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 3i5u_1_A DATA FIRST_RESID 5 DATA SEQUENCE AAHIGLRALA DLATPMAVRV AATLRVADHI AAGHRTAAEI ASAAGAHADS DATA SEQUENCE LDRLLRHLVA VGLFTRDGQG VYGLTEFGEQ LRDDHAAGKR KWLDMNSAVG DATA SEQUENCE RGDLGFVELA HSIRTGQPAY PVRYGTSFWE DLGSDPVLSA SFDTLMSHHL DATA SEQUENCE ELDYTGIAAK YDWAALGHVV DVGGGSGGLL SALLTAHEDL SGTVLDLQGP DATA SEQUENCE ASAAHRRFLD TGLSGRAQVV VGSFFDPLPA GAGGYVLSAV LHDWDDLSAV DATA SEQUENCE AILRRCAEAA GSGGVVLVIE AVAGXXXAGT GMDLRMLTYF GGKERSLAEL DATA SEQUENCE GELAAQAGLA VRAAHPISYV SIVEMTAL 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.590 177.584 0.010 0.000 1.274 5 A CA 0.000 52.038 52.037 0.001 0.000 0.836 5 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 6 A N 0.172 123.006 122.820 0.022 0.000 5.695 6 A HA -0.190 4.129 4.320 -0.001 0.000 0.297 6 A C 0.408 178.045 177.584 0.089 0.000 1.947 6 A CA 1.398 53.462 52.037 0.045 0.000 0.717 6 A CB -1.083 17.935 19.000 0.030 0.000 1.252 6 A HN 2.269 nan 8.150 nan 0.000 0.378 7 H N 0.097 119.166 119.070 -0.002 0.000 2.380 7 H HA 0.531 5.086 4.556 -0.001 0.000 0.231 7 H C 0.722 176.050 175.328 -0.000 0.000 1.415 7 H CA 0.133 56.180 56.048 -0.002 0.000 1.433 7 H CB -0.285 29.477 29.762 -0.001 0.000 1.544 7 H HN 0.515 nan 8.280 nan 0.000 0.503 8 I N 1.973 122.340 120.570 -0.339 0.000 2.315 8 I HA -0.017 4.152 4.170 -0.001 0.000 0.248 8 I C 1.087 176.963 176.117 -0.401 0.000 1.117 8 I CA 1.540 62.639 61.300 -0.334 0.000 1.404 8 I CB 0.043 37.955 38.000 -0.148 0.000 1.071 8 I HN 0.773 nan 8.210 nan 0.000 0.419 9 G N 0.146 108.738 108.800 -0.346 0.000 3.187 9 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.682 9 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.682 9 G C 0.078 174.939 174.900 -0.065 0.000 1.266 9 G CA -0.691 44.319 45.100 -0.149 0.000 0.902 9 G HN 0.054 nan 8.290 nan 0.000 0.589 10 L N 0.792 122.007 121.223 -0.013 0.000 2.051 10 L HA -0.183 4.157 4.340 -0.001 0.000 0.214 10 L C 3.136 179.997 176.870 -0.015 0.000 1.076 10 L CA 2.508 57.344 54.840 -0.006 0.000 0.758 10 L CB -0.120 41.945 42.059 0.010 0.000 0.890 10 L HN 0.773 nan 8.230 nan 0.000 0.433 11 R N -0.568 119.923 120.500 -0.015 0.000 2.081 11 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 11 R C 2.234 178.522 176.300 -0.019 0.000 1.131 11 R CA 1.558 57.649 56.100 -0.014 0.000 0.960 11 R CB -0.290 30.004 30.300 -0.010 0.000 0.856 11 R HN 0.424 nan 8.270 nan 0.000 0.436 12 A N 0.055 122.857 122.820 -0.030 0.000 1.968 12 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 12 A C 1.920 179.485 177.584 -0.032 0.000 1.169 12 A CA 0.861 52.880 52.037 -0.030 0.000 0.638 12 A CB -0.402 18.570 19.000 -0.046 0.000 0.812 12 A HN 0.336 nan 8.150 nan 0.000 0.446 13 L N -0.871 120.329 121.223 -0.038 0.000 2.275 13 L HA 0.110 4.449 4.340 -0.001 0.000 0.215 13 L C 2.036 178.888 176.870 -0.030 0.000 1.119 13 L CA 1.677 56.497 54.840 -0.034 0.000 0.790 13 L CB -0.231 41.810 42.059 -0.031 0.000 0.919 13 L HN 0.293 nan 8.230 nan 0.000 0.443 14 A N -1.578 121.227 122.820 -0.025 0.000 2.500 14 A HA 0.156 4.476 4.320 -0.001 0.000 0.267 14 A C 0.280 177.850 177.584 -0.022 0.000 1.290 14 A CA -0.293 51.730 52.037 -0.024 0.000 0.928 14 A CB -0.680 18.310 19.000 -0.017 0.000 1.066 14 A HN 0.405 nan 8.150 nan 0.000 0.516 15 D N -0.208 120.180 120.400 -0.019 0.000 2.424 15 D HA 0.278 4.918 4.640 -0.001 0.000 0.244 15 D C 0.863 177.153 176.300 -0.017 0.000 1.134 15 D CA 0.294 54.286 54.000 -0.013 0.000 0.881 15 D CB 0.502 41.303 40.800 0.002 0.000 1.191 15 D HN 0.205 nan 8.370 nan 0.000 0.445 16 L N 3.277 124.488 121.223 -0.020 0.000 2.642 16 L HA 0.240 4.580 4.340 -0.001 0.000 0.233 16 L C 2.247 179.100 176.870 -0.029 0.000 1.077 16 L CA 0.240 55.068 54.840 -0.022 0.000 0.879 16 L CB -0.204 41.843 42.059 -0.021 0.000 1.151 16 L HN 0.536 nan 8.230 nan 0.000 0.495 17 A N 0.412 123.202 122.820 -0.050 0.000 1.892 17 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 17 A C 2.326 179.858 177.584 -0.087 