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 3nnp_1_B DATA FIRST_RESID 15 DATA SEQUENCE LSLATLAIHG GQSPDPSTGA VMPPIYATST YAQSSPXXXX XXXXSRTHNP DATA SEQUENCE TRFAYERCVA ALEGGTRAFA FASGMAATST VMELLDAGSH VVAMDDLYGG DATA SEQUENCE TFRLFERVRR RTAGLDFSFV DLTDPAAFKA AIRADTKMVW IETPTNPMLK DATA SEQUENCE LVDIAAIAVI ARKHGLLTVV DNTFASPMLQ RPLSLGADLV VHSATKYLNG DATA SEQUENCE HSDMVGGIAV VGDNAELAEQ MAFLQNSIGG VQGPFDSFLA LRGLKTLPLR DATA SEQUENCE MRAHCENALA LAQWLETHPA IEKVIYPGLA SHPQHVLAKR QMSGFGGIVS DATA SEQUENCE IVLKGGFDAA KRFCEKTELF TLAESLGGVE SLVNHPAVMT HASIPVARRE DATA SEQUENCE QLGISDALVR LSVGIEDLGD LRGDLERALV 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.873 176.870 0.005 0.000 1.165 15 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 15 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 16 S N 3.492 119.197 115.700 0.009 0.000 2.592 16 S HA 0.412 4.882 4.470 -0.000 0.000 0.271 16 S C 1.476 176.087 174.600 0.018 0.000 1.326 16 S CA -0.463 57.743 58.200 0.010 0.000 1.024 16 S CB 0.613 63.818 63.200 0.008 0.000 0.921 16 S HN 0.633 nan 8.310 nan 0.000 0.527 17 L N 2.218 123.448 121.223 0.012 0.000 2.129 17 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 17 L C 2.899 179.782 176.870 0.021 0.000 1.087 17 L CA 1.734 56.583 54.840 0.014 0.000 0.757 17 L CB -1.132 40.930 42.059 0.005 0.000 0.896 17 L HN 0.954 nan 8.230 nan 0.000 0.434 18 A N -0.845 121.988 122.820 0.022 0.000 2.014 18 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 18 A C 2.280 179.894 177.584 0.050 0.000 1.163 18 A CA 1.891 53.945 52.037 0.028 0.000 0.652 18 A CB -0.483 18.530 19.000 0.022 0.000 0.808 18 A HN 0.381 nan 8.150 nan 0.000 0.449 19 T N 0.110 114.705 114.554 0.067 0.000 2.809 19 T HA -0.020 4.330 4.350 -0.000 0.000 0.260 19 T C 1.686 176.487 174.700 0.168 0.000 1.039 19 T CA 1.004 63.187 62.100 0.138 0.000 1.141 19 T CB -0.264 68.663 68.868 0.099 0.000 0.869 19 T HN 0.187 nan 8.240 nan 0.000 0.437 20 L N 1.780 123.060 121.223 0.095 0.000 2.081 20 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 20 L C 2.802 179.700 176.870 0.046 0.000 1.080 20 L CA 1.522 56.406 54.840 0.073 0.000 0.754 20 L CB -1.542 40.541 42.059 0.040 0.000 0.893 20 L HN 0.276 nan 8.230 nan 0.000 0.433 21 A N -0.925 121.912 122.820 0.028 0.000 1.940 21 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 21 A C 2.314 179.881 177.584 -0.029 0.000 1.176 21 A CA 2.003 54.043 52.037 0.006 0.000 0.631 21 A CB -0.513 18.492 19.000 0.008 0.000 0.814 21 A HN 0.448 nan 8.150 nan 0.000 0.446 22 I N -2.675 117.853 120.570 -0.070 0.000 3.081 22 I HA 0.008 4.178 4.170 -0.000 0.000 0.274 22 I C 1.813 177.716 176.117 -0.356 0.000 1.178 22 I CA 0.584 61.741 61.300 -0.238 0.000 1.460 22 I CB -0.049 37.757 38.000 -0.322 0.000 1.137 22 I HN 0.357 nan 8.210 nan 0.000 0.443 23 H N -0.172 118.904 119.070 0.011 0.000 3.046 23 H HA 0.275 4.831 4.556 0.001 0.000 0.262 23 H C 1.128 176.462 175.328 0.010 0.000 1.044 23 H CA 0.123 56.178 56.048 0.011 0.000 1.209 23 H CB 0.377 30.144 29.762 0.008 0.000 1.507 23 H HN 0.149 nan 8.280 nan 0.000 0.507 24 G N 0.381 109.241 108.800 0.101 0.000 2.343 24 G HA2 0.276 4.236 3.960 -0.000 0.000 0.254 24 G HA3 0.276 4.236 3.960 -0.000 0.000 0.254 24 G C 1.056 175.978 174.900 0.037 0.000 1.277 24 G CA 0.376 45.511 45.100 0.059 0.000 0.909 24 G HN 0.424 nan 8.290 nan 0.000 0.502 25 G N 1.100 109.914 108.800 0.024 0.000 2.269 25 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.277 25 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.277 25 G C 0.435 175.353 174.900 0.029 0.000 1.008 25 G CA 0.870 45.976 45.100 0.010 0.000 0.774 25 G HN 0.767 nan 8.290 nan 0.000 0.511 26 Q N -0.418 119.413 119.800 0.051 0.000 2.359 26 Q HA 0.818 5.158 4.340 -0.000 0.000 0.275 26 Q C 0.215 176.257 176.000 0.071 0.000 1.082 26 Q CA 0.003 55.842 55.803 0.061 0.000 0.849 26 Q CB 2.166 30.937 28.738 0.055 0.000 1.377 26 Q HN 1.088 nan 8.270 nan 0.000 0.452 27 S N -1.039 114.702 115.700 0.069 0.000 2.622 27 S HA 0.565 5.035 4.470 -0.000 0.000 0.275 27 S C -2.973 171.666 174.600 0.066 0.000 1.112 27 S CA -1.089 57.151 58.200 0.067 0.000 0.837 27 S CB 0.397 63.627 63.200 0.050 0.000 1.082 27 S HN 0.303 nan 8.310 nan 0.000 0.456 28 P HA 0.287 nan 4.420 nan 0.000 0.269 28 P C -0.782 176.555 177.300 0.062 0.000 1.215 28 P CA 0.058 63.193 63.100 0.059 0.000 0.780 28 P CB 0.149 31.878 31.700 0.050 0.000 0.898 29 D N 3.239 123.680 120.400 0.069 0.000 2.487 29 D HA -0.031 4.609 4.640 -0.000 0.000 0.243 29 D C -1.242 175.098 176.300 0.067 0.000 1.154 29 D CA -1.181 52.868 54.000 0.081 0.000 0.876 29 D CB 0.439 41.294 40.800 0.091 0.000 1.161 29 D HN 0.156 nan 8.370 nan 0.000 0.478 30 P HA -0.190 nan 4.420 nan 0.000 0.214 30 P C 1.155 178.485 177.300 0.050 0.000 1.163 30 P CA 1.354 64.486 63.100 0.054 0.000 0.883 30 P CB -0.175 31.558 31.700 0.054 0.000 0.788 31 S N -1.062 114.674 115.700 0.059 0.000 2.399 31 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 31 S C 1.651 176.272 174.600 0.034 0.000 1.022 31 S CA 1.937 60.165 58.200 0.047 0.000 0.983 31 S CB -1.580 61.651 63.200 0.053 0.000 0.803 31 S HN 0.241 nan 8.310 nan 0.000 0.480 32 T N -1.022 113.553 114.554 0.036 0.000 2.954 32 T HA 0.532 4.882 4.350 -0.000 0.000 0.252 32 T C 1.495 176.209 174.700 0.024 0.000 0.983 32 T CA 0.238 62.352 62.100 0.023 0.000 0.941 32 T CB 0.400 69.276 68.868 0.013 0.000 1.141 32 T HN 0.715 nan 8.240 nan 0.000 0.500 33 G N 2.242 111.061 108.800 0.032 0.000 2.184 33 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.264 33 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.264 33 G C 0.438 175.359 174.900 0.034 0.000 0.975 33 G CA -0.019 45.100 45.100 0.032 0.000 0.642 33 G HN 1.083 nan 8.290 nan 0.000 0.536 34 A N 0.255 123.094 122.820 0.032 0.000 2.572 34 A HA 0.432 4.752 4.320 -0.000 0.000 0.256 34 A C 1.908 179.520 177.584 0.047 0.000 1.041 34 A CA 1.307 53.364 52.037 0.032 0.000 0.790 34 A CB 0.086 19.101 19.000 0.025 0.000 0.947 34 A HN 1.779 nan 8.150 nan 0.000 0.518 35 V N 1.729 121.669 119.914 0.044 0.000 2.379 35 V HA -0.021 4.099 4.120 -0.000 0.000 0.245 35 V C 1.017 177.146 176.094 0.057 0.000 1.044 35 V CA 0.730 63.059 62.300 0.049 0.000 1.036 35 V CB -0.861 30.986 31.823 0.041 0.000 0.664 35 V HN 0.716 nan 8.190 nan 0.000 0.453 36 M N 1.407 121.048 119.600 0.069 0.000 2.274 36 M HA 0.513 4.993 4.480 -0.000 0.000 0.344 36 M C -2.610 173.766 176.300 0.127 0.000 1.161 36 M CA -2.741 52.624 55.300 0.109 0.000 1.126 36 M CB -0.092 32.601 32.600 0.156 0.000 1.522 36 M HN 0.101 nan 8.290 nan 0.000 0.461 37 P HA 0.329 nan 4.420 nan 0.000 0.276 37 P C -2.458 174.915 177.300 0.121 0.000 1.230 37 P CA -0.959 62.244 63.100 0.171 0.000 0.776 37 P CB -0.440 31.381 31.700 0.202 0.000 0.888 38 P HA 0.103 nan 4.420 nan 0.000 0.266 38 P C -0.219 176.986 177.300 -0.159 0.000 1.195 38 P CA 0.213 63.231 63.100 -0.136 0.000 0.768 38 P CB 0.251 31.803 31.700 -0.246 0.000 0.838 39 I N 3.053 123.385 120.570 -0.396 0.000 2.421 39 I HA 0.026 4.196 4.170 -0.000 0.000 0.291 39 I C 0.178 176.045 176.117 -0.418 0.000 1.089 39 I CA -0.133 60.918 61.300 -0.415 0.000 1.354 39 I CB -0.270 37.301 38.000 -0.715 0.000 1.413 39 I HN 0.315 nan 8.210 nan 0.000 0.513 40 Y N 5.807 125.948 120.300 -0.265 0.000 2.568 40 Y HA 0.309 4.859 4.550 -0.000 0.000 0.338 40 Y C 0.946 176.691 175.900 -0.258 0.000 1.245 40 Y CA -0.449 57.518 58.100 -0.222 0.000 1.667 40 Y CB 0.320 38.690 38.460 -0.150 0.000 1.568 40 Y HN 0.630 nan 8.280 nan 0.000 0.471 41 A N 2.876 125.539 122.820 -0.261 0.000 3.056 41 A HA 0.460 4.780 4.320 -0.000 0.000 0.274 41 A C 0.094 177.587 177.584 -0.152 0.000 1.661 41 A CA -0.259 51.646 52.037 -0.221 0.000 1.363 41 A CB -0.795 18.033 19.000 -0.286 0.000 1.139 41 A HN 0.502 nan 8.150 nan 0.000 0.598 42 T N -1.822 112.648 114.554 -0.139 0.000 2.903 42 T HA 0.499 4.849 4.350 -0.000 0.000 0.299 42 T C 0.986 175.595 174.700 -0.151 0.000 1.093 42 T CA 0.021 62.005 62.100 -0.195 0.000 1.002 42 T CB 1.681 70.308 68.868 -0.403 0.000 1.127 42 T HN 0.585 nan 8.240 nan 0.000 0.488 43 S N 0.674 116.292 115.700 -0.136 0.000 2.456 43 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 43 S C 0.800 175.359 174.600 -0.067 0.000 1.035 43 S CA 0.264 58.424 58.200 -0.067 0.000 0.940 43 S CB -0.310 62.873 63.200 -0.028 0.000 0.799 43 S HN 0.952 nan 8.310 nan 0.000 0.508 44 T N -0.368 114.063 114.554 -0.206 0.000 2.838 44 T HA 0.680 5.030 4.350 -0.000 0.000 0.292 44 T C -1.793 172.586 174.700 -0.535 0.000 1.113 44 T CA -0.700 61.325 62.100 -0.126 0.000 1.008 44 T CB 1.061 69.924 68.868 -0.008 0.000 1.259 44 T HN 0.188 nan 8.240 nan 0.000 0.520 45 Y N 0.061 120.387 120.300 0.043 0.000 2.406 45 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 45 Y C 0.392 176.323 175.900 0.052 0.000 0.975 45 Y CA -1.406 56.732 58.100 0.063 0.000 1.056 45 Y CB 1.450 39.984 38.460 0.123 0.000 1.210 45 Y HN 1.008 nan 8.280 nan 0.000 0.448 46 A N 3.617 126.519 122.820 0.137 0.000 2.511 46 A HA 0.326 4.646 4.320 -0.000 0.000 0.242 46 A C -0.227 177.424 177.584 0.112 0.000 1.069 46 A CA -0.206 51.889 52.037 0.096 0.000 0.763 46 A CB 0.088 19.126 19.000 0.064 0.000 1.001 46 A HN 0.795 nan 8.150 nan 0.000 0.498 47 Q N 1.116 120.965 119.800 0.081 0.000 2.301 47 Q HA 0.433 4.773 4.340 -0.000 0.000 0.267 47 Q C 0.816 176.845 176.000 0.047 0.000 1.035 47 Q CA -0.135 55.708 55.803 0.066 0.000 0.856 47 Q CB 1.766 30.540 28.738 0.060 0.000 1.337 47 Q HN 0.876 nan 8.270 nan 0.000 0.450 48 S N -0.240 115.484 115.700 0.039 0.000 2.404 48 S HA 0.059 4.529 4.470 -0.000 0.000 0.223 48 S C 0.862 175.477 174.600 0.025 0.000 1.040 48 S CA 0.063 58.281 58.200 0.030 0.000 0.957 48 S CB 0.348 63.564 63.200 0.027 0.000 0.826 48 S HN 0.366 nan 8.310 nan 0.000 0.491 49 S N 1.779 117.494 115.700 0.024 0.000 2.526 49 S HA 0.686 5.156 4.470 -0.000 0.000 0.293 49 S C -2.566 172.048 174.600 0.023 0.000 1.092 49 S CA -1.416 56.796 58.200 0.021 0.000 0.980 49 S CB 0.525 63.735 63.200 0.017 0.000 1.048 49 S HN 0.225 nan 8.310 nan 0.000 0.483 60 R N 1.620 122.150 120.500 0.051 0.000 2.092 60 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 60 R C 1.714 178.045 176.300 0.052 0.000 1.119 60 R CA 2.389 58.514 56.100 0.042 0.000 0.970 60 R CB -0.309 30.017 30.300 0.043 0.000 0.864 60 R HN 0.410 nan 8.270 nan 0.000 0.440 61 T N -0.829 113.767 114.554 0.070 0.000 2.668 61 T HA -0.111 4.239 4.350 -0.000 0.000 0.258 61 T C 0.769 175.540 174.700 0.118 0.000 1.051 61 T CA 1.071 63.232 62.100 0.103 0.000 1.155 61 T CB -0.289 68.642 68.868 0.104 0.000 0.864 61 T HN 0.363 nan 8.240 nan 0.000 0.413 62 H N 1.147 120.141 119.070 -0.128 0.000 2.547 62 H HA 0.491 5.047 4.556 -0.000 0.000 0.342 62 H C -1.387 173.597 175.328 -0.573 0.000 1.048 62 H CA -0.745 55.045 56.048 -0.430 0.000 1.204 62 H CB 0.873 30.343 29.762 -0.487 0.000 1.493 62 H HN 0.139 nan 8.280 nan 0.000 0.511 63 N N 6.159 124.085 118.700 -1.290 0.000 2.616 63 N HA 0.104 4.844 4.740 -0.000 0.000 0.281 63 N C -2.658 172.278 175.510 -0.958 0.000 1.145 63 N CA -1.278 51.223 53.050 -0.914 0.000 0.919 63 N CB 2.427 40.670 38.487 -0.407 0.000 1.509 63 N HN 0.359 nan 8.380 nan 0.000 0.537 64 P HA -0.017 nan 4.420 nan 0.000 0.218 64 P C 1.107 178.338 177.300 -0.115 0.000 1.149 64 P CA 1.271 64.114 63.100 -0.428 0.000 0.817 64 P CB 0.376 31.614 31.700 -0.770 0.000 0.785 65 T N -0.574 113.953 114.554 -0.046 0.000 2.708 65 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 65 T C 1.904 176.690 174.700 0.143 0.000 1.037 65 T CA 1.088 63.257 62.100 0.116 0.000 1.146 65 T CB -0.546 68.401 68.868 0.132 0.000 0.865 65 T HN 0.105 nan 8.240 nan 0.000 0.435 66 R N -0.207 120.342 120.500 0.081 0.000 2.091 66 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 66 R C 2.182 178.659 176.300 0.295 0.000 1.136 66 R CA 1.341 57.554 56.100 0.188 0.000 0.959 66 R CB -0.342 30.014 30.300 0.092 0.000 0.856 66 R HN 0.269 nan 8.270 nan 0.000 0.437 67 F N 0.449 120.406 119.950 0.011 0.000 2.126 67 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 67 F C 2.501 178.293 175.800 -0.014 0.000 1.096 67 F CA 0.996 58.977 58.000 -0.032 0.000 1.255 67 F CB -1.182 37.795 39.000 -0.037 0.000 0.997 67 F HN 0.138 nan 8.300 nan 0.000 0.479 68 A N -0.932 122.030 122.820 0.238 0.000 1.930 68 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 68 A C 2.133 179.817 177.584 0.168 0.000 1.175 68 A CA 1.351 53.484 52.037 0.160 0.000 0.627 68 A CB -1.442 17.650 19.000 0.154 0.000 0.815 68 A HN 0.420 nan 8.150 nan 0.000 0.443 69 Y N 1.161 121.498 120.300 0.062 0.000 2.097 69 Y HA -0.218 4.331 4.550 -0.000 0.000 0.282 69 Y C 2.100 178.006 175.900 0.010 0.000 1.152 69 Y CA 2.075 60.194 58.100 0.032 0.000 1.136 69 Y CB -0.805 37.682 38.460 0.045 0.000 0.975 69 Y HN 0.514 nan 8.280 nan 0.000 0.498 70 E N -0.095 119.997 120.200 -0.181 0.000 2.038 70 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 70 E C 2.381 178.844 176.600 -0.228 0.000 1.000 70 E CA 1.482 57.685 56.400 -0.329 0.000 0.803 70 E CB -0.273 29.262 29.700 -0.275 0.000 0.750 70 E HN 0.418 nan 8.360 nan 0.000 0.448 71 R N 0.052 120.470 120.500 -0.136 0.000 2.117 71 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 71 R C 2.547 178.807 176.300 -0.068 0.000 1.143 71 R CA 1.370 57.407 56.100 -0.105 0.000 0.968 71 R CB -0.588 29.677 30.300 -0.058 0.000 0.863 71 R HN 0.318 nan 8.270 nan 0.000 0.444 72 C N -0.107 119.172 119.300 -0.034 0.000 2.466 72 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 72 C C 2.601 177.573 174.990 -0.030 0.000 1.288 72 C CA 0.408 59.424 59.018 -0.003 0.000 1.722 72 C CB -0.612 27.159 27.740 0.052 0.000 2.017 72 C HN 0.276 nan 8.230 nan 0.000 0.488 73 V N 2.015 121.878 119.914 -0.084 0.000 2.295 73 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 73 V C 2.940 178.993 176.094 -0.069 0.000 1.049 73 V CA 2.144 64.386 62.300 -0.098 0.000 1.024 73 V CB -1.563 30.143 31.823 -0.195 0.000 0.648 73 V HN 0.656 nan 8.190 nan 0.000 0.447 74 A N 0.488 123.249 122.820 -0.098 0.000 1.884 74 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 74 A C 2.461 180.020 177.584 -0.042 0.000 1.197 74 A CA 2.866 54.858 52.037 -0.075 0.000 0.637 74 A CB -1.087 17.841 19.000 -0.119 0.000 0.827 74 A HN 0.633 nan 8.150 nan 0.000 0.450 75 A N -0.593 122.203 122.820 -0.040 0.000 1.902 75 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 75 A C 2.196 179.776 177.584 -0.007 0.000 1.181 75 A CA 1.595 53.621 52.037 -0.019 0.000 0.623 75 A CB -0.651 18.343 19.000 -0.010 0.000 0.818 75 A HN 0.508 nan 8.150 nan 0.000 0.443 76 L N -0.726 120.494 121.223 -0.006 0.000 2.083 76 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 76 L C 2.302 179.178 176.870 0.011 0.000 1.083 76 L CA 1.257 56.099 54.840 0.002 0.000 0.752 76 L CB -0.443 41.615 42.059 -0.002 0.000 0.899 76 L HN 0.336 nan 8.230 nan 0.000 0.433 77 E N 0.048 120.257 120.200 0.016 0.000 2.478 77 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 77 E C 1.311 177.919 176.600 0.014 0.000 1.045 77 E CA 0.721 57.141 56.400 0.033 0.000 0.868 77 E CB 0.258 29.996 29.700 0.063 0.000 0.885 77 E HN 0.481 nan 8.360 nan 0.000 0.505 78 G N 1.440 110.241 108.800 0.003 0.000 2.246 78 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.273 78 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.273 78 G C 0.507 175.405 174.900 -0.004 0.000 1.055 78 G CA 0.309 45.408 45.100 -0.003 0.000 0.851 78 G HN 0.462 nan 8.290 nan 0.000 0.500 79 G N -1.645 107.151 108.800 -0.007 0.000 2.613 79 G HA2 0.731 4.691 3.960 -0.000 0.000 0.303 79 G HA3 0.731 4.691 3.960 -0.000 0.000 0.303 79 G C 1.078 175.965 174.900 -0.023 0.000 1.312 79 G CA 0.800 45.898 45.100 -0.005 0.000 1.036 79 G HN 0.977 nan 8.290 nan 0.000 0.513 80 T N -2.578 111.964 114.554 -0.020 0.000 3.010 80 T HA 0.284 4.634 4.350 -0.000 0.000 0.252 80 T C 0.886 175.531 174.700 -0.092 0.000 1.047 80 T CA 0.236 62.311 62.100 -0.041 0.000 1.140 80 T CB 0.182 69.038 68.868 -0.019 0.000 0.885 80 T HN 0.305 nan 8.240 nan 0.000 0.464 81 R N 0.739 121.174 120.500 -0.107 0.000 2.725 81 R HA 0.833 5.173 4.340 -0.000 0.000 0.277 81 R C -1.375 174.697 176.300 -0.379 0.000 0.987 81 R CA -0.554 55.369 56.100 -0.295 0.000 0.901 81 R CB 2.267 32.382 30.300 -0.307 0.000 1.207 81 R HN 0.401 nan 8.270 nan 0.000 0.463 82 A N 2.007 124.451 122.820 -0.627 0.000 2.469 82 A HA 0.885 5.205 4.320 -0.000 0.000 0.299 82 A C -1.477 175.576 177.584 -0.885 0.000 1.098 82 A CA -0.616 51.122 52.037 -0.498 0.000 0.737 82 A CB 1.253 20.098 19.000 -0.259 0.000 1.312 82 A HN 0.501 nan 8.150 nan 0.000 0.414 83 F N 0.434 120.362 119.950 -0.036 0.000 2.536 83 F HA 0.619 5.146 4.527 0.000 0.000 0.322 83 F C 0.519 176.159 175.800 -0.267 0.000 1.144 83 F CA -0.440 57.465 58.000 -0.160 0.000 0.924 83 F CB 2.172 41.130 39.000 -0.071 0.000 1.181 83 F HN 0.713 nan 8.300 nan 0.000 0.438 84 A N 4.058 126.741 122.820 -0.229 0.000 2.290 84 A HA 0.824 5.144 4.320 -0.000 0.000 0.310 84 A C -1.159 176.280 177.584 -0.243 0.000 1.202 84 A CA -0.225 51.759 52.037 -0.089 0.000 0.837 84 A CB 0.193 19.238 19.000 0.075 0.000 1.139 84 A HN 0.638 nan 8.150 nan 0.000 0.509 85 F N 0.709 120.786 119.950 0.212 0.000 2.639 85 F HA 0.573 5.099 4.527 -0.000 0.000 0.339 85 F C 1.457 177.357 175.800 0.168 0.000 1.071 85 F CA -0.122 57.986 58.000 0.179 0.000 0.994 85 F CB 1.745 40.841 39.000 0.160 0.000 1.341 85 F HN 0.578 nan 8.300 nan 0.000 0.498 86 A N 0.050 123.078 122.820 0.346 0.000 2.067 86 A HA 0.200 4.520 4.320 -0.000 0.000 0.219 86 A C 0.463 178.168 177.584 0.201 0.000 1.158 86 A CA 1.449 53.622 52.037 0.226 0.000 0.661 86 A CB -0.697 18.411 19.000 0.180 0.000 0.801 86 A HN 0.698 nan 8.150 nan 0.000 0.452 87 S N -4.974 110.861 115.700 0.226 0.000 2.611 87 S HA 0.501 4.971 4.470 -0.000 0.000 0.268 87 S C 0.972 175.677 174.600 0.176 0.000 1.156 87 S CA 0.000 58.304 58.200 0.173 0.000 0.817 87 S CB 0.708 63.982 63.200 0.123 0.000 1.122 87 S HN 0.784 nan 8.310 nan 0.000 0.466 88 G N 0.827 109.707 108.800 0.134 0.000 2.469 88 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 88 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 88 G C 1.174 176.120 174.900 0.077 0.000 1.150 88 G CA 1.440 46.605 45.100 0.108 0.000 0.763 88 G HN 0.543 nan 8.290 nan 0.000 0.561 89 M N 1.152 120.791 119.600 0.065 0.000 2.117 89 M HA 0.060 4.540 4.480 -0.000 0.000 0.262 89 M C 2.987 179.292 176.300 0.007 0.000 1.065 89 M CA 1.161 56.486 55.300 0.042 0.000 1.114 89 M CB -1.387 31.247 32.600 0.057 0.000 1.361 89 M HN 0.322 nan 8.290 nan 0.000 0.408 90 A N -0.104 122.733 122.820 0.028 0.000 1.969 90 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 90 A C 2.431 179.833 177.584 -0.303 0.000 1.169 90 A CA 1.864 53.893 52.037 -0.013 0.000 0.635 90 A CB -0.801 18.276 19.000 0.129 0.000 0.810 90 A HN 0.465 nan 8.150 nan 0.000 0.445 91 A N -0.758 121.850 122.820 -0.353 0.000 1.873 91 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 91 A C 2.308 179.693 177.584 -0.332 0.000 1.186 91 A CA 2.266 53.860 52.037 -0.737 0.000 0.616 91 A CB -1.372 17.560 19.000 -0.113 0.000 0.823 91 A HN 0.411 nan 8.150 nan 0.000 0.442 92 T N 1.023 115.564 114.554 -0.022 0.000 2.635 92 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 92 T C 2.323 177.043 174.700 0.034 0.000 1.040 92 T CA 2.402 64.578 62.100 0.125 0.000 1.156 92 T CB -0.600 68.306 68.868 0.064 0.000 0.863 92 T HN 0.786 nan 8.240 nan 0.000 0.430 93 S N 1.141 116.818 115.700 -0.038 0.000 2.383 93 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 93 S C 2.182 176.757 174.600 -0.041 0.000 1.026 93 S CA 1.486 59.676 58.200 -0.016 0.000 0.981 93 S CB -1.063 62.130 63.200 -0.012 0.000 0.818 93 S HN 0.491 nan 8.310 nan 0.000 0.472 94 T N 2.645 117.104 114.554 -0.159 0.000 2.737 94 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 94 T C 2.071 176.732 174.700 -0.067 0.000 1.038 94 T CA 1.413 63.425 62.100 -0.145 0.000 1.144 94 T CB -0.802 67.882 68.868 -0.307 0.000 0.866 94 T HN 0.448 nan 8.240 nan 0.000 0.434 95 V N 1.371 121.252 119.914 -0.055 0.000 2.407 95 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 95 V C 2.144 178.300 176.094 0.105 0.000 1.055 95 V CA 1.535 63.875 62.300 0.067 0.000 1.049 95 V CB -0.749 31.169 31.823 0.158 0.000 0.662 95 V HN 0.282 nan 8.190 nan 0.000 0.455 96 M N 0.373 120.040 119.600 0.112 0.000 2.267 96 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 96 M C 2.045 178.366 176.300 0.035 0.000 1.063 96 M CA 1.456 56.799 55.300 0.071 0.000 1.090 96 M CB -1.458 31.183 32.600 0.069 0.000 1.392 96 M HN 0.550 nan 8.290 nan 0.000 0.422 97 E N 0.079 120.301 120.200 0.036 0.000 2.516 97 E HA -0.055 4.295 4.350 -0.000 0.000 0.199 97 E C 1.970 178.595 176.600 0.042 0.000 1.069 97 E CA 0.207 56.629 56.400 0.036 0.000 0.876 97 E CB -0.260 29.465 29.700 0.041 0.000 0.843 97 E HN 0.519 nan 8.360 nan 0.000 0.530 98 L N 0.555 121.801 121.223 0.040 0.000 2.127 98 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 98 L C 1.209 178.090 176.870 0.018 0.000 1.089 98 L CA 0.732 55.593 54.840 0.035 0.000 0.757 98 L CB -0.275 41.806 42.059 0.036 0.000 0.899 98 L HN 0.134 nan 8.230 nan 0.000 0.434 99 L N 0.849 122.074 121.223 0.004 0.000 2.360 99 L HA 0.095 4.435 4.340 -0.000 0.000 0.276 99 L C -0.209 176.649 176.870 -0.020 0.000 1.121 99 L CA -0.608 54.218 54.840 -0.023 0.000 0.845 99 L CB 0.308 42.329 42.059 -0.063 0.000 1.143 99 L HN 0.036 nan 8.230 nan 0.000 0.452 100 D N 2.048 122.435 120.400 -0.022 0.000 2.400 100 D HA 0.179 4.819 4.640 -0.000 0.000 0.238 100 D C 0.433 176.714 176.300 -0.032 0.000 1.157 100 D CA 0.041 54.030 54.000 -0.019 0.000 0.889 100 D CB 0.820 41.608 40.800 -0.019 0.000 1.199 100 D HN 0.626 nan 8.370 nan 0.000 0.436 101 A N 0.802 123.609 122.820 -0.022 0.000 2.565 101 A HA 0.410 4.730 4.320 -0.000 0.000 0.237 101 A C 1.539 179.099 177.584 -0.040 0.000 1.053 101 A CA 0.639 52.660 52.037 -0.027 0.000 0.755 101 A CB -0.408 18.585 19.000 -0.012 0.000 0.980 101 A HN 0.968 nan 8.150 nan 0.000 0.506 102 G N 1.713 110.480 108.800 -0.055 0.000 2.179 102 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 102 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 102 G C 0.561 175.409 174.900 -0.086 0.000 0.977 102 G CA 0.482 45.544 45.100 -0.062 0.000 0.641 102 G HN 1.302 nan 8.290 nan 0.000 0.533 103 S N 0.675 116.308 115.700 -0.111 0.000 2.563 103 S HA 0.293 4.763 4.470 -0.000 0.000 0.284 103 S C 0.381 174.865 174.600 -0.194 0.000 1.331 103 S CA -0.159 57.962 58.200 -0.130 0.000 1.047 103 S CB 0.646 63.761 63.200 -0.141 0.000 0.859 103 S HN 0.474 nan 8.310 nan 0.000 0.514 104 H N 1.531 120.459 119.070 -0.237 0.000 2.502 104 H HA 0.532 5.088 4.556 -0.000 0.000 0.327 104 H C -1.272 173.867 175.328 -0.316 0.000 1.099 104 H CA -0.415 55.457 56.048 -0.293 0.000 1.323 104 H CB 0.719 30.367 29.762 -0.189 0.000 1.450 104 H HN 0.297 nan 8.280 nan 0.000 0.502 105 V N 5.911 125.164 119.914 -1.102 0.000 2.638 105 V HA 0.148 4.268 4.120 -0.000 0.000 0.306 105 V C -0.273 175.373 176.094 -0.747 0.000 1.052 105 V CA -0.893 60.922 62.300 -0.808 0.000 0.885 105 V CB 1.844 33.139 31.823 -0.880 0.000 0.999 105 V HN 0.518 nan 8.190 nan 0.000 0.424 106 V N 3.841 123.565 119.914 -0.317 0.000 2.432 106 V HA 0.805 4.925 4.120 -0.000 0.000 0.275 106 V C 0.475 176.620 176.094 0.084 0.000 1.043 106 V CA -0.099 62.164 62.300 -0.061 0.000 0.925 106 V CB 1.410 33.352 31.823 0.198 0.000 0.985 106 V HN 1.044 nan 8.190 nan 0.000 0.466 107 A N 5.355 128.271 122.820 0.159 0.000 2.365 107 A HA 0.825 5.145 4.320 -0.000 0.000 0.318 107 A C -0.398 177.427 177.584 0.402 0.000 1.091 107 A CA -0.875 51.399 52.037 0.396 0.000 0.763 107 A CB 1.327 20.702 19.000 0.624 0.000 1.248 107 A HN 0.814 nan 8.150 nan 0.000 0.442 108 M N 2.071 121.888 119.600 0.361 0.000 2.235 108 M HA 0.015 4.495 4.480 -0.000 0.000 0.336 108 M C 1.030 177.511 176.300 0.302 0.000 1.146 108 M CA 0.193 55.645 55.300 0.253 0.000 1.018 108 M CB 0.045 32.764 32.600 0.198 0.000 1.694 108 M HN 0.803 nan 8.290 nan 0.000 0.451 109 D N 1.364 121.891 120.400 0.211 0.000 2.183 109 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 109 D C -0.121 176.202 176.300 0.039 0.000 0.969 109 D CA 0.925 55.029 54.000 0.174 0.000 0.842 109 D CB -0.459 40.422 40.800 0.135 0.000 0.957 109 D HN 0.624 nan 8.370 nan 0.000 0.484 110 D N -0.310 120.116 120.400 0.043 0.000 2.373 110 D HA 0.401 5.041 4.640 -0.000 0.000 0.227 110 D C -1.326 174.997 176.300 0.039 0.000 1.091 110 D CA -0.600 53.399 54.000 -0.001 0.000 0.840 110 D CB 0.539 41.334 40.800 -0.008 0.000 1.060 110 D HN -0.085 nan 8.370 nan 0.000 0.502 111 L N 4.372 125.615 121.223 0.034 0.000 2.401 111 L HA 0.362 4.702 4.340 -0.000 0.000 0.266 111 L C -1.100 175.851 176.870 0.136 0.000 0.991 111 L CA -1.122 53.765 54.840 0.079 0.000 0.818 111 L CB 1.469 43.544 42.059 0.027 0.000 1.321 111 L HN 0.354 nan 8.230 nan 0.000 0.413 112 Y N 2.031 122.351 120.300 0.033 0.000 2.904 112 Y HA 0.148 4.698 4.550 0.000 0.000 0.336 112 Y C 1.360 177.130 175.900 -0.217 0.000 1.263 112 Y CA 1.038 59.129 58.100 -0.016 0.000 1.547 112 Y CB 1.091 39.545 38.460 -0.009 0.000 1.272 112 Y HN 0.784 nan 8.280 nan 0.000 0.596 113 G N 3.966 112.013 108.800 -1.255 0.000 2.432 113 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 113 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 113 G C 1.556 176.032 174.900 -0.706 0.000 1.135 113 G CA 0.635 45.180 45.100 -0.926 0.000 0.767 113 G HN 0.985 nan 8.290 nan 0.000 0.550 114 G N 0.209 108.334 108.800 -1.126 0.000 2.408 114 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 114 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 114 G C 1.826 176.559 174.900 -0.278 0.000 1.150 114 G CA 1.686 46.511 45.100 -0.459 0.000 0.776 114 G HN 0.382 nan 8.290 nan 0.000 0.542 115 T N 0.834 115.244 114.554 -0.240 0.000 2.737 115 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 115 T C 1.937 176.131 174.700 -0.843 0.000 1.038 115 T CA 0.995 62.721 62.100 -0.625 0.000 1.144 115 T CB -0.334 68.185 68.868 -0.581 0.000 0.866 115 T HN 0.197 nan 8.240 nan 0.000 0.434 116 F N 2.473 122.043 119.950 -0.633 0.000 2.087 116 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 116 F C 2.573 178.131 175.800 -0.404 0.000 1.100 116 F CA 1.644 59.329 58.000 -0.526 0.000 1.226 116 F CB -0.277 38.432 39.000 -0.485 0.000 0.983 116 F HN -0.069 nan 8.300 nan 0.000 0.479 117 R N 0.165 120.454 120.500 -0.351 0.000 2.081 117 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 117 R C 2.337 178.435 176.300 -0.338 0.000 1.131 117 R CA 1.839 57.740 