 -0.004 0.000 2.582 348 L HA 0.631 4.971 4.340 -0.000 0.000 0.257 348 L C -0.808 175.997 176.870 -0.108 0.000 0.974 348 L CA -0.945 53.911 54.840 0.027 0.000 0.851 348 L CB 2.258 44.412 42.059 0.157 0.000 1.424 348 L HN 0.125 nan 8.230 nan 0.000 0.412 349 D N 0.457 120.814 120.400 -0.072 0.000 2.673 349 D HA 0.065 4.705 4.640 -0.000 0.000 0.278 349 D C 0.956 177.189 176.300 -0.113 0.000 1.393 349 D CA 0.005 53.915 54.000 -0.150 0.000 0.805 349 D CB 0.446 41.207 40.800 -0.064 0.000 1.110 349 D HN 0.639 nan 8.370 nan 0.000 0.476 350 W N 1.213 122.531 121.300 0.030 0.000 2.595 350 W HA -0.072 4.588 4.660 -0.000 0.000 0.257 350 W C 1.318 177.877 176.519 0.066 0.000 1.267 350 W CA 0.297 57.671 57.345 0.048 0.000 1.300 350 W CB -0.728 28.780 29.460 0.080 0.000 1.120 350 W HN -0.053 nan 8.180 nan 0.000 0.618 351 M N 0.894 120.065 119.600 -0.716 0.000 2.506 351 M HA 0.198 4.678 4.480 -0.000 0.000 0.260 351 M C 0.785 176.941 176.300 -0.240 0.000 1.104 351 M CA 0.664 55.599 55.300 -0.609 0.000 1.112 351 M CB -1.650 30.336 32.600 -1.024 0.000 1.401 351 M HN -0.069 nan 8.290 nan 0.000 0.473 352 L N 0.000 121.111 121.223 -0.187 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.779 54.840 -0.102 0.000 0.813 352 L CB 0.000 42.003 42.059 -0.094 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502