0.000 1.188 17 A CA 2.701 54.669 52.037 -0.116 0.000 0.631 17 A CB -0.844 18.037 19.000 -0.199 0.000 0.822 17 A HN 0.317 nan 8.150 nan 0.000 0.447 18 T N -0.081 114.501 114.554 0.047 0.000 2.668 18 T HA -0.051 4.299 4.350 -0.001 0.000 0.262 18 T C -0.168 174.569 174.700 0.061 0.000 1.045 18 T CA 1.600 63.807 62.100 0.178 0.000 1.152 18 T CB -0.926 68.052 68.868 0.183 0.000 0.864 18 T HN 0.484 nan 8.240 nan 0.000 0.419 19 P HA -0.058 nan 4.420 nan 0.000 0.217 19 P C 1.545 178.856 177.300 0.019 0.000 1.150 19 P CA 1.139 64.244 63.100 0.008 0.000 0.832 19 P CB -0.127 31.569 31.700 -0.005 0.000 0.787 20 M N -0.270 119.338 119.600 0.013 0.000 2.175 20 M HA -0.046 4.433 4.480 -0.001 0.000 0.264 20 M C 2.326 178.638 176.300 0.019 0.000 1.063 20 M CA 1.511 56.821 55.300 0.016 0.000 1.119 20 M CB -1.965 30.634 32.600 -0.003 0.000 1.377 20 M HN -0.073 nan 8.290 nan 0.000 0.415 21 A N -0.241 122.589 122.820 0.017 0.000 1.902 21 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 21 A C 2.438 180.054 177.584 0.053 0.000 1.181 21 A CA 1.762 53.826 52.037 0.044 0.000 0.623 21 A CB -0.935 18.128 19.000 0.105 0.000 0.818 21 A HN 0.293 nan 8.150 nan 0.000 0.443 22 V N -0.133 119.798 119.914 0.029 0.000 2.295 22 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 22 V C 2.619 178.733 176.094 0.034 0.000 1.049 22 V CA 2.281 64.581 62.300 -0.001 0.000 1.024 22 V CB -0.840 30.956 31.823 -0.044 0.000 0.648 22 V HN 0.529 nan 8.190 nan 0.000 0.447 23 R N -0.350 120.177 120.500 0.046 0.000 2.091 23 R HA -0.138 4.202 4.340 -0.001 0.000 0.238 23 R C 2.206 178.546 176.300 0.066 0.000 1.136 23 R CA 1.527 57.668 56.100 0.067 0.000 0.959 23 R CB -0.590 29.756 30.300 0.076 0.000 0.856 23 R HN 0.409 nan 8.270 nan 0.000 0.437 24 V N 0.759 120.707 119.914 0.056 0.000 2.427 24 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 24 V C 2.381 178.516 176.094 0.067 0.000 1.051 24 V CA 1.849 64.181 62.300 0.054 0.000 1.048 24 V CB -0.675 31.172 31.823 0.041 0.000 0.666 24 V HN 0.419 nan 8.190 nan 0.000 0.456 25 A N 0.303 123.173 122.820 0.084 0.000 1.858 25 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 25 A C 2.481 180.129 177.584 0.106 0.000 1.190 25 A CA 2.260 54.370 52.037 0.121 0.000 0.617 25 A CB -0.976 18.129 19.000 0.175 0.000 0.827 25 A HN 0.566 nan 8.150 nan 0.000 0.443 26 A N -0.926 121.947 122.820 0.088 0.000 1.892 26 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 26 A C 2.315 179.942 177.584 0.073 0.000 1.188 26 A CA 2.587 54.674 52.037 0.082 0.000 0.631 26 A CB -1.493 17.560 19.000 0.088 0.000 0.822 26 A HN 0.466 nan 8.150 nan 0.000 0.447 27 T N 0.235 114.831 114.554 0.070 0.000 2.788 27 T HA -0.035 4.315 4.350 -0.001 0.000 0.268 27 T C 1.569 176.303 174.700 0.058 0.000 1.044 27 T CA 1.373 63.509 62.100 0.059 0.000 1.139 27 T CB -0.288 68.614 68.868 0.056 0.000 0.867 27 T HN 0.364 nan 8.240 nan 0.000 0.454 28 L N 0.031 121.296 121.223 0.069 0.000 2.558 28 L HA 0.256 4.595 4.340 -0.001 0.000 0.225 28 L C 0.911 177.855 176.870 0.124 0.000 1.128 28 L CA 0.140 55.033 54.840 0.090 0.000 0.868 28 L CB -0.226 41.877 42.059 0.074 0.000 1.006 28 L HN 0.194 nan 8.230 nan 0.000 0.454 29 R N -1.939 118.600 120.500 0.064 0.000 3.758 29 R HA -0.179 4.161 4.340 -0.001 0.000 0.299 29 R C 1.271 177.572 176.300 0.002 0.000 1.182 29 R CA 0.359 56.447 56.100 -0.020 0.000 0.809 29 R CB -2.471 27.733 30.300 -0.160 0.000 1.249 29 R HN 0.122 nan 8.270 nan 0.000 0.497 30 V N -0.347 119.645 119.914 0.129 0.000 2.313 30 V HA -0.401 3.719 4.120 -0.001 0.000 0.253 30 V C 2.689 178.811 176.094 0.048 0.000 1.070 30 V CA 2.459 64.822 62.300 0.105 0.000 1.057 30 V CB -0.697 31.122 31.823 -0.008 0.000 0.653 30 V HN 0.703 nan 8.190 nan 0.000 0.450 31 A N -0.192 122.694 122.820 0.110 0.000 1.877 31 A HA -0.256 4.064 4.320 -0.001 0.000 0.216 31 A C 2.026 179.648 177.584 0.064 0.000 1.186 31 A CA 2.020 54.143 52.037 0.143 0.000 0.620 31 A CB -0.617 18.501 19.000 0.196 0.000 0.822 31 A HN 0.575 nan 8.150 