56.100 -0.331 0.000 0.960 117 R CB -0.732 29.452 30.300 -0.193 0.000 0.856 117 R HN 0.481 nan 8.270 nan 0.000 0.436 118 L N 0.459 121.481 121.223 -0.334 0.000 2.093 118 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 118 L C 1.780 178.557 176.870 -0.154 0.000 1.085 118 L CA 1.506 56.215 54.840 -0.220 0.000 0.755 118 L CB -0.370 41.569 42.059 -0.200 0.000 0.904 118 L HN 0.084 nan 8.230 nan 0.000 0.435 119 F N 0.194 119.792 119.950 -0.587 0.000 2.039 119 F HA -0.094 4.433 4.527 -0.000 0.000 0.294 119 F C 2.712 178.028 175.800 -0.806 0.000 1.130 119 F CA 1.527 58.898 58.000 -1.047 0.000 1.189 119 F CB -1.223 36.794 39.000 -1.639 0.000 0.983 119 F HN 0.170 nan 8.300 nan 0.000 0.471 120 E N -0.164 119.720 120.200 -0.527 0.000 2.158 120 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 120 E C 1.912 178.372 176.600 -0.233 0.000 0.982 120 E CA 0.857 57.034 56.400 -0.372 0.000 0.823 120 E CB 0.117 29.388 29.700 -0.714 0.000 0.766 120 E HN -0.018 nan 8.360 nan 0.000 0.468 121 R N -0.777 119.569 120.500 -0.256 0.000 2.365 121 R HA 0.259 4.599 4.340 -0.000 0.000 0.223 121 R C 1.272 177.523 176.300 -0.081 0.000 0.899 121 R CA 0.238 56.254 56.100 -0.139 0.000 1.059 121 R CB 0.693 30.910 30.300 -0.138 0.000 1.086 121 R HN 0.120 nan 8.270 nan 0.000 0.522 122 V N 0.007 119.876 119.914 -0.075 0.000 3.001 122 V HA 0.100 4.220 4.120 -0.000 0.000 0.228 122 V C 1.973 178.074 176.094 0.011 0.000 1.204 122 V CA 0.328 62.610 62.300 -0.029 0.000 1.247 122 V CB 0.065 31.868 31.823 -0.032 0.000 1.093 122 V HN 0.008 nan 8.190 nan 0.000 0.504 123 R N 0.464 120.990 120.500 0.043 0.000 2.153 123 R HA 0.059 4.399 4.340 -0.000 0.000 0.218 123 R C 2.179 178.556 176.300 0.128 0.000 1.072 123 R CA 0.786 56.944 56.100 0.096 0.000 0.990 123 R CB -0.576 29.811 30.300 0.145 0.000 0.889 123 R HN 0.423 nan 8.270 nan 0.000 0.452 124 R N 1.849 122.450 120.500 0.168 0.000 2.133 124 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 124 R C 2.314 178.650 176.300 0.061 0.000 1.137 124 R CA 2.602 58.781 56.100 0.132 0.000 0.947 124 R CB -0.113 30.262 30.300 0.124 0.000 0.865 124 R HN 0.248 nan 8.270 nan 0.000 0.437 125 R N -0.617 119.907 120.500 0.040 0.000 2.093 125 R HA -0.010 4.330 4.340 -0.000 0.000 0.224 125 R C 2.121 178.434 176.300 0.021 0.000 1.101 125 R CA 1.681 57.796 56.100 0.025 0.000 0.979 125 R CB -0.799 29.510 30.300 0.016 0.000 0.877 125 R HN 0.345 nan 8.270 nan 0.000 0.441 126 T N -3.141 111.428 114.554 0.024 0.000 3.043 126 T HA 0.279 4.629 4.350 -0.000 0.000 0.263 126 T C 1.576 176.289 174.700 0.021 0.000 1.094 126 T CA 0.419 62.531 62.100 0.021 0.000 1.127 126 T CB 0.398 69.278 68.868 0.021 0.000 0.905 126 T HN 0.326 nan 8.240 nan 0.000 0.490 127 A N 0.069 122.904 122.820 0.024 0.000 2.551 127 A HA 0.704 5.024 4.320 -0.000 0.000 0.252 127 A C 1.677 179.259 177.584 -0.003 0.000 1.199 127 A CA 0.302 52.346 52.037 0.012 0.000 0.972 127 A CB -0.378 18.631 19.000 0.015 0.000 1.153 127 A HN 1.138 nan 8.150 nan 0.000 0.559 128 G N 0.509 109.312 108.800 0.005 0.000 2.321 128 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 128 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 128 G C 0.199 175.074 174.900 -0.042 0.000 1.018 128 G CA 0.728 45.824 45.100 -0.007 0.000 0.855 128 G HN 0.546 nan 8.290 nan 0.000 0.507 129 L N -0.356 120.836 121.223 -0.051 0.000 2.461 129 L HA 0.412 4.752 4.340 -0.000 0.000 0.272 129 L C 0.396 177.117 176.870 -0.247 0.000 1.197 129 L CA -0.284 54.423 54.840 -0.221 0.000 0.836 129 L CB 0.692 42.564 42.059 -0.311 0.000 1.105 129 L HN 0.174 nan 8.230 nan 0.000 0.477 130 D N 1.432 121.571 120.400 -0.435 0.000 2.502 130 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 130 D C -1.306 174.649 176.300 -0.574 0.000 1.092 130 D CA -0.233 53.607 54.000 -0.266 0.000 0.839 130 D CB 1.022 41.796 40.800 -0.043 0.000 1.264 130 D HN 0.066 nan 8.370 nan 0.000 0.511 131 F N 1.339 121.157 119.950 -0.220 0.000 2.495 131 F HA 0.475 5.002 4.527 -0.000 0.000 0.327 131 F C 0.413 175.946 175.800 -0.446 0.000 1.103 131 F CA -0.711 56.990 58.000 -0.499 0.000 0.949 131 F CB 2.199 40.777 39.000 -0.704 0.000 1.142 131 F HN 0.082 nan 8.300 nan 0.000 0.457 132 S N 3.065 118.599 115.700 -0.276 0.000 2.449 132 S HA 0.557 5.027 4.470 -0.000 0.000 0.310 132 S C -1.058 173.413 174.600 -0.216 0.000 1.096 132 S CA -0.556 57.575 58.200 -0.116 0.000 1.095 132 S CB 0.443 63.732 63.200 0.149 0.000 1.007 132 S HN 0.294 nan 8.310 nan 0.000 0.474 133 F N 2.362 122.448 119.950 0.227 0.000 2.390 133 F HA 0.484 5.011 4.527 -0.000 0.000 0.361 133 F C 0.171 176.067 175.800 0.159 0.000 1.124 133 F CA -0.715 57.410 58.000 0.208 0.000 1.149 133 F CB 0.659 39.794 39.000 0.226 0.000 1.160 133 F HN 0.166 nan 8.300 nan 0.000 0.501 134 V N 2.089 122.177 119.914 0.291 0.000 2.680 134 V HA 0.212 4.332 4.120 -0.000 0.000 0.309 134 V C -0.445 175.748 176.094 0.165 0.000 1.052 134 V CA -1.058 61.365 62.300 0.205 0.000 0.908 134 V CB 2.151 34.094 31.823 0.201 0.000 1.001 134 V HN 0.487 nan 8.190 nan 0.000 0.431 135 D N 3.079 123.556 120.400 0.128 0.000 2.429 135 D HA 0.061 4.701 4.640 -0.000 0.000 0.253 135 D C 0.817 177.163 176.300 0.076 0.000 1.294 135 D CA -0.108 53.947 54.000 0.092 0.000 1.063 135 D CB 0.587 41.432 40.800 0.075 0.000 1.096 135 D HN 0.279 nan 8.370 nan 0.000 0.516 136 L N 2.995 124.248 121.223 0.049 0.000 2.549 136 L HA -0.077 4.263 4.340 -0.000 0.000 0.229 136 L C 2.575 179.451 176.870 0.009 0.000 1.158 136 L CA 1.100 55.935 54.840 -0.007 0.000 0.842 136 L CB -1.456 40.550 42.059 -0.089 0.000 0.952 136 L HN 0.527 nan 8.230 nan 0.000 0.452 137 T N -4.202 110.371 114.554 0.032 0.000 3.051 137 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 137 T C 0.766 175.495 174.700 0.047 0.000 1.127 137 T CA 0.512 62.634 62.100 0.037 0.000 1.107 137 T CB -0.213 68.679 68.868 0.039 0.000 0.898 137 T HN 0.199 nan 8.240 nan 0.000 0.517 138 D N 1.493 121.930 120.400 0.060 0.000 2.461 138 D HA 0.383 5.023 4.640 -0.000 0.000 0.240 138 D C -2.119 174.246 176.300 0.107 0.000 1.094 138 D CA -2.774 51.270 54.000 0.073 0.000 0.868 138 D CB 1.971 42.812 40.800 0.068 0.000 1.062 138 D HN -0.050 nan 8.370 nan 0.000 0.530 139 P HA -0.079 nan 4.420 nan 0.000 0.218 139 P C 1.091 178.486 177.300 0.158 0.000 1.148 139 P CA 1.090 64.294 63.100 0.174 0.000 0.822 139 P CB 0.303 32.085 31.700 0.137 0.000 0.784 140 A N 0.363 123.242 122.820 0.099 0.000 1.883 140 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 140 A C 2.357 179.983 177.584 0.070 0.000 1.186 140 A CA 2.232 54.308 52.037 0.065 0.000 0.624 140 A CB -1.651 17.378 19.000 0.049 0.000 0.822 140 A HN 0.200 nan 8.150 nan 0.000 0.444 141 A N -1.109 121.769 122.820 0.098 0.000 1.908 141 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 141 A C 2.042 179.728 177.584 0.170 0.000 1.181 141 A CA 1.860 53.965 52.037 0.113 0.000 0.627 141 A CB -0.726 18.342 19.000 0.114 0.000 0.818 141 A HN 0.729 nan 8.150 nan 0.000 0.445 142 F N 0.829 120.790 119.950 0.018 0.000 2.084 142 F HA -0.098 4.429 4.527 -0.000 0.000 0.296 142 F C 2.062 177.839 175.800 -0.038 0.000 1.111 142 F CA 1.904 59.906 58.000 0.003 0.000 1.224 142 F CB -0.613 38.391 39.000 0.007 0.000 0.991 142 F HN 0.162 nan 8.300 nan 0.000 0.471 143 K N 0.177 120.443 120.400 -0.224 0.000 2.059 143 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 143 K C 2.230 178.699 176.600 -0.218 0.000 1.050 143 K CA 1.669 57.756 56.287 -0.333 0.000 0.927 143 K CB -0.658 31.753 32.500 -0.149 0.000 0.714 143 K HN 0.359 nan 8.250 nan 0.000 0.447 144 A N 0.942 123.710 122.820 -0.086 0.000 2.014 144 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 144 A C 2.206 179.766 177.584 -0.040 0.000 1.163 144 A CA 1.432 53.440 52.037 -0.048 0.000 0.652 144 A CB -0.374 18.622 19.000 -0.006 0.000 0.808 144 A HN 0.334 nan 8.150 nan 0.000 0.449 145 A N -0.380 122.433 122.820 -0.012 0.000 2.119 145 A HA 0.252 4.572 4.320 -0.000 0.000 0.216 145 A C 0.967 178.553 177.584 0.003 0.000 1.152 145 A CA 0.067 52.128 52.037 0.040 0.000 0.708 145 A CB -0.379 18.711 19.000 0.150 0.000 0.805 145 A HN 0.455 nan 8.150 nan 0.000 0.460 146 I N 0.731 121.216 120.570 -0.142 0.000 2.556 146 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 146 I C 0.721 176.763 176.117 -0.126 0.000 1.114 146 I CA 0.144 61.333 61.300 -0.185 0.000 1.418 146 I CB 0.530 38.214 38.000 -0.526 0.000 1.394 146 I HN 0.285 nan 8.210 nan 0.000 0.552 147 R N 3.425 123.876 120.500 -0.082 0.000 2.943 147 R HA 0.590 4.930 4.340 -0.000 0.000 0.246 147 R C 0.941 177.221 176.300 -0.034 0.000 1.201 147 R CA -0.330 55.708 56.100 -0.103 0.000 1.056 147 R CB 0.992 31.153 30.300 -0.233 0.000 1.243 147 R HN 0.679 nan 8.270 nan 0.000 0.498 148 A N 0.795 123.591 122.820 -0.040 0.000 1.877 148 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 148 A C 1.136 178.715 177.584 -0.009 0.000 1.186 148 A CA 2.065 54.092 52.037 -0.016 0.000 0.620 148 A CB -0.616 18.368 19.000 -0.027 0.000 0.822 148 A HN 0.847 nan 8.150 nan 0.000 0.443 149 D N -0.330 120.055 120.400 -0.024 0.000 2.324 149 D HA 0.011 4.651 4.640 -0.000 0.000 0.235 149 D C -0.191 176.131 176.300 0.037 0.000 1.095 149 D CA 0.423 54.419 54.000 -0.008 0.000 0.871 149 D CB -1.044 39.740 40.800 -0.027 0.000 0.906 149 D HN 0.191 nan 8.370 nan 0.000 0.522 150 T N 1.069 115.670 114.554 0.079 0.000 2.814 150 T HA 0.141 4.491 4.350 -0.000 0.000 0.297 150 T C 1.096 175.820 174.700 0.040 0.000 0.956 150 T CA -0.392 61.789 62.100 0.134 0.000 1.123 150 T CB 1.755 70.751 68.868 0.214 0.000 0.902 150 T HN -0.047 nan 8.240 nan 0.000 0.528 151 K N 2.013 122.403 120.400 -0.016 0.000 2.391 151 K HA 0.337 4.657 4.320 -0.000 0.000 0.197 151 K C 0.244 176.846 176.600 0.004 0.000 1.087 151 K CA 0.217 56.496 56.287 -0.013 0.000 1.012 151 K CB 0.728 33.204 32.500 -0.040 0.000 0.925 151 K HN 0.577 nan 8.250 nan 0.000 0.547 152 M N 0.927 120.521 119.600 -0.010 0.000 2.470 152 M HA 0.267 4.746 4.480 -0.000 0.000 0.285 152 M C -1.772 174.569 176.300 0.069 0.000 1.213 152 M CA -0.807 54.511 55.300 0.031 0.000 0.901 152 M CB 2.350 34.957 32.600 0.011 0.000 1.718 152 M HN -0.207 nan 8.290 nan 0.000 0.469 153 V N 1.521 121.501 119.914 0.111 0.000 2.495 153 V HA 0.595 4.715 4.120 -0.000 0.000 0.298 153 V C -1.240 174.937 176.094 0.138 0.000 1.031 153 V CA -0.575 61.781 62.300 0.094 0.000 0.871 153 V CB 1.755 33.534 31.823 -0.073 0.000 0.988 153 V HN 0.899 nan 8.190 nan 0.000 0.432 154 W N 6.149 127.457 121.300 0.014 0.000 2.361 154 W HA 0.708 5.368 4.660 0.000 0.000 0.314 154 W C -1.534 175.021 176.519 0.060 0.000 1.041 154 W CA -1.101 56.298 57.345 0.090 0.000 1.241 154 W CB 1.525 31.139 29.460 0.256 0.000 1.279 154 W HN 0.548 nan 8.180 nan 0.000 0.436 155 I N 5.146 125.606 120.570 -0.184 0.000 2.377 155 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 155 I C 0.153 176.174 176.117 -0.161 0.000 0.987 155 I CA -0.588 60.641 61.300 -0.119 0.000 1.185 155 I CB 1.944 39.841 38.000 -0.173 0.000 1.341 155 I HN 0.242 nan 8.210 nan 0.000 0.455 156 E N 3.582 123.784 120.200 0.004 0.000 2.166 156 E HA 0.514 4.864 4.350 -0.000 0.000 0.275 156 E C -0.881 175.680 176.600 -0.066 0.000 0.941 156 E CA -0.410 55.968 56.400 -0.037 0.000 0.784 156 E CB 2.216 31.930 29.700 0.024 0.000 1.115 156 E HN 0.508 nan 8.360 nan 0.000 0.399 157 T N 3.933 118.432 114.554 -0.090 0.000 3.395 157 T HA 0.312 4.662 4.350 -0.000 0.000 0.330 157 T C -2.877 171.807 174.700 -0.026 0.000 1.076 157 T CA -1.684 60.382 62.100 -0.056 0.000 1.070 157 T CB 1.212 70.054 68.868 -0.043 0.000 1.119 157 T HN 0.100 nan 8.240 nan 0.000 0.462 158 P HA 0.219 nan 4.420 nan 0.000 0.269 158 P C 0.051 177.274 177.300 -0.128 0.000 1.215 158 P CA -0.104 63.014 63.100 0.029 0.000 0.780 158 P CB 0.358 32.159 31.700 0.168 0.000 0.898 159 T N -0.753 113.747 114.554 -0.089 0.000 2.904 159 T HA 0.214 4.564 4.350 -0.000 0.000 0.290 159 T C 0.203 174.740 174.700 -0.273 0.000 1.018 159 T CA -0.629 61.362 62.100 -0.181 0.000 1.075 159 T CB 0.205 69.043 68.868 -0.050 0.000 0.986 159 T HN 0.194 nan 8.240 nan 0.000 0.523 160 N N 2.865 121.356 118.700 -0.349 0.000 2.457 160 N HA 0.364 5.104 4.740 -0.000 0.000 0.250 160 N C -2.056 173.427 175.510 -0.044 0.000 0.982 160 N CA -2.518 50.446 53.050 -0.144 0.000 0.941 160 N CB 1.583 40.028 38.487 -0.070 0.000 1.120 160 N HN 0.449 nan 8.380 nan 0.000 0.505 161 P HA 0.187 nan 4.420 nan 0.000 0.282 161 P C 0.539 177.875 177.300 0.061 0.000 1.373 161 P CA 0.069 63.174 63.100 0.008 0.000 1.001 161 P CB 0.553 32.165 31.700 -0.146 0.000 1.489 162 M N -0.309 119.304 119.600 0.023 0.000 2.502 162 M HA 0.239 4.719 4.480 -0.000 0.000 0.243 162 M C 0.973 177.341 176.300 0.114 0.000 1.130 162 M CA -0.026 55.297 55.300 0.039 0.000 1.055 162 M CB -0.847 31.749 32.600 -0.006 0.000 1.457 162 M HN -0.089 nan 8.290 nan 0.000 0.488 163 L N 0.237 121.552 121.223 0.153 0.000 3.865 163 L HA -0.272 4.068 4.340 -0.000 0.000 0.408 163 L C 0.067 177.092 176.870 0.257 0.000 1.209 163 L CA 0.406 55.380 54.840 0.222 0.000 0.940 163 L CB -1.909 40.318 42.059 0.279 0.000 1.971 163 L HN 0.292 nan 8.230 nan 0.000 0.899 164 K N 0.776 121.265 120.400 0.149 0.000 2.401 164 K HA 0.401 4.721 4.320 -0.000 0.000 0.278 164 K C -0.002 176.665 176.600 0.110 0.000 1.018 164 K CA -0.374 55.994 