nan 0.000 0.443 32 D N -0.984 119.405 120.400 -0.018 0.000 2.178 32 D HA -0.122 4.517 4.640 -0.001 0.000 0.202 32 D C 1.671 177.918 176.300 -0.087 0.000 0.974 32 D CA 1.121 55.074 54.000 -0.079 0.000 0.841 32 D CB -0.455 40.243 40.800 -0.169 0.000 0.953 32 D HN 0.564 nan 8.370 nan 0.000 0.478 33 H N 0.513 119.574 119.070 -0.015 0.000 2.357 33 H HA 0.035 4.591 4.556 -0.001 0.000 0.301 33 H C 2.490 177.861 175.328 0.071 0.000 1.082 33 H CA 0.456 56.472 56.048 -0.054 0.000 1.342 33 H CB -0.049 29.618 29.762 -0.159 0.000 1.389 33 H HN 0.201 nan 8.280 nan 0.000 0.511 34 I N 0.596 121.258 120.570 0.153 0.000 2.179 34 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 34 I C 2.747 178.939 176.117 0.125 0.000 1.088 34 I CA 1.059 62.429 61.300 0.117 0.000 1.357 34 I CB -0.300 37.726 38.000 0.044 0.000 1.051 34 I HN 0.150 nan 8.210 nan 0.000 0.409 35 A N 0.622 123.507 122.820 0.108 0.000 1.972 35 A HA -0.072 4.247 4.320 -0.001 0.000 0.219 35 A C 2.304 179.950 177.584 0.103 0.000 1.169 35 A CA 1.554 53.648 52.037 0.094 0.000 0.635 35 A CB -0.660 18.388 19.000 0.079 0.000 0.810 35 A HN 0.433 nan 8.150 nan 0.000 0.446 36 A N -1.690 121.217 122.820 0.145 0.000 2.261 36 A HA 0.402 4.722 4.320 -0.001 0.000 0.208 36 A C 1.723 179.417 177.584 0.183 0.000 1.223 36 A CA 1.214 53.358 52.037 0.179 0.000 0.833 36 A CB -1.113 18.026 19.000 0.232 0.000 0.830 36 A HN 1.856 nan 8.150 nan 0.000 0.483 37 G N -1.490 107.389 108.800 0.130 0.000 2.194 37 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.236 37 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.236 37 G C -0.053 174.807 174.900 -0.068 0.000 0.987 37 G CA 0.246 45.349 45.100 0.005 0.000 0.635 37 G HN 0.724 nan 8.290 nan 0.000 0.520 38 H N 0.308 119.404 119.070 0.043 0.000 2.782 38 H HA 0.666 5.222 4.556 -0.001 0.000 0.285 38 H C 1.363 176.707 175.328 0.026 0.000 1.093 38 H CA -0.001 56.062 56.048 0.025 0.000 1.410 38 H CB 0.865 30.633 29.762 0.011 0.000 1.439 38 H HN 0.344 nan 8.280 nan 0.000 0.469 39 R N 1.025 121.588 120.500 0.104 0.000 2.369 39 R HA 0.068 4.408 4.340 -0.001 0.000 0.210 39 R C 0.350 176.751 176.300 0.168 0.000 0.881 39 R CA 0.383 56.550 56.100 0.113 0.000 1.031 39 R CB 0.609 30.953 30.300 0.074 0.000 1.184 39 R HN 0.612 nan 8.270 nan 0.000 0.581 40 T N -2.206 112.420 114.554 0.120 0.000 2.899 40 T HA 0.456 4.805 4.350 -0.001 0.000 0.284 40 T C 1.378 176.158 174.700 0.132 0.000 1.004 40 T CA -0.202 61.983 62.100 0.141 0.000 1.043 40 T CB 1.992 70.897 68.868 0.063 0.000 1.013 40 T HN 0.064 nan 8.240 nan 0.000 0.518 41 A N 1.668 124.588 122.820 0.166 0.000 1.908 41 A HA 0.126 4.446 4.320 -0.001 0.000 0.218 41 A C 2.635 180.215 177.584 -0.007 0.000 1.181 41 A CA 1.972 54.040 52.037 0.051 0.000 0.627 41 A CB -1.555 17.498 19.000 0.088 0.000 0.818 41 A HN 1.281 nan 8.150 nan 0.000 0.445 42 A N -0.106 122.718 122.820 0.007 0.000 1.877 42 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 42 A C 1.924 179.495 177.584 -0.020 0.000 1.186 42 A CA 1.744 53.769 52.037 -0.021 0.000 0.620 42 A CB -0.574 18.418 19.000 -0.013 0.000 0.822 42 A HN 0.663 nan 8.150 nan 0.000 0.443 43 E N -0.060 120.148 120.200 0.014 0.000 2.017 43 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 43 E C 1.993 178.591 176.600 -0.003 0.000 0.997 43 E CA 1.280 57.714 56.400 0.057 0.000 0.804 43 E CB -0.359 29.406 29.700 0.108 0.000 0.757 43 E HN 0.562 nan 8.360 nan 0.000 0.448 44 I N 1.548 122.094 120.570 -0.039 0.000 2.145 44 I HA -0.323 3.847 4.170 -0.001 0.000 0.244 44 I C 2.617 178.578 176.117 -0.261 0.000 1.075 44 I CA 1.537 62.728 61.300 -0.181 0.000 1.332 44 I CB -1.329 36.576 38.000 -0.159 0.000 1.033 44 I HN 0.085 nan 8.210 nan 0.000 0.410 45 A N 0.133 122.857 122.820 -0.160 0.000 1.940 45 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 45 A C 2.625 180.120 177.584 -0.148 0.000 1.176 45 A CA 2.290 54.244 52.037 -0.139 0.000 0.631 45 A CB -0.788 18.152 19.000 -0.100 0.000 0.814 45 A HN 0.445 nan 8.150 nan 0.000 0.446 46 