56.287 0.135 0.000 0.981 164 K CB 1.067 33.604 32.500 0.061 0.000 0.933 164 K HN -0.004 nan 8.250 nan 0.000 0.477 165 L N 2.195 123.495 121.223 0.128 0.000 2.334 165 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 165 L C -0.450 176.442 176.870 0.036 0.000 1.036 165 L CA -0.494 54.382 54.840 0.060 0.000 0.807 165 L CB 1.793 43.879 42.059 0.045 0.000 1.231 165 L HN 0.367 nan 8.230 nan 0.000 0.438 166 V N 1.360 121.277 119.914 0.004 0.000 2.604 166 V HA 0.442 4.562 4.120 -0.000 0.000 0.305 166 V C -0.725 175.357 176.094 -0.020 0.000 1.043 166 V CA -0.674 61.619 62.300 -0.012 0.000 0.888 166 V CB 1.862 33.663 31.823 -0.036 0.000 0.995 166 V HN 0.753 nan 8.190 nan 0.000 0.429 167 D N 5.093 125.486 120.400 -0.012 0.000 2.441 167 D HA 0.180 4.820 4.640 -0.000 0.000 0.243 167 D C 1.272 177.559 176.300 -0.021 0.000 1.257 167 D CA 0.295 54.289 54.000 -0.009 0.000 1.027 167 D CB 0.446 41.251 40.800 0.008 0.000 1.084 167 D HN 0.646 nan 8.370 nan 0.000 0.514 168 I N 2.582 123.132 120.570 -0.034 0.000 2.118 168 I HA -0.339 3.830 4.170 -0.000 0.000 0.241 168 I C 2.460 178.563 176.117 -0.023 0.000 1.070 168 I CA 1.325 62.597 61.300 -0.046 0.000 1.327 168 I CB -0.187 37.780 38.000 -0.054 0.000 1.034 168 I HN 0.391 nan 8.210 nan 0.000 0.405 169 A N 0.705 123.519 122.820 -0.011 0.000 1.892 169 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 169 A C 2.533 180.133 177.584 0.026 0.000 1.188 169 A CA 2.263 54.303 52.037 0.006 0.000 0.631 169 A CB -0.988 18.015 19.000 0.004 0.000 0.822 169 A HN 0.471 nan 8.150 nan 0.000 0.447 170 A N -0.249 122.588 122.820 0.029 0.000 1.873 170 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 170 A C 2.023 179.662 177.584 0.092 0.000 1.186 170 A CA 1.595 53.665 52.037 0.055 0.000 0.616 170 A CB -0.481 18.550 19.000 0.050 0.000 0.823 170 A HN 0.402 nan 8.150 nan 0.000 0.442 171 I N 0.138 120.747 120.570 0.065 0.000 2.226 171 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 171 I C 2.912 179.118 176.117 0.149 0.000 1.100 171 I CA 1.445 62.794 61.300 0.082 0.000 1.374 171 I CB -1.594 36.320 38.000 -0.142 0.000 1.057 171 I HN 0.366 nan 8.210 nan 0.000 0.413 172 A N 0.466 123.328 122.820 0.071 0.000 1.972 172 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 172 A C 2.534 180.184 177.584 0.109 0.000 1.169 172 A CA 1.578 53.662 52.037 0.078 0.000 0.635 172 A CB -0.826 18.192 19.000 0.030 0.000 0.810 172 A HN 0.255 nan 8.150 nan 0.000 0.446 173 V N 0.164 120.140 119.914 0.103 0.000 2.295 173 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 173 V C 2.408 178.583 176.094 0.134 0.000 1.049 173 V CA 2.103 64.460 62.300 0.095 0.000 1.024 173 V CB -0.729 31.138 31.823 0.073 0.000 0.648 173 V HN 0.582 nan 8.190 nan 0.000 0.447 174 I N 0.584 121.267 120.570 0.188 0.000 2.179 174 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 174 I C 2.687 178.947 176.117 0.239 0.000 1.088 174 I CA 1.564 62.986 61.300 0.203 0.000 1.357 174 I CB -0.664 37.441 38.000 0.175 0.000 1.051 174 I HN 0.265 nan 8.210 nan 0.000 0.409 175 A N 0.733 123.747 122.820 0.323 0.000 1.877 175 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 175 A C 2.450 180.146 177.584 0.187 0.000 1.186 175 A CA 1.925 54.136 52.037 0.289 0.000 0.620 175 A CB -0.699 18.496 19.000 0.325 0.000 0.822 175 A HN 0.340 nan 8.150 nan 0.000 0.443 176 R N 0.329 120.913 120.500 0.141 0.000 2.083 176 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 176 R C 2.244 178.586 176.300 0.070 0.000 1.137 176 R CA 2.174 58.326 56.100 0.088 0.000 0.951 176 R CB -0.262 30.077 30.300 0.065 0.000 0.851 176 R HN 0.576 nan 8.270 nan 0.000 0.434 177 K N -0.725 119.721 120.400 0.076 0.000 2.211 177 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 177 K C 0.846 177.378 176.600 -0.114 0.000 1.047 177 K CA 2.061 58.343 56.287 -0.009 0.000 0.935 177 K CB -0.207 32.284 32.500 -0.015 0.000 0.728 177 K HN 0.394 nan 8.250 nan 0.000 0.452 178 H N -0.686 118.372 119.070 -0.020 0.000 2.517 178 H HA 0.310 4.865 4.556 -0.000 0.000 0.282 178 H C 0.663 175.985 175.328 -0.010 0.000 1.023 178 H CA 0.359 56.388 56.048 -0.031 0.000 1.169 178 H CB 0.755 30.475 29.762 -0.070 0.000 1.454 178 H HN 0.489 nan 8.280 nan 0.000 0.556 179 G N 0.841 109.690 108.800 0.081 0.000 2.198 179 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 179 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 179 G C -0.001 174.941 174.900 0.069 0.000 1.025 179 G CA 0.168 45.301 45.100 0.055 0.000 0.769 179 G HN 0.309 nan 8.290 nan 0.000 0.507 180 L N -0.524 120.759 121.223 0.100 0.000 2.399 180 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 180 L C 1.212 178.130 176.870 0.080 0.000 1.114 180 L CA -0.963 53.933 54.840 0.095 0.000 0.804 180 L CB 0.969 43.113 42.059 0.140 0.000 1.146 180 L HN -0.004 nan 8.230 nan 0.000 0.451 181 L N 1.272 122.532 121.223 0.062 0.000 2.371 181 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 181 L C 0.151 177.054 176.870 0.056 0.000 1.124 181 L CA 0.023 54.894 54.840 0.052 0.000 0.816 181 L CB 1.105 43.190 42.059 0.043 0.000 1.129 181 L HN 0.602 nan 8.230 nan 0.000 0.448 182 T N 2.578 117.150 114.554 0.030 0.000 2.758 182 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 182 T C -0.323 174.336 174.700 -0.068 0.000 0.981 182 T CA -0.431 61.664 62.100 -0.008 0.000 0.965 182 T CB 1.472 70.333 68.868 -0.012 0.000 0.927 182 T HN 0.186 nan 8.240 nan 0.000 0.448 183 V N 4.053 123.882 119.914 -0.141 0.000 2.540 183 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 183 V C -0.333 175.453 176.094 -0.514 0.000 1.035 183 V CA -0.808 61.296 62.300 -0.326 0.000 0.873 183 V CB 1.976 33.548 31.823 -0.419 0.000 0.992 183 V HN 0.701 nan 8.190 nan 0.000 0.428 184 V N 3.186 122.825 119.914 -0.457 0.000 2.409 184 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 184 V C -0.191 175.608 176.094 -0.491 0.000 1.020 184 V CA -0.616 61.422 62.300 -0.436 0.000 0.848 184 V CB 1.780 33.450 31.823 -0.255 0.000 0.990 184 V HN 0.887 nan 8.190 nan 0.000 0.430 185 D N 3.971 124.060 120.400 -0.520 0.000 2.342 185 D HA 0.039 4.679 4.640 -0.000 0.000 0.260 185 D C 0.547 176.703 176.300 -0.241 0.000 1.278 185 D CA 0.312 54.130 54.000 -0.304 0.000 0.910 185 D CB 0.661 41.420 40.800 -0.067 0.000 1.079 185 D HN 0.543 nan 8.370 nan 0.000 0.496 186 N N 2.131 120.615 118.700 -0.359 0.000 2.235 186 N HA 0.023 4.763 4.740 -0.000 0.000 0.209 186 N C 1.032 176.483 175.510 -0.099 0.000 1.122 186 N CA -0.041 52.835 53.050 -0.291 0.000 0.845 186 N CB 0.373 38.626 38.487 -0.389 0.000 1.004 186 N HN 0.235 nan 8.380 nan 0.000 0.499 187 T N -0.054 114.513 114.554 0.023 0.000 2.653 187 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 187 T C 1.185 176.186 174.700 0.503 0.000 1.035 187 T CA 1.359 63.675 62.100 0.359 0.000 1.154 187 T CB -0.320 68.732 68.868 0.307 0.000 0.862 187 T HN 0.194 nan 8.240 nan 0.000 0.441 188 F N 1.211 121.237 119.950 0.128 0.000 2.163 188 F HA 0.214 4.741 4.527 -0.000 0.000 0.297 188 F C 2.575 178.303 175.800 -0.120 0.000 1.094 188 F CA 0.143 58.201 58.000 0.097 0.000 1.290 188 F CB -1.155 37.899 39.000 0.091 0.000 1.017 188 F HN 0.152 nan 8.300 nan 0.000 0.483 189 A N -0.451 122.443 122.820 0.122 0.000 1.855 189 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 189 A C 0.978 178.521 177.584 -0.069 0.000 1.195 189 A CA 1.259 53.286 52.037 -0.017 0.000 0.610 189 A CB -0.962 18.042 19.000 0.006 0.000 0.837 189 A HN 0.588 nan 8.150 nan 0.000 0.444 190 S N -3.078 112.673 115.700 0.085 0.000 3.661 190 S HA -0.073 4.397 4.470 -0.000 0.000 0.772 190 S C -2.092 172.577 174.600 0.116 0.000 1.194 190 S CA 0.231 58.517 58.200 0.143 0.000 1.148 190 S CB -1.809 61.379 63.200 -0.020 0.000 0.564 190 S HN 0.129 nan 8.310 nan 0.000 0.482 191 P HA -0.039 nan 4.420 nan 0.000 0.226 191 P C 1.592 178.900 177.300 0.013 0.000 1.146 191 P CA 1.402 64.539 63.100 0.061 0.000 0.773 191 P CB -0.096 31.627 31.700 0.038 0.000 0.772 192 M N -1.575 118.022 119.600 -0.004 0.000 2.200 192 M HA -0.011 4.469 4.480 -0.000 0.000 0.265 192 M C 1.928 178.202 176.300 -0.043 0.000 1.066 192 M CA 1.508 56.795 55.300 -0.022 0.000 1.127 192 M CB -1.308 31.278 32.600 -0.022 0.000 1.379 192 M HN 0.047 nan 8.290 nan 0.000 0.420 193 L N -0.862 120.328 121.223 -0.055 0.000 2.408 193 L HA 0.089 4.429 4.340 -0.000 0.000 0.215 193 L C 0.889 177.714 176.870 -0.075 0.000 1.081 193 L CA 0.145 54.933 54.840 -0.086 0.000 0.840 193 L CB -0.023 41.970 42.059 -0.110 0.000 1.002 193 L HN 0.344 nan 8.230 nan 0.000 0.468 194 Q N -0.389 119.386 119.800 -0.042 0.000 2.527 194 Q HA 0.429 4.769 4.340 -0.000 0.000 0.280 194 Q C -1.132 174.861 176.000 -0.011 0.000 0.977 194 Q CA -0.864 54.917 55.803 -0.036 0.000 0.837 194 Q CB 2.058 30.768 28.738 -0.046 0.000 1.454 194 Q HN -0.026 nan 8.270 nan 0.000 0.387 195 R N 1.892 122.383 120.500 -0.015 0.000 2.443 195 R HA 0.317 4.657 4.340 -0.000 0.000 0.287 195 R C -2.162 174.127 176.300 -0.017 0.000 1.425 195 R CA -1.633 54.464 56.100 -0.004 0.000 1.300 195 R CB 1.135 31.433 30.300 -0.003 0.000 1.129 195 R HN 0.495 nan 8.270 nan 0.000 0.577 196 P HA -0.186 nan 4.420 nan 0.000 0.218 196 P C 0.750 178.030 177.300 -0.034 0.000 1.146 196 P CA 1.121 64.193 63.100 -0.047 0.000 0.813 196 P CB 0.277 31.928 31.700 -0.081 0.000 0.778 197 L N -0.547 120.663 121.223 -0.020 0.000 2.079 197 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 197 L C 2.331 179.196 176.870 -0.008 0.000 1.081 197 L CA 1.998 56.831 54.840 -0.011 0.000 0.752 197 L CB -1.203 40.857 42.059 0.001 0.000 0.896 197 L HN 0.131 nan 8.230 nan 0.000 0.433 198 S N -0.606 115.088 115.700 -0.009 0.000 2.607 198 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 198 S C 1.395 175.989 174.600 -0.010 0.000 0.969 198 S CA 0.368 58.562 58.200 -0.009 0.000 0.927 198 S CB -0.235 62.959 63.200 -0.009 0.000 0.772 198 S HN 0.451 nan 8.310 nan 0.000 0.533 199 L N 0.425 121.640 121.223 -0.014 0.000 2.857 199 L HA 0.480 4.820 4.340 -0.000 0.000 0.249 199 L C 1.615 178.480 176.870 -0.009 0.000 1.172 199 L CA 0.184 55.015 54.840 -0.014 0.000 0.980 199 L CB 0.097 42.142 42.059 -0.023 0.000 1.299 199 L HN 0.499 nan 8.230 nan 0.000 0.535 200 G N 0.202 108.998 108.800 -0.006 0.000 2.194 200 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 200 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 200 G C 0.522 175.419 174.900 -0.005 0.000 0.987 200 G CA -0.090 45.011 45.100 0.001 0.000 0.635 200 G HN 0.475 nan 8.290 nan 0.000 0.520 201 A N 0.372 123.177 122.820 -0.024 0.000 2.531 201 A HA 0.463 4.783 4.320 -0.000 0.000 0.236 201 A C 1.261 178.833 177.584 -0.019 0.000 1.062 201 A CA 1.154 53.168 52.037 -0.039 0.000 0.760 201 A CB 0.253 19.210 19.000 -0.072 0.000 0.995 201 A HN 0.269 nan 8.150 nan 0.000 0.501 202 D N 0.538 120.929 120.400 -0.016 0.000 2.162 202 D HA 0.114 4.754 4.640 -0.000 0.000 0.205 202 D C -0.002 176.302 176.300 0.008 0.000 0.964 202 D CA 1.281 55.283 54.000 0.004 0.000 0.847 202 D CB -0.005 40.804 40.800 0.015 0.000 0.988 202 D HN 0.423 nan 8.370 nan 0.000 0.480 203 L N 0.111 121.323 121.223 -0.020 0.000 2.354 203 L HA 0.428 4.768 4.340 -0.000 0.000 0.264 203 L C -0.458 176.364 176.870 -0.080 0.000 1.008 203 L CA -0.883 53.950 54.840 -0.013 0.000 0.819 203 L CB 2.656 44.721 42.059 0.011 0.000 1.339 203 L HN -0.358 nan 8.230 nan 0.000 0.420 204 V N 2.061 121.946 119.914 -0.049 0.000 2.495 204 V HA 0.640 4.760 4.120 -0.000 0.000 0.298 204 V C -0.496 175.550 176.094 -0.079 0.000 1.031 204 V CA -0.675 61.555 62.300 -0.115 0.000 0.871 204 V CB 2.223 34.004 31.823 -0.069 0.000 0.988 204 V HN 0.472 nan 8.190 nan 0.000 0.432 205 V N 4.302 124.098 119.914 -0.196 0.000 2.628 205 V HA 0.580 4.700 4.120 -0.000 0.000 0.306 205 V C -0.895 175.096 176.094 -0.172 0.000 1.045 205 V CA -0.616 61.639 62.300 -0.074 0.000 0.905 205 V CB 2.024 33.832 31.823 -0.024 0.000 0.997 205 V HN 0.970 nan 8.190 nan 0.000 0.436 206 H N 0.880 120.015 119.070 0.108 0.000 2.768 206 H HA 0.440 4.996 4.556 -0.000 0.000 0.371 206 H C -0.259 175.150 175.328 0.135 0.000 1.151 206 H CA -0.374 55.746 56.048 0.120 0.000 1.165 206 H CB 1.863 31.703 29.762 0.131 0.000 1.722 206 H HN 0.597 nan 8.280 nan 0.000 0.543 207 S N 1.821 117.667 115.700 0.244 0.000 2.405 207 S HA 0.290 4.760 4.470 -0.000 0.000 0.291 207 S C 1.139 175.865 174.600 0.211 0.000 1.137 207 S CA -0.115 58.191 58.200 0.175 0.000 1.061 207 S CB -0.085 63.152 63.200 0.061 0.000 1.001 207 S HN 0.771 nan 8.310 nan 0.000 0.507 208 A N 4.572 127.523 122.820 0.218 0.000 2.066 208 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 208 A C 2.099 179.761 177.584 0.129 0.000 1.157 208 A CA 1.621 53.778 52.037 0.199 0.000 0.670 208 A CB -1.070 18.102 19.000 0.286 0.000 0.804 208 A HN 0.793 nan 8.150 nan 0.000 0.453 209 T N 0.305 114.924 114.554 0.107 0.000 2.760 209 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 209 T C 1.614 176.323 174.700 0.016 0.000 1.047 209 T CA 1.902 64.037 62.100 0.059 0.000 1.139 209 T CB -0.132 68.766 68.868 0.051 0.000 0.855 209 T HN 0.395 nan 8.240 nan 0.000 0.471 210 K N 0.252 120.663 120.400 0.019 0.000 3.502 210 K HA 0.318 4.638 4.320 -0.000 0.000 0.163 210 K C 1.736 178.263 176.600 -0.121 0.000 1.142 210 K CA 0.496 56.721 56.287 -0.103 0.000 1.539 210 K CB -1.170 31.298 32.500 -0.054 0.000 2.125 210 K HN 0.197 nan 8.250 nan 0.000 0.491 211 Y N 1.260 121.567 120.300 0.013 0.000 2.263 211 Y HA 0.018 4.568 4.550 0.000 0.000 0.292 211 Y C 2.125 178.045 175.900 0.033 0.000 1.130 211 Y CA 0.919 59.020 58.100 0.001 0.000 1.179 211 Y CB -0.391 38.065 38.460 -0.007 0.000 0.998 211 Y HN 0.041 nan 8.280 nan 0.000 0.532 212 L N -0.180 121.149 121.223 0.177 0.000 2.012 212 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 212 L C 2.183 179.117 176.870 0.108 0.000 1.073 212 L CA 2.151 57.053 54.840 0.104 0.000 0.748 212 L CB -0.583 41.513 42.059 0.063 0.000 0.891 212 L HN 0.310 nan 8.230 nan 0.000 0.431 213 N N -0.426 118.332 118.700 0.096 0.000 2.148 213 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 213 N C 1.372 176.990 175.510 0.180 0.000 1.031 213 N CA 1.619 54.718 53.050 0.083 0.000 0.848 213 N CB 0.100 38.610 38.487 0.039 0.000 1.005 213 N HN 0.287 nan 8.380 nan 0.000 0.427 214 G N -1.321 107.536 108.800 0.095 0.000 2.184 214 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 214 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 214 G C 0.199 175.007 174.900 -0.153 0.000 0.975 214 G CA 0.944 46.045 45.100 0.002 0.000 0.642 214 G HN 0.622 nan 8.290 nan 0.000 0.536 215 H N -0.503 118.550 119.070 -0.029 0.000 2.581 215 H HA 0.516 5.072 4.556 -0.000 0.000 0.275 215 H C 1.544 176.852 175.328 -0.034 0.000 1.126 215 H CA 0.400 56.429 56.048 -0.031 0.000 1.097 215 H CB 0.652 30.393 29.762 -0.034 0.000 1.626 215 H HN 0.322 nan 8.280 nan 0.000 0.565 216 S N 0.973 116.695 115.700 0.037 0.000 3.521 216 S HA -0.192 4.278 4.470 -0.000 0.000 0.328 216 S C 0.591 175.207 174.600 0.027 0.000 1.165 216 S CA 1.326 59.532 58.200 0.009 0.000 0.941 216 S CB -0.938 62.252 63.200 -0.016 0.000 0.951 216 S HN 0.868 nan 8.310 nan 0.000 0.539 217 D N -1.176 119.249 120.400 0.041 0.000 2.527 217 D HA 0.417 5.057 4.640 -0.000 0.000 0.224 217 D C 0.198 176.511 176.300 0.022 0.000 1.217 217 D CA -0.061 53.956 54.000 0.029 0.000 0.819 217 D CB -0.076 40.744 40.800 0.033 0.000 1.061 217 D HN 0.543 nan 8.370 nan 0.000 0.515 218 M N -1.540 118.076 119.600 0.026 0.000 2.721 218 M HA 0.681 5.161 4.480 -0.000 0.000 0.271 218 M C -1.848 174.479 176.300 0.044 0.000 1.259 218 M CA -1.223 54.096 55.300 0.031 0.000 0.835 218 M CB 2.037 34.653 32.600 0.025 0.000 1.689 218 M HN -0.285 nan 8.290 nan 0.000 0.470 219 V N 0.554 120.504 119.914 0.059 0.000 2.604 219 V HA 1.042 5.162 4.120 -0.000 0.000 0.305 219 V C 0.103 176.262 176.094 0.108 0.000 1.043 219 V CA 0.308 62.653 62.300 0.076 0.000 0.888 219 V CB 1.535 33.401 31.823 0.071 0.000 0.995 219 V HN 1.266 nan 8.190 nan 0.000 0.429 220 G N 1.908 110.790 108.800 0.135 0.000 2.489 220 G HA2 0.663 4.623 3.960 -0.000 0.000 0.291 220 G HA3 0.663 4.623 3.960 -0.000 0.000 0.291 220 G C -0.857 174.187 174.900 0.240 0.000 1.487 220 G CA 0.071 45.291 45.100 0.200 0.000 0.795 220 G HN 1.070 nan 8.290 nan 0.000 0.513 221 G N -0.948 108.044 108.800 0.319 0.000 2.605 221 G HA2 0.743 4.703 3.960 -0.000 0.000 0.296 221 G HA3 0.743 4.703 3.960 -0.000 0.000 0.296 221 G C -1.561 173.603 174.900 0.441 0.000 1.304 221 G CA -0.705 44.599 45.100 0.340 0.000 0.941 221 G HN 0.691 nan 8.290 nan 0.000 0.475 222 I N 0.150 120.972 120.570 0.420 0.000 2.722 222 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 222 I C -0.576 175.785 176.117 0.406 0.000 1.267 222 I CA -0.716 60.822 61.300 0.397 0.000 1.036 222 I CB 1.787 39.919 38.000 0.220 0.000 1.281 222 I HN 0.739 nan 8.210 nan 0.000 0.423 223 A N 6.546 129.665 122.820 0.499 0.000 2.331 223 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 223 A C -1.104 176.711 177.584 0.385 0.000 1.138 223 A CA -0.482 51.800 52.037 0.408 0.000 0.790 223 A CB 1.560 20.836 19.000 0.459 0.000 1.206 223 A HN 0.336 nan 8.150 nan 0.000 0.470 224 V N 2.756 122.816 119.914 0.244 0.000 2.495 224 V HA 0.491 4.611 4.120 -0.000 0.000 0.298 224 V C -0.122 176.075 176.094 0.171 0.000 1.031 224 V CA -0.641 61.764 62.300 0.176 0.000 0.871 224 V CB 1.481 33.363 31.823 0.097 0.000 0.988 224 V HN 0.658 nan 8.190 nan 0.000 0.432 225 V N 3.459 123.492 119.914 0.198 0.000 2.532 225 V HA 0.704 4.824 4.120 -0.000 0.000 0.295 225 V C 1.007 177.147 176.094 0.077 0.000 1.041 225 V CA 0.301 62.691 62.300 0.149 0.000 0.926 225 V CB 1.440 33.396 31.823 0.222 0.000 0.992 225 V HN 0.986 nan 8.190 nan 0.000 0.457 226 G N 1.628 110.459 108.800 0.052 0.000 2.873 226 G HA2 0.097 4.057 3.960 -0.000 0.000 0.170 226 G HA3 0.097 4.057 3.960 -0.000 0.000 0.170 226 G C -0.259 174.658 174.900 0.029 0.000 1.608 226 G CA -0.099 45.019 45.100 0.029 0.000 1.084 226 G HN 0.692 nan 8.290 nan 0.000 0.563 227 D N -0.030 120.382 120.400 0.019 0.000 2.619 227 D HA 0.165 4.805 4.640 -0.000 0.000 0.224 227 D C -0.253 176.059 176.300 0.020 0.000 1.133 227 D CA -0.121 53.888 54.000 0.015 0.000 1.017 227 D CB -0.987 39.817 40.800 0.008 0.000 1.077 227 D HN 0.376 nan 8.370 nan 0.000 0.503 228 N N 1.221 119.939 118.700 0.030 0.000 2.701 228 N HA 0.265 5.005 4.740 -0.000 0.000 0.258 228 N C 0.225 175.759 175.510 0.041 0.000 1.262 228 N CA -0.382 52.687 53.050 0.031 0.000 0.780 228 N CB 0.695 39.202 38.487 0.034 0.000 1.380 228 N HN 0.104 nan 8.380 nan 0.000 0.548 229 A N 2.109 124.948 122.820 0.031 0.000 2.014 229 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 229 A C 1.784 179.393 177.584 0.040 0.000 1.163 229 A CA 1.029 53.087 52.037 0.036 0.000 0.652 229 A CB -0.218 18.794 19.000 0.020 0.000 0.808 229 A HN 0.805 nan 8.150 nan 0.000 0.449 230 E N -0.579 119.638 120.200 0.029 0.000 2.046 230 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 230 E C 1.881 178.499 176.600 0.029 0.000 0.982 230 E CA 0.962 57.374 56.400 0.021 0.000 0.800 230 E CB -0.165 29.540 29.700 0.008 0.000 0.756 230 E HN 0.392 nan 8.360 nan 0.000 0.449 231 L N 1.312 122.557 121.223 0.036 0.000 1.990 231 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 231 L C 2.311 179.218 176.870 0.062 0.000 1.072 231 L CA 2.420 57.286 54.840 0.042 0.000 0.755 231 L CB -1.105 40.983 42.059 0.048 0.000 0.889 231 L HN 0.204 nan 8.230 nan 0.000 0.432 232 A N -0.889 122.000 122.820 0.115 0.000 1.896 232 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 232 A C 2.155 179.851 177.584 0.188 0.000 1.206 232 A CA 2.173 54.345 52.037 0.225 0.000 0.647 232 A CB -0.731 18.390 19.000 0.201 0.000 0.828 232 A HN 0.600 nan 8.150 nan 0.000 0.455 233 E N -0.503 119.766 120.200 0.115 0.000 2.106 233 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 233 E C 2.216 178.870 176.600 0.089 0.000 0.984 233 E CA 1.261 57.724 56.400 0.104 0.000 0.806 233 E CB -0.395 29.343 29.700 0.065 0.000 0.750 233 E HN 0.813 nan 8.360 nan 0.000 0.458 234 Q N -0.315 119.514 119.800 0.049 0.000 2.050 234 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 234 Q C 2.178 178.198 176.000 0.033 0.000 0.980 234 Q CA 1.195 57.035 55.803 0.062 0.000 0.840 234 Q CB -0.060 28.694 28.738 0.027 0.000 0.898 234 Q HN 0.163 nan 8.270 nan 0.000 0.424 235 M N -0.032 119.485 119.600 -0.139 0.000 2.080 235 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 235 M C 2.258 178.249 176.300 -0.514 0.000 1.068 235 M CA 1.772 56.807 55.300 -0.443 0.000 1.109 235 M CB -1.277 30.815 32.600 -0.847 0.000 1.342 235 M HN 0.288 nan 8.290 nan 0.000 0.405 236 A N -0.692 121.927 122.820 -0.335 0.000 1.902 236 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 236 A C 2.141 179.775 177.584 0.084 0.000 1.181 236 A CA 1.433 53.487 52.037 0.029 0.000 0.623 236 A CB -1.134 18.047 19.000 0.302 0.000 0.818 236 A HN 0.439 nan 8.150 nan 0.000 0.443 237 F N 0.690 120.635 119.950 -0.007 0.000 2.095 237 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 237 F C 1.908 177.722 175.800 0.024 0.000 1.104 237 F CA 1.875 59.886 58.000 0.018 0.000 1.232 237 F CB -0.309 38.697 39.000 0.010 0.000 0.987 237 F HN 0.151 nan 8.300 nan 0.000 0.475 238 L N -0.167 121.062 121.223 0.009 0.000 2.017 238 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 238 L C 2.665 179.532 176.870 -0.004 0.000 1.073 238 L CA 1.752 56.574 54.840 -0.031 0.000 0.745 238 L CB -1.003 41.092 42.059 0.060 0.000 0.894 238 L HN 0.247 nan 8.230 nan 0.000 0.432 239 Q N 0.199 120.039 119.800 0.067 0.000 2.077 239 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 239 Q C 2.111 178.137 176.000 0.044 0.000 0.989 239 Q CA 1.866 57.755 55.803 0.143 0.000 0.853 239 Q CB -0.052 28.714 28.738 0.046 0.000 0.907 239 Q HN 0.489 nan 8.270 nan 0.000 0.418 240 N N -0.645 118.037 118.700 -0.029 0.000 2.120 240 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 240 N C 1.794 177.226 175.510 -0.130 0.000 1.024 240 N CA 1.470 54.482 53.050 -0.064 0.000 0.852 240 N CB -0.011 38.427 38.487 -0.082 0.000 1.003 240 N HN 0.135 nan 8.380 nan 0.000 0.424 241 S N 0.773 116.313 115.700 -0.266 0.000 2.362 241 S HA 0.101 4.571 4.470 -0.000 0.000 0.221 241 S C 2.123 176.654 174.600 -0.115 0.000 1.032 241 S CA 0.407 58.432 58.200 -0.292 0.000 0.973 241 S CB 0.081 62.933 63.200 -0.581 0.000 0.849 241 S HN 0.203 nan 8.310 nan 0.000 0.465 242 I N 0.961 121.495 120.570 -0.060 0.000 2.286 242 I HA 0.028 4.198 4.170 -0.000 0.000 0.245 242 I C 1.846 177.989 176.117 0.044 0.000 1.104 242 I CA 1.002 62.309 61.300 0.012 0.000 1.397 242 I CB -0.467 37.561 38.000 0.046 0.000 1.072 242 I HN 0.483 nan 8.210 nan 0.000 0.417 243 G N 0.569 109.408 108.800 0.065 0.000 2.137 243 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.237 243 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.237 243 G C 0.745 175.717 174.900 0.120 0.000 1.002 243 G CA -0.016 45.128 45.100 0.075 0.000 0.702 243 G HN 0.613 nan 8.290 nan 0.000 0.515 244 G N 0.132 109.053 108.800 0.202 0.000 3.574 244 G HA2 0.564 4.524 3.960 -0.000 0.000 0.262 244 G HA3 0.564 4.524 3.960 -0.000 0.000 0.262 244 G C 0.727 175.805 174.900 0.296 0.000 1.231 244 G CA 0.486 45.736 45.100 0.250 0.000 1.608 244 G HN 1.614 nan 8.290 nan 0.000 0.628 245 V N -2.301 117.712 119.914 0.164 0.000 2.904 245 V HA 0.556 4.676 4.120 -0.000 0.000 0.305 245 V C 0.089 176.250 176.094 0.112 0.000 1.067 245 V CA -1.372 60.973 62.300 0.076 0.000 1.044 245 V CB 1.573 33.414 31.823 0.030 0.000 1.050 245 V HN 0.237 nan 8.190 nan 0.000 0.475 246 Q N 1.943 121.805 119.800 0.105 0.000 2.304 246 Q HA 0.556 4.896 4.340 -0.000 0.000 0.260 246 Q C 0.329 176.402 176.000 0.121 0.000 0.965 246 Q CA 0.712 56.606 55.803 0.151 0.000 0.898 246 Q CB 0.971 29.840 28.738 0.218 0.000 1.196 246 Q HN 1.215 nan 8.270 nan 0.000 0.402 247 G N 3.496 112.372 108.800 0.126 0.000 2.580 247 G HA2 0.261 4.221 3.960 -0.000 0.000 0.278 247 G HA3 0.261 4.221 3.960 -0.000 0.000 0.278 247 G C -1.775 173.194 174.900 0.116 0.000 1.212 247 G CA -0.970 44.200 45.100 0.117 0.000 0.939 247 G HN 0.720 nan 8.290 nan 0.000 0.513 248 P HA -0.057 nan 4.420 nan 0.000 0.220 248 P C 1.471 178.789 177.300 0.030 0.000 1.152 248 P CA 0.845 63.952 63.100 0.011 0.000 0.812 248 P CB 0.121 31.761 31.700 -0.100 0.000 0.792 249 F N 1.520 121.505 119.950 0.059 0.000 2.095 249 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 249 F C 2.214 178.081 175.800 0.111 0.000 1.104 249 F CA 1.800 59.850 58.000 0.082 0.000 1.232 249 F CB -1.167 37.857 39.000 0.039 0.000 0.987 249 F HN -0.092 nan 8.300 nan 0.000 0.475 250 D N -0.681 119.877 120.400 0.263 0.000 2.149 250 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 250 D C 2.369 178.653 176.300 -0.027 0.000 0.972 250 D CA 1.276 55.342 54.000 0.110 0.000 0.835 250 D CB -0.355 40.508 40.800 0.106 0.000 0.966 250 D HN 0.158 nan 8.370 nan 0.000 0.476 251 S N 0.421 116.122 115.700 0.002 0.000 2.368 251 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 251 S C 1.687 176.156 174.600 -0.218 0.000 1.029 251 S CA 0.365 58.462 58.200 -0.172 0.000 0.988 251 S CB -0.334 62.932 63.200 0.111 0.000 0.838 251 S HN 0.284 nan 8.310 nan 0.000 0.462 252 F N 2.492 122.364 119.950 -0.130 0.000 2.134 252 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 252 F C 1.768 177.492 175.800 -0.128 0.000 1.097 252 F CA 1.210 59.149 58.000 -0.101 0.000 1.264 252 F CB -0.424 38.538 39.000 -0.064 0.000 1.001 252 F HN 0.090 nan 8.300 nan 0.000 0.479 253 L N -0.106 120.961 121.223 -0.260 0.000 2.017 253 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 253 L C 2.844 179.494 176.870 -0.366 0.000 1.073 253 L CA 1.230 55.870 54.840 -0.333 0.000 0.745 253 L CB -1.246 40.754 42.059 -0.098 0.000 0.894 253 L HN 0.275 nan 8.230 nan 0.000 0.432 254 A N -0.111 122.467 122.820 -0.404 0.000 1.877 254 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 254 A C 2.295 179.637 177.584 -0.403 0.000 1.186 254 A CA 1.322 53.088 52.037 -0.451 0.000 0.620 254 A CB -0.781 17.778 19.000 -0.735 0.000 0.822 254 A HN 0.360 nan 8.150 nan 0.000 0.443 255 L N -0.788 120.150 121.223 -0.476 0.000 2.043 255 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 255 L C 2.857 179.602 176.870 -0.208 0.000 1.075 255 L CA 2.129 56.861 54.840 -0.180 0.000 0.752 255 L CB -0.389 41.604 42.059 -0.110 0.000 0.891 255 L HN 0.516 nan 8.230 nan 0.000 0.432 256 R N -0.415 119.855 120.500 -0.383 0.000 2.081 256 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 256 R C 2.104 178.262 176.300 -0.237 0.000 1.131 256 R CA 1.527 57.405 56.100 -0.370 0.000 0.960 256 R CB -0.458 29.481 30.300 -0.602 0.000 0.856 256 R HN 0.478 nan 8.270 nan 0.000 0.436 257 G N 1.027 109.703 108.800 -0.207 0.000 2.408 257 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 257 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 257 G C 1.279 176.187 174.900 0.013 0.000 1.150 257 G CA 0.125 45.194 45.100 -0.052 0.000 0.776 257 G HN 0.159 nan 8.290 nan 0.000 0.542 258 L N 0.746 121.962 121.223 -0.012 0.000 2.081 258 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 258 L C 2.692 179.567 176.870 0.008 0.000 1.080 258 L CA 1.521 56.376 54.840 0.025 0.000 0.754 258 L CB -0.836 41.249 42.059 0.045 0.000 0.893 258 L HN 0.227 nan 8.230 nan 0.000 0.433 259 K N -1.067 119.316 120.400 -0.028 0.000 2.160 259 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 259 K C 1.554 178.148 176.600 -0.009 0.000 1.047 259 K CA 1.788 58.052 56.287 -0.038 0.000 0.930 259 K CB -0.168 32.289 32.500 -0.073 0.000 0.720 259 K HN 0.556 nan 8.250 nan 0.000 0.450 260 T N -1.853 112.715 114.554 0.023 0.000 3.054 260 T HA 0.111 4.461 4.350 -0.000 0.000 0.255 260 T C 1.442 176.175 174.700 0.054 0.000 1.035 260 T CA -0.328 61.797 62.100 0.042 0.000 0.941 260 T CB 0.125 69.037 68.868 0.074 0.000 1.026 260 T HN -0.015 nan 8.240 nan 0.000 0.533 261 L N 2.402 123.662 121.223 0.061 0.000 2.013 261 L HA 0.079 4.418 4.340 -0.000 0.000 0.212 261 L C -0.936 175.968 176.870 0.057 0.000 1.073 261 L CA 2.089 56.975 54.840 0.076 0.000 0.753 261 L CB -1.065 41.034 42.059 0.068 0.000 0.890 261 L HN 0.123 nan 8.230 nan 0.000 0.432 262 P HA -0.162 nan 4.420 nan 0.000 0.215 262 P C 1.893 179.203 177.300 0.016 0.000 1.153 262 P CA 1.196 64.308 63.100 0.021 0.000 0.853 262 P CB -0.006 31.703 31.700 0.015 0.000 0.788 263 L N -0.969 120.261 121.223 0.011 0.000 2.109 263 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 263 L C 2.453 179.307 176.870 -0.027 0.000 1.086 263 L CA 1.651 56.488 54.840 -0.006 0.000 0.760 263 L CB -1.128 40.927 42.059 -0.006 0.000 0.910 263 L HN -0.136 nan 8.230 nan 0.000 0.437 264 R N -1.667 118.825 120.500 -0.013 0.000 2.066 264 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 264 R C 2.115 178.406 176.300 -0.016 0.000 1.131 264 R CA 1.215 57.272 56.100 -0.072 0.000 0.955 264 R CB -0.277 30.043 30.300 0.033 0.000 0.851 264 R HN 0.241 nan 8.270 nan 0.000 0.432 265 M N 0.281 119.962 119.600 0.135 0.000 2.086 265 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 265 M C 2.222 178.571 176.300 0.082 0.000 1.067 265 M CA 1.528 56.922 55.300 0.156 0.000 1.116 265 M CB -0.993 31.640 32.600 0.054 0.000 1.348 265 M HN 0.130 nan 8.290 nan 0.000 0.407 266 R N 0.208 120.725 120.500 0.029 0.000 2.083 266 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 266 R C 2.090 178.399 176.300 0.015 0.000 1.137 266 R CA 1.883 57.995 56.100 0.020 0.000 0.951 266 R CB -0.207 30.095 30.300 0.004 0.000 0.851 266 R HN 0.347 nan 8.270 nan 0.000 0.434 267 A N 0.538 123.331 122.820 -0.045 0.000 1.930 267 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 267 A C 1.862 179.411 177.584 -0.057 0.000 1.175 267 A CA 1.202 53.188 52.037 -0.085 0.000 0.627 267 A CB -0.678 18.224 19.000 -0.164 0.000 0.815 267 A HN 0.428 nan 8.150 nan 0.000 0.443 268 H N -0.404 118.701 119.070 0.058 0.000 2.290 268 H HA -0.162 4.394 4.556 0.000 0.000 0.298 268 H C 2.490 177.883 175.328 0.109 0.000 1.087 268 H CA 1.703 57.807 56.048 0.094 0.000 1.291 268 H CB -0.855 29.002 29.762 0.158 0.000 1.369 268 H HN 0.531 nan 8.280 nan 0.000 0.492 269 C N 0.702 120.146 119.300 0.239 0.000 2.413 269 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 269 C C 2.807 177.927 174.990 0.216 0.000 1.228 269 C CA 1.175 60.339 59.018 0.244 0.000 1.731 269 C CB -0.695 27.145 27.740 0.167 0.000 2.042 269 C HN 0.634 nan 8.230 nan 0.000 0.468 270 E N 0.970 121.254 120.200 0.139 0.000 2.038 270 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 270 E C 1.884 178.531 176.600 0.078 0.000 1.000 270 E CA 1.499 57.962 56.400 0.105 0.000 0.803 270 E CB -0.130 29.607 29.700 0.061 0.000 0.750 270 E HN 0.528 nan 8.360 nan 0.000 0.448 271 N N 0.221 118.959 118.700 0.063 0.000 2.120 271 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 271 N C 1.597 177.131 175.510 0.040 0.000 1.024 271 N CA 1.397 54.476 53.050 0.048 0.000 0.852 271 N CB -0.490 38.023 38.487 0.044 0.000 1.003 271 N HN 0.273 nan 8.380 nan 0.000 0.424 272 A N 0.750 123.595 122.820 0.042 0.000 1.930 272 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 272 A C 2.221 179.551 177.584 -0.423 0.000 1.175 272 A CA 0.897 52.862 52.037 -0.120 0.000 0.627 272 A CB -0.599 18.390 19.000 -0.018 0.000 0.815 272 A HN 0.247 nan 8.150 nan 0.000 0.443 273 L N -0.247 120.868 121.223 -0.179 0.000 2.027 273 L HA 0.037 4.377 4.340 -0.000 0.000 0.206 273 L C 2.626 179.466 176.870 -0.050 0.000 1.074 273 L CA 2.203 56.983 54.840 -0.100 0.000 0.745 273 L CB -0.891 41.331 42.059 0.271 0.000 0.898 273 L HN 0.306 nan 8.230 nan 0.000 0.433 274 A N -0.669 122.159 122.820 0.013 0.000 1.940 274 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 274 A C 2.161 179.791 177.584 0.076 0.000 1.176 274 A CA 1.998 54.061 52.037 0.043 0.000 0.631 274 A CB -0.859 18.161 19.000 0.034 0.000 0.814 274 A HN 0.443 nan 8.150 nan 0.000 0.446 275 L N -0.785 120.470 121.223 0.052 0.000 2.109 275 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 275 L C 2.879 179.822 176.870 0.121 0.000 1.086 275 L CA 1.590 56.533 54.840 0.172 0.000 0.760 275 L CB -1.126 41.029 42.059 0.162 0.000 0.910 275 L HN 0.392 nan 8.230 nan 0.000 0.437 276 A N -1.182 121.580 122.820 -0.096 0.000 1.902 276 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 276 A C 2.188 179.754 177.584 -0.030 0.000 1.181 276 A CA 1.600 53.558 52.037 -0.132 0.000 0.623 276 A CB -0.401 18.403 19.000 -0.328 0.000 0.818 276 A HN 0.530 nan 8.150 nan 0.000 0.443 277 Q N -2.043 117.769 119.800 0.020 0.000 2.084 277 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 277 Q C 1.923 177.977 176.000 0.091 0.000 0.978 277 Q CA 1.693 57.525 55.803 0.048 0.000 0.844 277 Q CB -0.303 28.474 28.738 0.066 0.000 0.898 277 Q HN 0.897 nan 8.270 nan 0.000 0.426 278 W N 1.274 122.560 121.300 -0.024 0.000 2.355 278 W HA -0.153 4.506 4.660 0.000 0.000 0.309 278 W C 1.445 177.972 176.519 0.013 0.000 1.206 278 W CA 1.239 58.584 57.345 0.000 0.000 1.284 278 W CB -0.338 29.125 29.460 0.005 0.000 1.145 278 W HN 0.024 nan 8.180 nan 0.000 0.502 279 L N 0.708 121.707 121.223 -0.373 0.000 2.131 279 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 279 L C 2.404 179.073 176.870 -0.335 0.000 1.092 279 L CA 1.844 56.337 54.840 -0.579 0.000 0.759 279 L CB -0.943 40.886 42.059 -0.385 0.000 0.903 279 L HN 0.015 nan 8.230 nan 0.000 0.435 280 E N 0.268 120.353 120.200 -0.192 0.000 2.267 280 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 280 E C 1.517 178.041 176.600 -0.126 0.000 0.998 280 E CA 1.690 58.015 56.400 -0.126 0.000 0.830 280 E CB 0.034 29.693 29.700 -0.070 0.000 0.751 280 E HN 0.471 nan 8.360 nan 0.000 0.491 281 T N -2.538 111.925 114.554 -0.150 0.000 3.200 281 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 281 T C 0.186 174.791 174.700 -0.158 0.000 1.009 281 T CA -0.636 61.390 62.100 -0.123 0.000 0.907 281 T CB -0.219 68.601 68.868 -0.080 0.000 1.120 281 T HN 0.136 nan 8.240 nan 0.000 0.534 282 H N 2.375 121.238 119.070 -0.345 0.000 2.610 282 H HA 0.256 4.812 4.556 -0.000 0.000 0.336 282 H C -1.943 173.238 175.328 -0.245 0.000 1.087 282 H CA -1.675 54.149 56.048 -0.374 0.000 1.405 282 H CB 2.008 31.391 29.762 -0.632 0.000 1.460 282 H HN -0.055 nan 8.280 nan 0.000 0.538 283 P HA -0.092 nan 4.420 nan 0.000 0.219 283 P C 0.550 177.837 177.300 -0.022 0.000 1.146 283 P CA 1.599 64.609 63.100 -0.151 0.000 0.808 283 P CB 0.216 31.788 31.700 -0.214 0.000 0.779 284 A N -1.503 121.417 122.820 0.168 0.000 2.307 284 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 284 A C 0.589 178.122 177.584 -0.084 0.000 1.228 284 A CA 0.199 52.260 52.037 0.039 0.000 0.857 284 A CB -0.384 18.649 19.000 0.055 0.000 0.897 284 A HN 0.011 nan 8.150 nan 0.000 0.495 285 I N -0.078 120.438 120.570 -0.090 0.000 2.378 285 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 285 I C 0.908 176.949 176.117 -0.127 0.000 0.992 285 I CA -0.153 61.042 61.300 -0.174 0.000 1.154 285 I CB 1.388 39.243 38.000 -0.241 0.000 1.315 285 I HN 0.250 nan 8.210 nan 0.000 0.448 286 E N 4.901 125.027 120.200 -0.124 0.000 2.076 286 E HA 0.015 4.365 4.350 -0.000 0.000 0.190 286 E C 0.354 176.899 176.600 -0.092 0.000 0.979 286 E CA 1.257 57.601 56.400 -0.094 0.000 0.807 286 E CB 0.571 30.221 29.700 -0.083 0.000 0.761 286 E HN 0.543 nan 8.360 nan 0.000 0.454 287 K N -0.717 119.619 120.400 -0.107 0.000 2.557 287 K HA 0.362 4.682 4.320 -0.000 0.000 0.261 287 K C -1.925 174.614 176.600 -0.101 0.000 0.932 287 K CA -0.676 55.557 56.287 -0.091 0.000 0.829 287 K CB 1.987 34.441 32.500 -0.076 0.000 1.358 287 K HN -0.121 nan 8.250 nan 0.000 0.430 288 V N 5.224 125.092 119.914 -0.076 0.000 2.409 288 V HA 0.442 4.562 4.120 -0.000 0.000 0.291 288 V C -0.221 175.882 176.094 0.014 0.000 1.020 288 V CA -0.767 61.502 62.300 -0.051 0.000 0.848 288 V CB 1.335 33.122 31.823 -0.061 0.000 0.990 288 V HN 0.626 nan 8.190 nan 0.000 0.430 289 I N 5.813 126.414 120.570 0.052 0.000 2.304 289 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 289 I C -0.937 175.355 176.117 0.292 0.000 1.018 289 I CA -0.387 60.997 61.300 0.139 0.000 1.260 289 I CB 0.588 38.643 38.000 0.091 0.000 1.390 289 I HN 0.616 nan 8.210 nan 0.000 0.475 290 Y N 8.728 129.136 120.300 0.179 0.000 2.390 290 Y HA 0.324 4.873 4.550 -0.000 0.000 0.324 290 Y C -2.457 173.461 175.900 0.030 0.000 1.151 290 Y CA -1.894 56.269 58.100 0.106 0.000 1.053 290 Y CB 2.201 40.682 38.460 0.035 0.000 1.277 290 Y HN 0.298 nan 8.280 nan 0.000 0.432 291 P HA 0.008 nan 4.420 nan 0.000 0.222 291 P C 1.198 178.066 177.300 -0.720 0.000 1.147 291 P CA 1.822 64.428 63.100 -0.823 0.000 0.790 291 P CB 0.338 31.681 31.700 -0.595 0.000 0.780 292 G N -1.076 106.996 108.800 -1.213 0.000 2.920 292 G HA2 0.029 3.988 3.960 -0.000 0.000 0.208 292 G HA3 0.029 3.988 3.960 -0.000 0.000 0.208 292 G C 0.318 174.877 174.900 -0.568 0.000 1.159 292 G CA -0.103 44.076 45.100 -1.534 0.000 0.784 292 G HN 0.219 nan 8.290 nan 0.000 0.535 293 L N 1.001 122.060 121.223 -0.274 0.000 2.290 293 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 293 L C 1.837 178.428 176.870 -0.465 0.000 1.078 293 L CA -0.706 53.990 54.840 -0.241 0.000 0.815 293 L CB 1.604 43.654 42.059 -0.015 0.000 1.162 293 L HN 0.125 nan 8.230 nan 0.000 0.435 294 A N 2.139 124.613 122.820 -0.576 0.000 2.032 294 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 294 A C 2.282 179.769 177.584 -0.160 0.000 1.165 294 A CA 2.029 53.783 52.037 -0.471 0.000 0.645 294 A CB -0.470 18.369 19.000 -0.268 0.000 0.807 294 A HN 0.883 nan 8.150 nan 0.000 0.453 295 S N -1.012 114.626 115.700 -0.103 0.000 2.453 295 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 295 S C 1.012 175.617 174.600 0.010 0.000 1.005 295 S CA 0.336 58.515 58.200 -0.035 0.000 0.949 295 S CB -0.679 62.499 63.200 -0.038 0.000 0.774 295 S HN 0.668 nan 8.310 nan 0.000 0.510 296 H N 3.553 122.595 119.070 -0.047 0.000 2.964 296 H HA 0.150 4.706 4.556 0.000 0.000 0.328 296 H C -1.901 173.444 175.328 0.028 0.000 1.030 296 H CA -1.104 54.941 56.048 -0.004 0.000 1.445 296 H CB 1.056 30.816 29.762 -0.004 0.000 1.449 296 H HN 0.062 nan 8.280 nan 0.000 0.581 297 P HA -0.128 nan 4.420 nan 0.000 0.218 297 P C 0.383 177.776 177.300 0.155 0.000 1.146 297 P CA 1.425 64.520 63.100 -0.007 0.000 0.813 297 P CB 0.317 31.949 31.700 -0.112 0.000 0.778 298 Q N -3.370 116.682 119.800 0.421 0.000 2.155 298 Q HA 0.068 4.408 4.340 -0.000 0.000 0.220 298 Q C 1.276 177.394 176.000 0.196 0.000 0.819 298 Q CA -0.134 55.843 55.803 0.289 0.000 1.032 298 Q CB -0.431 28.466 28.738 0.264 0.000 1.151 298 Q HN 0.270 nan 8.270 nan 0.000 0.487 299 H N -0.130 119.030 119.070 0.149 0.000 2.292 299 H HA -0.199 4.357 4.556 -0.000 0.000 0.292 299 H C 1.524 176.881 175.328 0.048 0.000 1.100 299 H CA 2.362 58.420 56.048 0.016 0.000 1.238 299 H CB -0.014 29.743 29.762 -0.008 0.000 1.355 299 H HN 0.138 nan 8.280 nan 0.000 0.484 300 V N 0.329 120.218 119.914 -0.041 0.000 2.287 300 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 300 V C 2.675 178.730 176.094 -0.065 0.000 1.053 300 V CA 1.740 63.996 62.300 -0.073 0.000 1.027 300 V CB -0.865 30.968 31.823 0.016 0.000 0.646 300 V HN 0.432 nan 8.190 nan 0.000 0.447 301 L N 1.014 122.226 121.223 -0.020 0.000 2.046 301 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 301 L C 2.438 179.287 176.870 -0.036 0.000 1.077 301 L CA 2.356 57.187 54.840 -0.015 0.000 0.747 301 L CB -1.056 41.009 42.059 0.011 0.000 0.896 301 L HN 0.209 nan 8.230 nan 0.000 0.432 302 A N -0.426 122.368 122.820 -0.042 0.000 1.908 302 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 302 A C 2.338 179.917 177.584 -0.009 0.000 1.181 302 A CA 2.091 54.123 52.037 -0.008 0.000 0.627 302 A CB -0.561 18.467 19.000 0.047 0.000 0.818 302 A HN 0.545 nan 8.150 nan 0.000 0.445 303 K N -0.688 119.687 120.400 -0.041 0.000 2.057 303 