S N -0.651 114.969 115.700 -0.133 0.000 2.368 46 S HA 0.003 4.473 4.470 -0.001 0.000 0.224 46 S C 2.187 176.686 174.600 -0.168 0.000 1.029 46 S CA 1.424 59.559 58.200 -0.108 0.000 0.988 46 S CB -0.441 62.725 63.200 -0.055 0.000 0.838 46 S HN 0.804 nan 8.310 nan 0.000 0.462 47 A N 0.644 123.279 122.820 -0.307 0.000 1.972 47 A HA 0.263 4.583 4.320 -0.001 0.000 0.219 47 A C 2.179 179.453 177.584 -0.517 0.000 1.169 47 A CA 1.720 53.450 52.037 -0.512 0.000 0.635 47 A CB -0.812 17.573 19.000 -1.026 0.000 0.810 47 A HN 0.699 nan 8.150 nan 0.000 0.446 48 A N -2.177 120.356 122.820 -0.478 0.000 2.220 48 A HA 0.448 4.768 4.320 -0.001 0.000 0.211 48 A C 1.626 179.162 177.584 -0.079 0.000 1.176 48 A CA 1.087 53.008 52.037 -0.193 0.000 0.834 48 A CB -0.573 18.348 19.000 -0.132 0.000 0.868 48 A HN 1.889 nan 8.150 nan 0.000 0.488 49 G N -1.207 107.536 108.800 -0.095 0.000 2.212 49 G HA2 0.185 4.144 3.960 -0.001 0.000 0.255 49 G HA3 0.185 4.144 3.960 -0.001 0.000 0.255 49 G C 0.202 175.088 174.900 -0.024 0.000 1.062 49 G CA 0.445 45.518 45.100 -0.046 0.000 0.815 49 G HN 1.535 nan 8.290 nan 0.000 0.497 50 A N -0.409 122.390 122.820 -0.035 0.000 2.346 50 A HA 0.781 5.100 4.320 -0.001 0.000 0.313 50 A C 0.182 177.779 177.584 0.022 0.000 1.140 50 A CA -0.529 51.510 52.037 0.004 0.000 0.826 50 A CB 0.867 19.863 19.000 -0.006 0.000 1.332 50 A HN 0.820 nan 8.150 nan 0.000 0.457 51 H N 1.438 120.490 119.070 -0.030 0.000 2.899 51 H HA 0.312 4.868 4.556 -0.001 0.000 0.303 51 H C 1.320 176.633 175.328 -0.026 0.000 1.042 51 H CA 0.449 56.483 56.048 -0.024 0.000 1.479 51 H CB 1.281 31.033 29.762 -0.018 0.000 1.493 51 H HN 0.720 nan 8.280 nan 0.000 0.534 52 A N 5.246 127.882 122.820 -0.306 0.000 1.869 52 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 52 A C 2.078 179.621 177.584 -0.068 0.000 1.203 52 A CA 1.967 53.897 52.037 -0.179 0.000 0.638 52 A CB -0.312 18.570 19.000 -0.197 0.000 0.831 52 A HN 0.837 nan 8.150 nan 0.000 0.450 53 D N -0.280 120.078 120.400 -0.070 0.000 2.123 53 D HA -0.093 4.547 4.640 -0.001 0.000 0.196 53 D C 2.349 178.748 176.300 0.165 0.000 0.992 53 D CA 1.692 55.751 54.000 0.098 0.000 0.833 53 D CB -0.394 40.512 40.800 0.177 0.000 0.954 53 D HN 0.438 nan 8.370 nan 0.000 0.455 54 S N 0.838 116.733 115.700 0.326 0.000 2.368 54 S HA -0.134 4.336 4.470 -0.001 0.000 0.225 54 S C 1.945 176.595 174.600 0.084 0.000 1.030 54 S CA 0.382 58.680 58.200 0.163 0.000 0.999 54 S CB -0.275 62.998 63.200 0.122 0.000 0.844 54 S HN 0.155 nan 8.310 nan 0.000 0.459 55 L N 2.433 123.697 121.223 0.069 0.000 2.046 55 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 55 L C 1.879 178.728 176.870 -0.035 0.000 1.077 55 L CA 2.005 56.843 54.840 -0.003 0.000 0.747 55 L CB -0.894 41.140 42.059 -0.042 0.000 0.896 55 L HN 0.158 nan 8.230 nan 0.000 0.432 56 D N -0.646 119.751 120.400 -0.005 0.000 2.123 56 D HA -0.222 4.417 4.640 -0.001 0.000 0.196 56 D C 2.271 178.610 176.300 0.065 0.000 0.992 56 D CA 1.486 55.502 54.000 0.026 0.000 0.833 56 D CB 0.013 40.865 40.800 0.086 0.000 0.954 56 D HN 0.330 nan 8.370 nan 0.000 0.455 57 R N -0.612 119.929 120.500 0.069 0.000 2.096 57 R HA -0.061 4.279 4.340 -0.001 0.000 0.235 57 R C 2.292 178.644 176.300 0.086 0.000 1.127 57 R CA 0.877 57.024 56.100 0.079 0.000 0.968 57 R CB -0.367 29.968 30.300 0.059 0.000 0.861 57 R HN 0.253 nan 8.270 nan 0.000 0.440 58 L N 0.931 122.188 121.223 0.057 0.000 2.056 58 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 58 L C 1.882 178.826 176.870 0.124 0.000 1.078 58 L CA 1.602 56.488 54.840 0.077 0.000 0.749 58 L CB -0.229 41.856 42.059 0.042 0.000 0.901 58 L HN 0.104 nan 8.230 nan 0.000 0.433 59 L N -0.756 120.480 121.223 0.023 0.000 2.046 59 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 59 L C 2.769 179.754 176.870 0.192 0.000 1.077 59 L CA 1.359 56.186 54.840 -0.023 0.000 0.747 59 L CB -0.580 41.086 42.059 -0.655 0.000 0.896 59 L HN 0.219 nan 8.230 nan 0.000 0.432 60 R N -1.026 119.602 120.500 0.213 0.000 2.127 60 R HA -0.226 4.114 4.340 -0.001 0.000 0.238 60 R C 2.284 178.696 176.300 0.187 0.000 1.134 60 R CA 1.608 57.853 56.100 0.242 0.000 0.975 60 R CB -0.494 29.922 30.300 0.193 0.000 0.865 60 R HN 0.408 nan 8.270 nan 0.000 0.447 61 H N 0.501 119.628 119.070 0.095 0.000 2.363 61 H HA 0.044 4.600 4.556 -0.001 0.000 0.301 61 H C 1.768 177.122 175.328 0.043 0.000 1.074 61 H CA 1.265 57.346 56.048 0.055 0.000 1.354 61 H CB 0.032 29.814 29.762 0.033 0.000 1.397 61 H HN 0.050 nan 8.280 nan 0.000 0.516 62 L N -0.500 120.765 121.223 0.070 0.000 2.291 62 L HA -0.075 4.264 4.340 -0.001 0.000 0.214 62 L C 2.275 179.103 176.870 -0.070 0.000 1.120 62 L CA 0.363 55.167 54.840 -0.059 0.000 0.799 62 L CB -0.123 41.961 42.059 0.042 0.000 0.925 62 L HN 0.216 nan 8.230 nan 0.000 0.446 63 V N 0.298 120.286 119.914 0.122 0.000 2.307 63 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 63 V C 2.782 178.876 176.094 0.000 0.000 1.045 63 V CA 1.874 64.259 62.300 0.143 0.000 1.024 63 V CB -0.688 31.271 31.823 0.228 0.000 0.651 63 V HN 0.478 nan 8.190 nan 0.000 0.449 64 A N -0.280 122.510 122.820 -0.049 0.000 1.908 64 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 64 A C 2.345 179.830 177.584 -0.164 0.000 1.181 64 A CA 2.075 54.051 52.037 -0.102 0.000 0.627 64 A CB -0.729 18.194 19.000 -0.129 0.000 0.818 64 A HN 0.348 nan 8.150 nan 0.000 0.445 65 V N -0.951 118.799 119.914 -0.274 0.000 2.594 65 V HA 0.066 4.186 4.120 -0.001 0.000 0.253 65 V C 1.816 177.783 176.094 -0.213 0.000 1.069 65 V CA 1.640 63.776 62.300 -0.274 0.000 1.082 65 V CB -1.032 30.584 31.823 -0.344 0.000 0.680 65 V HN 1.292 nan 8.190 nan 0.000 0.469 66 G N -0.916 107.769 108.800 -0.193 0.000 2.151 66 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.156 66 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.156 66 G C 0.348 175.110 174.900 -0.231 0.000 1.017 66 G CA 0.241 45.261 45.100 -0.132 0.000 0.686 66 G HN 0.399 nan 8.290 nan 0.000 0.503 67 L N -1.551 119.429 121.223 -0.404 0.000 2.537 67 L HA 0.500 4.840 4.340 -0.001 0.000 0.224 67 L C 0.647 177.215 176.870 -0.504 0.000 1.065 67 L CA 0.287 54.756 54.840 -0.619 0.000 0.860 67 L CB 0.105 41.546 42.059 -1.031 0.000 1.086 67 L HN 0.143 nan 8.230 nan 0.000 0.482 68 F N -0.791 119.160 119.950 0.002 0.000 2.618 68 F HA 0.527 5.053 4.527 -0.001 0.000 0.332 68 F C 0.280 176.141 175.800 0.101 0.000 1.061 68 F CA -1.185 56.859 58.000 0.073 0.000 0.974 68 F CB 1.465 40.531 39.000 0.109 0.000 1.310 68 F HN -0.395 nan 8.300 nan 0.000 0.491 69 T N 1.321 116.096 114.554 0.367 0.000 2.912 69 T HA 0.635 4.985 4.350 -0.001 0.000 0.288 69 T C -1.061 173.720 174.700 0.135 0.000 1.030 69 T CA -0.813 61.404 62.100 0.196 0.000 1.020 69 T CB 1.964 70.912 68.868 0.135 0.000 1.056 69 T HN 0.523 nan 8.240 nan 0.000 0.480 70 R N 2.346 122.841 120.500 -0.008 0.000 2.510 70 R HA 0.349 4.689 4.340 -0.001 0.000 0.287 70 R C -1.619 174.582 176.300 -0.165 0.000 1.084 70 R CA -0.613 55.343 56.100 -0.239 0.000 0.934 70 R CB 1.158 31.238 30.300 -0.367 0.000 1.201 70 R HN 0.864 nan 8.270 nan 0.000 0.431 71 D N 2.325 122.621 120.400 -0.174 0.000 2.387 71 D HA 0.228 4.868 4.640 -0.001 0.000 0.255 71 D C 1.258 177.489 176.300 -0.114 0.000 1.081 71 D CA -0.417 53.520 54.000 -0.105 0.000 0.994 71 D CB 0.875 41.632 40.800 -0.072 0.000 1.127 71 D HN 0.498 nan 8.370 nan 0.000 0.513 72 G N -0.629 108.128 108.800 -0.072 0.000 2.499 72 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.221 72 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.221 72 G C 1.050 175.911 174.900 -0.064 0.000 1.109 72 G CA 0.611 45.675 45.100 -0.060 0.000 0.749 72 G HN 0.371 nan 8.290 nan 0.000 0.568 73 Q N -0.541 119.216 119.800 -0.071 0.000 2.425 73 Q HA 0.193 4.533 4.340 -0.001 0.000 0.204 73 Q C 1.761 177.711 176.000 -0.083 0.000 0.933 73 Q CA 0.631 56.397 55.803 -0.062 0.000 0.939 73 Q CB 0.156 28.865 28.738 -0.048 0.000 1.044 73 Q HN 0.595 nan 8.270 nan 0.000 0.513 74 G N 0.051 108.764 108.800 -0.146 