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 303 K C 2.251 178.805 176.600 -0.076 0.000 1.049 303 K CA 1.567 57.822 56.287 -0.054 0.000 0.931 303 K CB -0.184 32.268 32.500 -0.080 0.000 0.714 303 K HN 0.457 nan 8.250 nan 0.000 0.440 304 R N 0.376 120.839 120.500 -0.062 0.000 2.119 304 R HA -0.093 4.247 4.340 -0.000 0.000 0.222 304 R C 2.334 178.599 176.300 -0.058 0.000 1.088 304 R CA 1.048 57.118 56.100 -0.049 0.000 0.984 304 R CB -0.024 30.257 30.300 -0.032 0.000 0.884 304 R HN 0.273 nan 8.270 nan 0.000 0.447 305 Q N -0.198 119.563 119.800 -0.064 0.000 2.373 305 Q HA 0.143 4.483 4.340 -0.000 0.000 0.210 305 Q C 0.077 176.025 176.000 -0.087 0.000 0.913 305 Q CA 0.412 56.178 55.803 -0.062 0.000 0.911 305 Q CB 0.638 29.348 28.738 -0.047 0.000 1.040 305 Q HN 0.118 nan 8.270 nan 0.000 0.521 306 M N -0.035 119.487 119.600 -0.130 0.000 2.456 306 M HA 0.300 4.780 4.480 -0.000 0.000 0.324 306 M C 0.290 176.433 176.300 -0.262 0.000 1.124 306 M CA -0.445 54.746 55.300 -0.182 0.000 0.959 306 M CB 2.197 34.670 32.600 -0.212 0.000 1.692 306 M HN -0.080 nan 8.290 nan 0.000 0.444 307 S N 0.348 115.910 115.700 -0.231 0.000 2.527 307 S HA 0.274 4.744 4.470 -0.000 0.000 0.222 307 S C 0.723 175.119 174.600 -0.341 0.000 0.985 307 S CA 0.202 58.264 58.200 -0.230 0.000 0.921 307 S CB 0.066 63.184 63.200 -0.137 0.000 0.772 307 S HN 0.933 nan 8.310 nan 0.000 0.529 308 G N -0.188 108.342 108.800 -0.450 0.000 2.600 308 G HA2 0.556 4.516 3.960 -0.000 0.000 0.293 308 G HA3 0.556 4.516 3.960 -0.000 0.000 0.293 308 G C -0.942 173.610 174.900 -0.579 0.000 1.408 308 G CA -0.782 43.989 45.100 -0.549 0.000 0.782 308 G HN 0.111 nan 8.290 nan 0.000 0.482 309 F N 0.829 120.767 119.950 -0.020 0.000 2.653 309 F HA 0.542 5.069 4.527 0.000 0.000 0.304 309 F C 1.400 177.108 175.800 -0.153 0.000 1.092 309 F CA 0.121 58.014 58.000 -0.179 0.000 1.279 309 F CB 0.740 39.518 39.000 -0.369 0.000 1.044 309 F HN 1.109 nan 8.300 nan 0.000 0.564 310 G N 0.033 108.917 108.800 0.140 0.000 2.663 310 G HA2 0.094 4.054 3.960 -0.000 0.000 0.686 310 G HA3 0.094 4.054 3.960 -0.000 0.000 0.686 310 G C 0.592 175.666 174.900 0.291 0.000 1.288 310 G CA -0.611 44.560 45.100 0.118 0.000 0.836 310 G HN 0.444 nan 8.290 nan 0.000 0.584 311 G N -0.986 107.913 108.800 0.165 0.000 3.189 311 G HA2 0.489 4.449 3.960 -0.000 0.000 0.225 311 G HA3 0.489 4.449 3.960 -0.000 0.000 0.225 311 G C 0.471 175.499 174.900 0.213 0.000 1.159 311 G CA 0.256 45.500 45.100 0.240 0.000 0.763 311 G HN 0.730 nan 8.290 nan 0.000 0.549 312 I N 1.053 121.759 120.570 0.226 0.000 2.404 312 I HA 0.389 4.559 4.170 -0.000 0.000 0.293 312 I C -0.831 175.474 176.117 0.314 0.000 0.992 312 I CA -0.828 60.571 61.300 0.165 0.000 1.149 312 I CB 2.562 40.536 38.000 -0.043 0.000 1.315 312 I HN -0.269 nan 8.210 nan 0.000 0.446 313 V N 4.940 124.980 119.914 0.209 0.000 2.483 313 V HA 0.403 4.523 4.120 -0.000 0.000 0.297 313 V C -0.288 175.871 176.094 0.109 0.000 1.027 313 V CA -0.499 61.912 62.300 0.184 0.000 0.855 313 V CB 1.729 33.567 31.823 0.026 0.000 0.995 313 V HN 0.701 nan 8.190 nan 0.000 0.424 314 S N 5.663 121.431 115.700 0.113 0.000 2.451 314 S HA 0.813 5.283 4.470 -0.000 0.000 0.301 314 S C -0.384 174.205 174.600 -0.018 0.000 1.116 314 S CA -0.468 57.757 58.200 0.041 0.000 1.093 314 S CB 1.164 64.401 63.200 0.062 0.000 1.017 314 S HN 0.702 nan 8.310 nan 0.000 0.482 315 I N 0.384 120.897 120.570 -0.094 0.000 2.647 315 I HA 0.772 4.942 4.170 -0.000 0.000 0.295 315 I C -0.526 175.479 176.117 -0.187 0.000 1.078 315 I CA -1.291 59.913 61.300 -0.160 0.000 1.048 315 I CB 1.874 39.724 38.000 -0.251 0.000 1.239 315 I HN 0.372 nan 8.210 nan 0.000 0.421 316 V N 6.481 126.296 119.914 -0.166 0.000 2.370 316 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 316 V C -0.500 175.480 176.094 -0.190 0.000 1.029 316 V CA -0.368 61.835 62.300 -0.162 0.000 0.870 316 V CB 1.257 33.016 31.823 -0.106 0.000 0.984 316 V HN 0.724 nan 8.190 nan 0.000 0.451 317 L N 6.546 127.639 121.223 -0.216 0.000 2.371 317 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 317 L C 0.775 177.568 176.870 -0.128 0.000 1.124 317 L CA 0.258 54.967 54.840 -0.219 0.000 0.816 317 L CB 0.883 42.789 42.059 -0.255 0.000 1.129 317 L HN 0.649 nan 8.230 nan 0.000 0.448 318 K N 2.101 122.436 120.400 -0.109 0.000 2.412 318 K HA 0.406 4.726 4.320 -0.000 0.000 0.281 318 K C 0.768 177.341 176.600 -0.045 0.000 1.027 318 K CA 0.732 56.980 56.287 -0.064 0.000 0.989 318 K CB 0.455 32.922 32.500 -0.056 0.000 0.935 318 K HN 0.858 nan 8.250 nan 0.000 0.475 319 G N 1.782 110.571 108.800 -0.019 0.000 2.159 319 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.170 319 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.170 319 G C 0.552 175.469 174.900 0.028 0.000 1.007 319 G CA -0.081 45.021 45.100 0.003 0.000 0.672 319 G HN 1.147 nan 8.290 nan 0.000 0.507 320 G N -0.278 108.539 108.800 0.029 0.000 2.578 320 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.284 320 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.284 320 G C 0.857 175.833 174.900 0.127 0.000 1.283 320 G CA 0.794 45.941 45.100 0.079 0.000 0.944 320 G HN 1.484 nan 8.290 nan 0.000 0.558 321 F N 1.441 121.424 119.950 0.056 0.000 2.202 321 F HA -0.065 4.462 4.527 0.000 0.000 0.301 321 F C 2.428 178.291 175.800 0.106 0.000 1.082 321 F CA 2.724 60.790 58.000 0.111 0.000 1.313 321 F CB -0.057 38.988 39.000 0.075 0.000 1.024 321 F HN 0.429 nan 8.300 nan 0.000 0.495 322 D N 0.305 120.795 120.400 0.150 0.000 2.149 322 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 322 D C 2.357 178.643 176.300 -0.023 0.000 0.972 322 D CA 1.289 55.316 54.000 0.044 0.000 0.835 322 D CB -0.310 40.559 40.800 0.115 0.000 0.966 322 D HN 0.429 nan 8.370 nan 0.000 0.476 323 A N 1.493 124.311 122.820 -0.003 0.000 1.929 323 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 323 A C 2.357 179.936 177.584 -0.007 0.000 1.176 323 A CA 1.625 53.660 52.037 -0.004 0.000 0.628 323 A CB -0.492 18.499 19.000 -0.015 0.000 0.816 323 A HN 0.213 nan 8.150 nan 0.000 0.444 324 A N 0.260 123.045 122.820 -0.057 0.000 1.865 324 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 324 A C 2.145 179.744 177.584 0.024 0.000 1.191 324 A CA 2.190 54.190 52.037 -0.062 0.000 0.623 324 A CB -0.578 18.339 19.000 -0.138 0.000 0.826 324 A HN 0.553 nan 8.150 nan 0.000 0.444 325 K N -0.071 120.227 120.400 -0.171 0.000 2.032 325 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 325 K C 2.266 178.824 176.600 -0.071 0.000 1.048 325 K CA 2.000 58.151 56.287 -0.226 0.000 0.927 325 K CB -0.172 32.009 32.500 -0.531 0.000 0.712 325 K HN 0.512 nan 8.250 nan 0.000 0.441 326 R N 0.063 120.545 120.500 -0.030 0.000 2.115 326 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 326 R C 2.048 178.365 176.300 0.029 0.000 1.111 326 R CA 1.643 57.746 56.100 0.006 0.000 0.976 326 R CB -1.226 29.087 30.300 0.022 0.000 0.870 326 R HN 0.314 nan 8.270 nan 0.000 0.445 327 F N 0.516 120.423 119.950 -0.072 0.000 2.186 327 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 327 F C 1.521 177.282 175.800 -0.065 0.000 1.090 327 F CA 0.947 58.901 58.000 -0.077 0.000 1.307 327 F CB -0.488 38.444 39.000 -0.112 0.000 1.019 327 F HN 0.102 nan 8.300 nan 0.000 0.489 328 C N 1.573 120.788 119.300 -0.142 0.000 2.432 328 C HA -0.101 4.359 4.460 -0.000 0.000 0.282 328 C C 2.539 177.421 174.990 -0.180 0.000 1.388 328 C CA 1.225 60.127 59.018 -0.195 0.000 1.777 328 C CB -1.501 26.253 27.740 0.023 0.000 1.882 328 C HN 0.679 nan 8.230 nan 0.000 0.520 329 E N -0.032 120.090 120.200 -0.131 0.000 2.474 329 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 329 E C 1.607 178.144 176.600 -0.105 0.000 1.039 329 E CA 0.294 56.638 56.400 -0.093 0.000 0.881 329 E CB -0.167 29.504 29.700 -0.049 0.000 0.970 329 E HN 0.493 nan 8.360 nan 0.000 0.486 330 K N 1.599 121.899 120.400 -0.166 0.000 2.360 330 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 330 K C 0.322 176.823 176.600 -0.165 0.000 1.049 330 K CA 0.449 56.655 56.287 -0.134 0.000 1.049 330 K CB 0.771 33.215 32.500 -0.093 0.000 0.881 330 K HN 0.193 nan 8.250 nan 0.000 0.542 331 T N -0.500 113.888 114.554 -0.278 0.000 2.916 331 T HA 0.092 4.442 4.350 -0.000 0.000 0.303 331 T C 0.816 175.484 174.700 -0.054 0.000 1.025 331 T CA -0.209 61.778 62.100 -0.189 0.000 1.142 331 T CB 1.193 69.897 68.868 -0.272 0.000 0.947 331 T HN 0.155 nan 8.240 nan 0.000 0.544 332 E N 1.566 121.771 120.200 0.008 0.000 2.207 332 E HA 0.064 4.414 4.350 -0.000 0.000 0.197 332 E C 1.658 178.269 176.600 0.018 0.000 0.914 332 E CA -0.162 56.242 56.400 0.008 0.000 0.914 332 E CB -0.195 29.505 29.700 0.001 0.000 0.893 332 E HN 0.350 nan 8.360 nan 0.000 0.479 333 L N 0.661 121.907 121.223 0.039 0.000 2.141 333 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 333 L C 0.534 177.321 176.870 -0.137 0.000 1.094 333 L CA 1.206 56.020 54.840 -0.042 0.000 0.763 333 L CB -0.477 41.551 42.059 -0.052 0.000 0.908 333 L HN -0.002 nan 8.230 nan 0.000 0.437 334 F N -0.044 119.874 119.950 -0.053 0.000 2.404 334 F HA 0.202 4.729 4.527 -0.000 0.000 0.359 334 F C 0.955 176.713 175.800 -0.069 0.000 1.134 334 F CA -0.494 57.474 58.000 -0.054 0.000 1.160 334 F CB -0.034 38.929 39.000 -0.062 0.000 1.186 334 F HN -0.241 nan 8.300 nan 0.000 0.526 335 T N 5.260 119.848 114.554 0.056 0.000 2.814 335 T HA 0.153 4.503 4.350 -0.000 0.000 0.297 335 T C -0.093 174.638 174.700 0.051 0.000 0.956 335 T CA -0.440 61.678 62.100 0.030 0.000 1.123 335 T CB 0.589 69.454 68.868 -0.004 0.000 0.902 335 T HN 0.281 nan 8.240 nan 0.000 0.528 336 L N 4.261 125.503 121.223 0.031 0.000 2.530 336 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 336 L C 0.081 176.974 176.870 0.039 0.000 1.141 336 L CA 0.417 55.277 54.840 0.034 0.000 0.905 336 L CB -1.344 40.721 42.059 0.010 0.000 1.202 336 L HN 0.880 nan 8.230 nan 0.000 0.473 337 A N 4.210 127.063 122.820 0.055 0.000 2.597 337 A HA 0.473 4.793 4.320 -0.000 0.000 0.292 337 A C -0.620 177.006 177.584 0.071 0.000 1.057 337 A CA -0.738 51.330 52.037 0.051 0.000 0.674 337 A CB 0.757 19.777 19.000 0.033 0.000 1.278 337 A HN 0.602 nan 8.150 nan 0.000 0.416 338 E N 1.056 121.300 120.200 0.073 0.000 2.122 338 E HA 0.454 4.804 4.350 -0.000 0.000 0.288 338 E C -0.356 176.300 176.600 0.094 0.000 1.260 338 E CA 0.045 56.505 56.400 0.100 0.000 1.344 338 E CB 0.527 30.287 29.700 0.100 0.000 1.337 338 E HN 0.460 nan 8.360 nan 0.000 0.484 339 S N 0.647 116.390 115.700 0.072 0.000 2.688 339 S HA 0.712 5.182 4.470 -0.000 0.000 0.275 339 S C -1.792 172.810 174.600 0.004 0.000 1.175 339 S CA -0.762 57.463 58.200 0.041 0.000 0.818 339 S CB 0.904 64.105 63.200 0.003 0.000 1.157 339 S HN 0.317 nan 8.310 nan 0.000 0.482 340 L N -1.272 119.905 121.223 -0.075 0.000 2.502 340 L HA 0.985 5.325 4.340 -0.000 0.000 0.253 340 L C 0.714 177.331 176.870 -0.422 0.000 1.070 340 L CA -0.135 54.582 54.840 -0.204 0.000 0.871 340 L CB 0.730 42.664 42.059 -0.207 0.000 1.487 340 L HN 1.089 nan 8.230 nan 0.000 0.408 341 G N -1.296 107.053 108.800 -0.752 0.000 2.143 341 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.249 341 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.249 341 G C 0.369 174.848 174.900 -0.701 0.000 0.981 341 G CA 0.030 44.280 45.100 -1.415 0.000 0.665 341 G HN 1.289 nan 8.290 nan 0.000 0.528 342 G N -1.299 107.278 108.800 -0.371 0.000 2.476 342 G HA2 0.555 4.515 3.960 -0.000 0.000 0.286 342 G HA3 0.555 4.515 3.960 -0.000 0.000 0.286 342 G C 1.094 175.946 174.900 -0.080 0.000 1.177 342 G CA 0.325 45.308 45.100 -0.195 0.000 0.870 342 G HN 0.712 nan 8.290 nan 0.000 0.528 343 V N 0.451 120.288 119.914 -0.129 0.000 2.515 343 V HA -0.033 4.087 4.120 -0.000 0.000 0.250 343 V C 1.504 177.536 176.094 -0.104 0.000 1.058 343 V CA 1.918 64.139 62.300 -0.132 0.000 1.064 343 V CB -0.333 31.273 31.823 -0.363 0.000 0.675 343 V HN 0.797 nan 8.190 nan 0.000 0.461 344 E N 0.693 120.822 120.200 -0.117 0.000 2.301 344 E HA 0.174 4.524 4.350 -0.000 0.000 0.275 344 E C -0.199 176.300 176.600 -0.167 0.000 1.030 344 E CA -0.142 56.177 56.400 -0.136 0.000 0.852 344 E CB 1.283 30.916 29.700 -0.112 0.000 1.060 344 E HN 0.210 nan 8.360 nan 0.000 0.401 345 S N 2.194 117.721 115.700 -0.289 0.000 2.573 345 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 345 S C 0.178 174.639 174.600 -0.232 0.000 1.346 345 S CA -0.211 57.722 58.200 -0.444 0.000 1.034 345 S CB 0.130 62.587 63.200 -1.239 0.000 0.879 345 S HN 0.426 nan 8.310 nan 0.000 0.528 346 L N 1.999 123.207 121.223 -0.025 0.000 2.472 346 L HA 0.663 5.003 4.340 -0.000 0.000 0.260 346 L C -0.841 176.199 176.870 0.283 0.000 0.963 346 L CA -0.752 54.149 54.840 0.103 0.000 0.829 346 L CB 1.991 44.066 42.059 0.026 0.000 1.348 346 L HN 0.429 nan 8.230 nan 0.000 0.408 347 V N 2.265 122.316 119.914 0.230 0.000 2.680 347 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 347 V C -1.370 174.799 176.094 0.125 0.000 1.052 347 V CA -0.153 62.259 62.300 0.186 0.000 0.908 347 V CB 2.224 34.113 31.823 0.110 0.000 1.001 347 V HN 0.909 nan 8.190 nan 0.000 0.431 348 N N 2.842 121.618 118.700 0.127 0.000 2.264 348 N HA 0.405 5.145 4.740 -0.000 0.000 0.288 348 N C -1.663 173.935 175.510 0.146 0.000 1.094 348 N CA -0.553 52.579 53.050 0.138 0.000 0.817 348 N CB 1.679 40.252 38.487 0.143 