0.000 2.130 74 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 74 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 74 G C -0.155 174.589 174.900 -0.259 0.000 0.999 74 G CA 0.108 45.079 45.100 -0.214 0.000 0.686 74 G HN 0.178 nan 8.290 nan 0.000 0.515 75 V N 1.122 120.901 119.914 -0.224 0.000 2.406 75 V HA 0.537 4.657 4.120 -0.001 0.000 0.272 75 V C 0.245 176.222 176.094 -0.194 0.000 1.043 75 V CA -0.678 61.545 62.300 -0.129 0.000 0.915 75 V CB 0.562 32.350 31.823 -0.058 0.000 0.988 75 V HN 0.259 nan 8.190 nan 0.000 0.466 76 Y N 2.825 123.108 120.300 -0.028 0.000 2.352 76 Y HA 0.724 5.274 4.550 -0.001 0.000 0.326 76 Y C 0.849 176.737 175.900 -0.020 0.000 1.166 76 Y CA 0.042 58.117 58.100 -0.042 0.000 1.182 76 Y CB 1.924 40.299 38.460 -0.142 0.000 1.216 76 Y HN 0.728 nan 8.280 nan 0.000 0.474 77 G N 1.780 110.698 108.800 0.196 0.000 2.733 77 G HA2 0.691 4.650 3.960 -0.001 0.000 0.288 77 G HA3 0.691 4.650 3.960 -0.001 0.000 0.288 77 G C -1.634 173.420 174.900 0.257 0.000 1.373 77 G CA -1.036 44.163 45.100 0.166 0.000 0.895 77 G HN 0.524 nan 8.290 nan 0.000 0.479 78 L N 0.062 121.427 121.223 0.237 0.000 2.387 78 L HA 0.694 5.034 4.340 -0.001 0.000 0.266 78 L C 1.014 178.001 176.870 0.195 0.000 1.059 78 L CA -0.844 54.171 54.840 0.293 0.000 0.801 78 L CB 1.982 44.183 42.059 0.238 0.000 1.223 78 L HN 0.760 nan 8.230 nan 0.000 0.456 79 T N -4.038 110.612 114.554 0.159 0.000 2.927 79 T HA 0.289 4.639 4.350 -0.001 0.000 0.286 79 T C 0.706 175.482 174.700 0.127 0.000 1.040 79 T CA -0.792 61.383 62.100 0.125 0.000 1.010 79 T CB 1.487 70.420 68.868 0.109 0.000 1.177 79 T HN 0.627 nan 8.240 nan 0.000 0.546 80 E N -0.379 119.890 120.200 0.114 0.000 2.114 80 E HA -0.137 4.212 4.350 -0.001 0.000 0.199 80 E C 1.426 178.108 176.600 0.135 0.000 1.008 80 E CA 1.209 57.668 56.400 0.100 0.000 0.810 80 E CB -0.286 29.449 29.700 0.058 0.000 0.739 80 E HN 0.546 nan 8.360 nan 0.000 0.456 81 F N 1.076 121.008 119.950 -0.031 0.000 2.084 81 F HA 0.015 4.542 4.527 -0.000 0.000 0.296 81 F C 2.402 178.135 175.800 -0.112 0.000 1.111 81 F CA 1.511 59.468 58.000 -0.072 0.000 1.224 81 F CB -0.972 37.979 39.000 -0.082 0.000 0.991 81 F HN -0.044 nan 8.300 nan 0.000 0.471 82 G N -0.185 108.667 108.800 0.087 0.000 2.564 82 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 82 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 82 G C 1.527 176.447 174.900 0.033 0.000 1.124 82 G CA 0.491 45.544 45.100 -0.078 0.000 0.764 82 G HN 0.311 nan 8.290 nan 0.000 0.550 83 E N 0.543 120.780 120.200 0.060 0.000 2.150 83 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 83 E C 2.435 178.953 176.600 -0.137 0.000 0.985 83 E CA 0.549 56.979 56.400 0.050 0.000 0.814 83 E CB -0.192 29.576 29.700 0.113 0.000 0.752 83 E HN 0.589 nan 8.360 nan 0.000 0.466 84 Q N 0.098 119.693 119.800 -0.342 0.000 2.561 84 Q HA -0.035 4.304 4.340 -0.001 0.000 0.217 84 Q C 1.915 177.794 176.000 -0.201 0.000 0.980 84 Q CA 0.359 55.766 55.803 -0.659 0.000 0.927 84 Q CB 0.001 28.546 28.738 -0.322 0.000 0.980 84 Q HN 0.254 nan 8.270 nan 0.000 0.525 85 L N -0.087 121.097 121.223 -0.064 0.000 2.477 85 L HA 0.057 4.397 4.340 -0.001 0.000 0.220 85 L C 0.530 177.441 176.870 0.068 0.000 1.106 85 L CA 0.023 54.878 54.840 0.024 0.000 0.851 85 L CB 0.218 42.305 42.059 0.047 0.000 0.994 85 L HN 0.071 nan 8.230 nan 0.000 0.462 86 R N 0.540 121.089 120.500 0.082 0.000 2.570 86 R HA -0.099 4.240 4.340 -0.001 0.000 0.277 86 R C 0.600 176.965 176.300 0.109 0.000 1.039 86 R CA 0.088 56.248 56.100 0.099 0.000 1.065 86 R CB 0.394 30.771 30.300 0.128 0.000 0.964 86 R HN 0.009 nan 8.270 nan 0.000 0.428 87 D N 1.531 121.969 120.400 0.063 0.000 2.309 87 D HA -0.152 4.488 4.640 -0.001 0.000 0.212 87 D C 0.716 177.053 176.300 0.061 0.000 0.968 87 D CA 1.313 55.346 54.000 0.055 0.000 0.882 87 D CB 0.240 41.048 40.800 0.013 0.000 0.918 87 D HN 0.636 nan 8.370 nan 0.000 0.503 88 D N -1.967 118.475 120.400 0.069 0.000 2.349 88 D HA -0.007 4.632 4.640 -0.001 0.000 0.214 88 D C 0.459 176.802 176.300 0.071 0.000 1.063 88 D CA -0.275 53.755 54.000 0.050 0.000 0.847 88 D CB -0.715 40.105 40.800 0.033 0.000 0.933 88 D HN 0.285 nan 8.370 nan 0.000 0.513 89 H N 0.220 119.312 119.070 0.037 0.000 2.948 89 H HA 0.341 4.897 4.556 -0.001 0.000 0.351 89 H C 1.564 176.918 175.328 0.044 0.000 1.079 89 H CA 0.601 56.679 56.048 0.049 0.000 1.407 89 H CB 1.247 31.052 29.762 0.071 0.000 1.373 89 H HN 0.011 nan 8.280 nan 0.000 0.605 90 A N 4.537 127.006 122.820 -0.586 0.000 1.908 90 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 90 A C 2.340 179.879 177.584 -0.075 0.000 1.181 90 A CA 1.818 53.675 52.037 -0.300 0.000 0.627 90 A CB -1.210 17.597 19.000 -0.321 0.000 0.818 90 A HN 0.852 nan 8.150 nan 0.000 0.445 91 A N -1.286 121.576 122.820 0.069 0.000 2.206 91 A HA 0.384 4.704 4.320 -0.001 0.000 0.211 91 A C 1.790 179.585 177.584 0.352 0.000 1.158 91 A CA 1.145 53.344 52.037 0.271 0.000 0.761 91 A CB -1.241 17.963 19.000 0.340 0.000 0.801 91 A HN 1.911 nan 8.150 nan 0.000 0.473 92 G N 0.074 109.035 108.800 0.268 0.000 2.421 92 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.300 92 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.300 92 G C 0.772 175.928 174.900 0.427 0.000 0.974 92 G CA 0.772 45.995 45.100 0.206 0.000 1.062 92 G HN 0.384 nan 8.290 nan 0.000 0.514 93 K N -0.317 120.304 120.400 0.369 0.000 2.262 93 K HA 0.110 4.429 4.320 -0.001 0.000 0.200 93 K C 2.368 179.177 176.600 0.348 0.000 1.049 93 K CA 0.512 57.019 56.287 0.367 0.000 0.979 93 K CB -0.146 32.474 32.500 0.199 0.000 0.773 93 K HN 0.548 nan 8.250 nan 0.000 0.474 94 R N 2.373 123.016 120.500 0.239 0.000 2.096 94 R HA -0.192 4.148 4.340 -0.001 0.000 0.240 94 R C 2.007 178.417 176.300 0.184 0.000 1.139 94 R CA 2.131 58.336 56.100 0.175 0.000 0.952 94 R CB -0.065 30.307 30.300 0.119 0.000 0.854 94 R HN 0.249 nan 8.270 nan 0.000 0.436 95 K N -1.264 119.242 120.400 0.177 0.000 2.209 95 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 95 K C 1.727 178.378 176.600 0.085 0.000 1.048 95 K CA 1.535 57.870 56.287 0.081 0.000 0.940 95 K CB -0.404 32.086 32.500 -0.017 0.000 0.729 95 K HN 0.258 nan 8.250 nan 0.000 0.451 96 W N 1.662 123.040 121.300 0.130 0.000 2.467 96 W HA 0.092 4.751 4.660 -0.001 0.000 0.275 96 W C 1.685 178.281 176.519 0.130 0.000 1.239 96 W CA 0.467 57.896 57.345 0.140 0.000 1.266 96 W CB -0.032 29.510 29.460 0.137 0.000 1.112 96 W HN -0.055 nan 8.180 nan 0.000 0.576 97 L N -0.588 120.823 121.223 0.314 0.000 2.529 97 L HA 0.079 4.419 4.340 -0.001 0.000 0.223 97 L C 0.752 177.716 176.870 0.156 0.000 1.113 97 L CA 0.052 55.021 54.840 0.216 0.000 0.861 97 L CB -0.578 41.582 42.059 0.167 0.000 1.012 97 L HN -0.228 nan 8.230 nan 0.000 0.461 98 D N 1.367 121.847 120.400 0.134 0.000 2.412 98 D HA -0.037 4.602 4.640 -0.001 0.000 0.257 98 D C 1.057 177.410 176.300 0.089 0.000 1.217 98 D CA 0.248 54.303 54.000 0.092 0.000 0.897 98 D CB 1.174 42.013 40.800 0.065 0.000 1.132 98 D HN 0.115 nan 8.370 nan 0.000 0.493 99 M N 3.204 122.853 119.600 0.081 0.000 2.623 99 M HA -0.150 4.329 4.480 -0.001 0.000 0.258 99 M C 1.151 177.483 176.300 0.052 0.000 1.067 99 M CA 0.666 56.012 55.300 0.077 0.000 1.068 99 M CB 0.041 32.682 32.600 0.068 0.000 1.409 99 M HN 0.301 nan 8.290 nan 0.000 0.504 100 N N -0.404 118.321 118.700 0.040 0.000 2.388 100 N HA 0.020 4.760 4.740 -0.001 0.000 0.176 100 N C 0.732 176.251 175.510 0.014 0.000 1.062 100 N CA 0.359 53.419 53.050 0.018 0.000 0.895 100 N CB 0.159 38.654 38.487 0.012 0.000 1.018 100 N HN 0.309 nan 8.380 nan 0.000 0.456 101 S N 0.216 115.935 115.700 0.032 0.000 2.600 101 S HA 0.433 4.902 4.470 -0.001 0.000 0.265 101 S C 1.504 176.148 174.600 0.074 0.000 1.325 101 S CA -0.141 58.077 58.200 0.031 0.000 1.002 101 S CB 1.703 64.905 63.200 0.004 0.000 0.921 101 S HN 0.206 nan 8.310 nan 0.000 0.554 102 A N 1.734 124.624 122.820 0.117 0.000 1.892 102 A HA -0.039 4.281 4.320 -0.001 0.000 0.218 102 A C 2.112 179.899 177.584 