0.000 1.604 348 N HN 0.813 nan 8.380 nan 0.000 0.473 349 H N 4.266 123.379 119.070 0.072 0.000 2.683 349 H HA 0.403 4.959 4.556 0.000 0.000 0.270 349 H C -2.081 173.293 175.328 0.077 0.000 1.201 349 H CA -2.068 54.015 56.048 0.058 0.000 1.277 349 H CB 1.315 31.095 29.762 0.030 0.000 1.400 349 H HN 0.546 nan 8.280 nan 0.000 0.504 350 P HA -0.065 nan 4.420 nan 0.000 0.220 350 P C 1.346 178.784 177.300 0.231 0.000 1.148 350 P CA 1.313 64.532 63.100 0.198 0.000 0.803 350 P CB 0.280 31.998 31.700 0.030 0.000 0.782 351 A N -0.676 122.322 122.820 0.297 0.000 1.940 351 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 351 A C 2.208 179.875 177.584 0.140 0.000 1.176 351 A CA 1.969 54.130 52.037 0.207 0.000 0.631 351 A CB -1.462 17.684 19.000 0.243 0.000 0.814 351 A HN 0.113 nan 8.150 nan 0.000 0.446 352 V N -1.564 118.429 119.914 0.132 0.000 3.085 352 V HA 0.036 4.156 4.120 -0.000 0.000 0.245 352 V C 2.002 178.130 176.094 0.057 0.000 1.114 352 V CA 1.453 63.781 62.300 0.047 0.000 1.108 352 V CB -0.172 31.611 31.823 -0.066 0.000 0.798 352 V HN 0.519 nan 8.190 nan 0.000 0.471 353 M N -1.228 118.432 119.600 0.099 0.000 2.368 353 M HA 0.209 4.689 4.480 -0.000 0.000 0.146 353 M C 0.928 177.284 176.300 0.093 0.000 1.502 353 M CA 0.358 55.712 55.300 0.090 0.000 1.424 353 M CB -0.205 32.461 32.600 0.110 0.000 0.768 353 M HN -0.061 nan 8.290 nan 0.000 0.541 354 T N 0.245 114.882 114.554 0.139 0.000 2.939 354 T HA -0.086 4.264 4.350 -0.000 0.000 0.312 354 T C -0.250 174.571 174.700 0.202 0.000 1.064 354 T CA 1.231 63.432 62.100 0.169 0.000 1.136 354 T CB -0.145 68.914 68.868 0.319 0.000 1.035 354 T HN 0.647 nan 8.240 nan 0.000 0.538 355 H N -0.390 118.642 119.070 -0.063 0.000 3.237 355 H HA -0.228 4.328 4.556 -0.000 0.000 0.231 355 H C 1.449 176.739 175.328 -0.064 0.000 1.148 355 H CA 0.878 56.876 56.048 -0.085 0.000 1.155 355 H CB -1.756 27.970 29.762 -0.061 0.000 1.210 355 H HN 0.638 nan 8.280 nan 0.000 0.317 356 A N 0.260 123.092 122.820 0.020 0.000 1.972 356 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 356 A C 2.482 180.042 177.584 -0.041 0.000 1.169 356 A CA 2.004 54.038 52.037 -0.003 0.000 0.635 356 A CB -0.745 18.255 19.000 -0.001 0.000 0.810 356 A HN 0.713 nan 8.150 nan 0.000 0.446 357 S N -0.241 115.410 115.700 -0.080 0.000 2.420 357 S HA -0.077 4.393 4.470 -0.000 0.000 0.237 357 S C 0.842 175.396 174.600 -0.077 0.000 1.023 357 S CA 0.738 58.888 58.200 -0.082 0.000 0.991 357 S CB -0.641 62.473 63.200 -0.143 0.000 0.792 357 S HN 0.337 nan 8.310 nan 0.000 0.488 358 I N 3.108 123.578 120.570 -0.165 0.000 2.496 358 I HA 0.336 4.506 4.170 -0.000 0.000 0.285 358 I C -2.450 173.550 176.117 -0.195 0.000 1.080 358 I CA -2.701 58.411 61.300 -0.312 0.000 1.404 358 I CB -0.177 37.628 38.000 -0.326 0.000 1.403 358 I HN 0.072 nan 8.210 nan 0.000 0.539 359 P HA 0.015 nan 4.420 nan 0.000 0.262 359 P C 1.332 178.571 177.300 -0.102 0.000 1.182 359 P CA -0.066 62.972 63.100 -0.103 0.000 0.761 359 P CB 0.627 32.284 31.700 -0.072 0.000 0.795 360 V N 3.336 123.214 119.914 -0.059 0.000 2.311 360 V HA -0.384 3.736 4.120 -0.000 0.000 0.259 360 V C 2.277 178.342 176.094 -0.048 0.000 1.086 360 V CA 2.790 65.063 62.300 -0.047 0.000 1.078 360 V CB -1.567 30.236 31.823 -0.033 0.000 0.668 360 V HN 0.727 nan 8.190 nan 0.000 0.452 361 A N -0.395 122.397 122.820 -0.046 0.000 1.897 361 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 361 A C 2.352 179.902 177.584 -0.056 0.000 1.181 361 A CA 1.627 53.642 52.037 -0.036 0.000 0.620 361 A CB -0.397 18.593 19.000 -0.016 0.000 0.821 361 A HN 0.576 nan 8.150 nan 0.000 0.443 362 R N -0.646 119.792 120.500 -0.102 0.000 2.066 362 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 362 R C 2.410 178.636 176.300 -0.123 0.000 1.131 362 R CA 1.083 57.096 56.100 -0.145 0.000 0.955 362 R CB -0.402 29.722 30.300 -0.293 0.000 0.851 362 R HN 0.427 nan 8.270 nan 0.000 0.432 363 R N 1.301 121.731 120.500 -0.118 0.000 2.136 363 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 363 R C 2.201 178.471 176.300 -0.051 0.000 1.131 363 R CA 2.084 58.138 56.100 -0.076 0.000 0.937 363 R CB -0.373 29.895 30.300 -0.052 0.000 0.863 363 R HN 0.387 nan 8.270 nan 0.000 0.435 364 E N 0.173 120.348 120.200 -0.041 0.000 2.085 364 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 364 E C 2.155 178.738 176.600 -0.029 0.000 0.994 364 E CA 1.141 57.524 56.400 -0.029 0.000 0.801 364 E CB -0.063 29.623 29.700 -0.023 0.000 0.743 364 E HN 0.328 nan 8.360 nan 0.000 0.453 365 Q N 0.282 120.062 119.800 -0.033 0.000 2.119 365 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 365 Q C 2.087 178.070 176.000 -0.028 0.000 0.972 365 Q CA 0.942 56.731 55.803 -0.024 0.000 0.847 365 Q CB 0.127 28.854 28.738 -0.019 0.000 0.903 365 Q HN 0.334 nan 8.270 nan 0.000 0.433 366 L N -1.454 119.743 121.223 -0.043 0.000 2.341 366 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 366 L C 1.375 178.219 176.870 -0.043 0.000 1.115 366 L CA 0.652 55.466 54.840 -0.045 0.000 0.820 366 L CB 0.044 42.064 42.059 -0.064 0.000 0.944 366 L HN 0.448 nan 8.230 nan 0.000 0.452 367 G N 0.765 109.540 108.800 -0.041 0.000 2.141 367 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 367 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 367 G C 0.308 175.184 174.900 -0.039 0.000 0.984 367 G CA -0.224 44.854 45.100 -0.037 0.000 0.660 367 G HN 0.309 nan 8.290 nan 0.000 0.525 368 I N 2.694 123.236 120.570 -0.046 0.000 2.734 368 I HA 0.155 4.325 4.170 -0.000 0.000 0.301 368 I C 1.540 177.653 176.117 -0.007 0.000 1.127 368 I CA 0.529 61.803 61.300 -0.044 0.000 2.292 368 I CB -0.399 37.559 38.000 -0.070 0.000 1.590 368 I HN 0.310 nan 8.210 nan 0.000 1.053 369 S N 2.182 117.879 115.700 -0.006 0.000 2.550 369 S HA -0.114 4.356 4.470 -0.000 0.000 0.285 369 S C 1.211 175.859 174.600 0.080 0.000 1.326 369 S CA -0.123 58.088 58.200 0.019 0.000 1.037 369 S CB 0.551 63.748 63.200 -0.006 0.000 0.838 369 S HN 0.512 nan 8.310 nan 0.000 0.519 370 D N 2.484 122.964 120.400 0.133 0.000 2.310 370 D HA 0.084 4.724 4.640 -0.000 0.000 0.212 370 D C 1.552 178.035 176.300 0.306 0.000 0.965 370 D CA 1.302 55.487 54.000 0.307 0.000 0.879 370 D CB -0.284 40.691 40.800 0.292 0.000 0.921 370 D HN 0.592 nan 8.370 nan 0.000 0.510 371 A N -0.158 122.724 122.820 0.104 0.000 2.308 371 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 371 A C 0.817 178.304 177.584 -0.161 0.000 1.216 371 A CA -0.318 51.710 52.037 -0.014 0.000 0.864 371 A CB -0.130 18.861 19.000 -0.016 0.000 0.902 371 A HN 0.218 nan 8.150 nan 0.000 0.499 372 L N 1.394 122.520 121.223 -0.162 0.000 2.290 372 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 372 L C -0.252 176.419 176.870 -0.333 0.000 1.078 372 L CA -0.469 54.255 54.840 -0.194 0.000 0.815 372 L CB 1.519 43.515 42.059 -0.105 0.000 1.162 372 L HN 0.158 nan 8.230 nan 0.000 0.435 373 V N 4.421 124.169 119.914 -0.277 0.000 2.555 373 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 373 V C -0.476 175.575 176.094 -0.073 0.000 1.038 373 V CA -0.839 61.340 62.300 -0.202 0.000 0.887 373 V CB 1.739 33.486 31.823 -0.126 0.000 0.991 373 V HN 0.915 nan 8.190 nan 0.000 0.434 374 R N 4.714 125.215 120.500 0.001 0.000 2.221 374 R HA 0.580 4.919 4.340 -0.000 0.000 0.327 374 R C -1.159 175.194 176.300 0.089 0.000 1.033 374 R CA -0.603 55.531 56.100 0.056 0.000 0.887 374 R CB 0.917 31.273 30.300 0.094 0.000 1.057 374 R HN 0.896 nan 8.270 nan 0.000 0.455 375 L N 3.053 124.331 121.223 0.091 0.000 2.272 375 L HA 0.245 4.585 4.340 -0.000 0.000 0.289 375 L C 0.214 177.196 176.870 0.187 0.000 1.032 375 L CA -0.387 54.544 54.840 0.151 0.000 0.810 375 L CB 1.829 43.938 42.059 0.084 0.000 1.205 375 L HN 0.547 nan 8.230 nan 0.000 0.422 376 S N 3.513 119.343 115.700 0.217 0.000 2.434 376 S HA 0.389 4.859 4.470 -0.000 0.000 0.318 376 S C -0.343 174.357 174.600 0.166 0.000 1.062 376 S CA -0.630 57.634 58.200 0.106 0.000 1.116 376 S CB 0.456 63.644 63.200 -0.020 0.000 0.977 376 S HN 0.305 nan 8.310 nan 0.000 0.480 377 V N 5.941 125.976 119.914 0.201 0.000 2.408 377 V HA 0.483 4.603 4.120 -0.000 0.000 0.267 377 V C 1.380 177.592 176.094 0.196 0.000 1.047 377 V CA -0.046 62.383 62.300 0.215 0.000 0.937 377 V CB 0.687 32.659 31.823 0.248 0.000 0.999 377 V HN 0.911 nan 8.190 nan 0.000 0.472 378 G N 3.838 112.648 108.800 0.016 0.000 2.509 378 G HA2 0.452 4.412 3.960 -0.000 0.000 0.269 378 G HA3 0.452 4.412 3.960 -0.000 0.000 0.269 378 G C 0.623 175.487 174.900 -0.060 0.000 1.416 378 G CA -0.376 44.762 45.100 0.063 0.000 1.052 378 G HN 0.890 nan 8.290 nan 0.000 0.542 379 I N -2.078 118.389 120.570 -0.172 0.000 3.904 379 I HA 0.381 4.551 4.170 -0.000 0.000 0.333 379 I C -0.018 176.014 176.117 -0.141 0.000 1.361 379 I CA -0.324 60.846 61.300 -0.216 0.000 1.116 379 I CB -0.066 37.760 38.000 -0.291 0.000 1.028 379 I HN 0.125 nan 8.210 nan 0.000 0.398 380 E N 2.240 122.361 120.200 -0.132 0.000 2.435 380 E HA -0.017 4.333 4.350 -0.000 0.000 0.256 380 E C 0.136 176.685 176.600 -0.085 0.000 1.245 380 E CA -0.101 56.233 56.400 -0.111 0.000 0.989 380 E CB 0.284 29.903 29.700 -0.133 0.000 0.983 380 E HN 0.240 nan 8.360 nan 0.000 0.480 381 D N 0.801 121.159 120.400 -0.070 0.000 2.488 381 D HA -0.105 4.535 4.640 -0.000 0.000 0.238 381 D C 0.898 177.166 176.300 -0.054 0.000 1.138 381 D CA -0.266 53.700 54.000 -0.057 0.000 0.873 381 D CB 0.754 41.524 40.800 -0.050 0.000 1.183 381 D HN 0.294 nan 8.370 nan 0.000 0.458 382 L N 5.495 126.689 121.223 -0.049 0.000 2.012 382 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 382 L C 2.218 179.044 176.870 -0.074 0.000 1.073 382 L CA 2.577 57.388 54.840 -0.048 0.000 0.748 382 L CB -1.049 40.983 42.059 -0.045 0.000 0.891 382 L HN 0.661 nan 8.230 nan 0.000 0.431 383 G N -1.335 107.415 108.800 -0.082 0.000 2.408 383 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 383 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 383 G C 1.271 176.118 174.900 -0.088 0.000 1.150 383 G CA 0.746 45.782 45.100 -0.106 0.000 0.776 383 G HN 0.438 nan 8.290 nan 0.000 0.542 384 D N 0.648 121.012 120.400 -0.059 0.000 2.097 384 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 384 D C 2.677 178.971 176.300 -0.010 0.000 0.989 384 D CA 0.501 54.477 54.000 -0.039 0.000 0.827 384 D CB -0.266 40.509 40.800 -0.042 0.000 0.966 384 D HN 0.282 nan 8.370 nan 0.000 0.456 385 L N 0.306 121.530 121.223 0.002 0.000 2.017 385 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 385 L C 2.723 179.673 176.870 0.132 0.000 1.073 385 L CA 1.038 55.951 54.840 0.122 0.000 0.745 385 L CB -0.396 41.734 42.059 0.119 0.000 0.894 385 L HN -0.015 nan 8.230 nan 0.000 0.432 386 R N 0.189 120.647 120.500 -0.069 0.000 2.097 386 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 386 R C 2.302 178.473 176.300 -0.214 0.000 1.135 386 R CA 1.822 57.718 56.100 -0.340 0.000 0.934 386 R CB -0.761 29.171 30.300 -0.613 0.000 0.846 386 R HN 0.441 nan 8.270 nan 0.000 0.431 387 G N 0.464 109.186 108.800 -0.130 0.000 2.513 387 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.219 387 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.219 387 G C 1.044 175.974 174.900 0.050 0.000 1.160 387 G CA 1.481 46.564 45.100 -0.029 0.000 0.767 387 G HN 0.481 nan 8.290 nan 0.000 0.571 388 D N -0.057 120.393 120.400 0.085 0.000 2.149 388 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 388 D C 2.590 178.980 176.300 0.150 0.000 0.990 388 D CA 0.788 54.870 54.000 0.136 0.000 0.839 388 D CB -0.192 40.737 40.800 0.215 0.000 0.948 388 D HN 0.369 nan 8.370 nan 0.000 0.460 389 L N -0.185 121.154 121.223 0.193 0.000 2.044 389 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 389 L C 2.478 179.533 176.870 0.309 0.000 1.075 389 L CA 1.062 56.045 54.840 0.239 0.000 0.747 389 L CB -0.606 41.633 42.059 0.300 0.000 0.903 389 L HN 0.067 nan 8.230 nan 0.000 0.435 390 E N 1.042 121.466 120.200 0.374 0.000 2.048 390 E HA -0.281 4.069 4.350 -0.000 0.000 0.202 390 E C 2.228 178.965 176.600 0.228 0.000 1.021 390 E CA 1.860 58.480 56.400 0.366 0.000 0.825 390 E CB -0.079 29.820 29.700 0.332 0.000 0.756 390 E HN 0.208 nan 8.360 nan 0.000 0.454 391 R N -0.441 120.152 120.500 0.156 0.000 2.120 391 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 391 R C 2.370 178.728 176.300 0.097 0.000 1.123 391 R CA 1.001 57.165 56.100 0.107 0.000 0.975 391 R CB -0.332 30.009 30.300 0.068 0.000 0.866 391 R HN 0.286 nan 8.270 nan 0.000 0.446 392 A N 0.909 123.791 122.820 0.104 0.000 1.930 392 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 392 A C 2.063 179.817 177.584 0.283 0.000 1.175 392 A CA 1.048 53.135 52.037 0.083 0.000 0.627 392 A CB -0.303 18.615 19.000 -0.136 0.000 0.815 392 A HN 0.177 nan 8.150 nan 0.000 0.443 393 L N -1.016 120.376 121.223 0.281 0.000 2.179 393 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 393 L C 0.629 177.580 176.870 0.136 0.000 1.096 393 L CA 0.205 55.140 54.840 0.158 0.000 0.779 393 L CB -0.140 41.871 42.059 -0.080 0.000 0.922 393 L HN 0.169 nan 8.230 nan 0.000 0.443 394 V N 0.000 120.004 119.914 0.150 0.000 2.409 394 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 394 V CA 0.000 62.376 62.300 0.126 0.000 1.235 394 V CB 0.000 31.913 31.823 0.150 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556