0.338 0.000 1.188 102 A CA 1.951 54.107 52.037 0.199 0.000 0.631 102 A CB -1.322 17.875 19.000 0.329 0.000 0.822 102 A HN 0.894 nan 8.150 nan 0.000 0.447 103 V N -0.489 119.640 119.914 0.358 0.000 2.719 103 V HA -0.043 4.077 4.120 -0.001 0.000 0.252 103 V C 2.657 178.967 176.094 0.359 0.000 1.065 103 V CA 1.452 64.015 62.300 0.438 0.000 1.086 103 V CB -1.003 31.090 31.823 0.451 0.000 0.700 103 V HN 0.615 nan 8.190 nan 0.000 0.467 104 G N -0.095 108.854 108.800 0.249 0.000 2.448 104 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 104 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 104 G C 1.699 176.711 174.900 0.186 0.000 1.135 104 G CA 0.746 45.975 45.100 0.215 0.000 0.784 104 G HN 0.459 nan 8.290 nan 0.000 0.543 105 R N -0.035 120.556 120.500 0.153 0.000 2.066 105 R HA 0.115 4.455 4.340 -0.001 0.000 0.224 105 R C 2.732 179.117 176.300 0.143 0.000 1.122 105 R CA 1.267 57.423 56.100 0.093 0.000 0.974 105 R CB -0.665 29.602 30.300 -0.055 0.000 0.871 105 R HN 0.205 nan 8.270 nan 0.000 0.435 106 G N 0.570 109.463 108.800 0.156 0.000 2.442 106 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.219 106 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.219 106 G C 0.793 175.682 174.900 -0.017 0.000 1.141 106 G CA 1.193 46.249 45.100 -0.072 0.000 0.763 106 G HN 0.348 nan 8.290 nan 0.000 0.554 107 D N 0.264 120.845 120.400 0.302 0.000 2.218 107 D HA -0.043 4.596 4.640 -0.001 0.000 0.204 107 D C 2.489 178.994 176.300 0.342 0.000 0.976 107 D CA 0.296 54.550 54.000 0.424 0.000 0.853 107 D CB -0.155 40.925 40.800 0.468 0.000 0.939 107 D HN 0.318 nan 8.370 nan 0.000 0.481 108 L N -0.316 121.037 121.223 0.217 0.000 2.456 108 L HA 0.011 4.350 4.340 -0.001 0.000 0.224 108 L C 2.319 179.210 176.870 0.035 0.000 1.148 108 L CA 0.749 55.673 54.840 0.140 0.000 0.825 108 L CB -0.508 41.620 42.059 0.115 0.000 0.937 108 L HN 0.080 nan 8.230 nan 0.000 0.450 109 G N -0.527 108.262 108.800 -0.019 0.000 2.509 109 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.218 109 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.218 109 G C 1.358 176.199 174.900 -0.099 0.000 1.124 109 G CA 0.041 45.043 45.100 -0.162 0.000 0.776 109 G HN 0.273 nan 8.290 nan 0.000 0.547 110 F N -0.039 119.920 119.950 0.014 0.000 2.333 110 F HA -0.045 4.482 4.527 -0.001 0.000 0.300 110 F C 2.515 178.311 175.800 -0.007 0.000 1.083 110 F CA 0.360 58.373 58.000 0.022 0.000 1.395 110 F CB 0.146 39.170 39.000 0.041 0.000 1.056 110 F HN 0.080 nan 8.300 nan 0.000 0.529 111 V N -0.067 119.926 119.914 0.133 0.000 3.241 111 V HA -0.146 3.974 4.120 -0.001 0.000 0.269 111 V C 1.175 177.279 176.094 0.017 0.000 1.151 111 V CA 1.499 63.831 62.300 0.053 0.000 1.158 111 V CB -0.374 31.445 31.823 -0.007 0.000 0.764 111 V HN 0.194 nan 8.190 nan 0.000 0.508 112 E N -0.795 119.410 120.200 0.008 0.000 2.624 112 E HA 0.186 4.535 4.350 -0.001 0.000 0.210 112 E C 1.664 178.300 176.600 0.060 0.000 0.997 112 E CA -0.226 56.175 56.400 0.000 0.000 0.999 112 E CB 0.519 30.176 29.700 -0.071 0.000 1.040 112 E HN 0.482 nan 8.360 nan 0.000 0.469 113 L N 0.822 122.102 121.223 0.094 0.000 2.051 113 L HA -0.283 4.057 4.340 -0.001 0.000 0.214 113 L C 2.176 179.098 176.870 0.086 0.000 1.076 113 L CA 1.651 56.562 54.840 0.118 0.000 0.758 113 L CB -0.232 41.937 42.059 0.183 0.000 0.890 113 L HN 0.153 nan 8.230 nan 0.000 0.433 114 A N -0.998 121.867 122.820 0.076 0.000 1.903 114 A HA -0.342 3.978 4.320 -0.001 0.000 0.219 114 A C 2.226 179.846 177.584 0.060 0.000 1.191 114 A CA 2.094 54.165 52.037 0.057 0.000 0.638 114 A CB -1.147 17.883 19.000 0.050 0.000 0.823 114 A HN 0.681 nan 8.150 nan 0.000 0.451 115 H N -0.349 118.721 119.070 -0.000 0.000 2.387 115 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 115 H C 2.221 177.551 175.328 0.003 0.000 1.099 115 H CA 1.783 57.829 56.048 -0.004 0.000 1.315 115 H CB 0.028 29.780 29.762 -0.018 0.000 1.380 115 H HN 0.454 nan 8.280 nan 0.000 0.513 116 S N 0.484 116.173 115.700 -0.018 0.000 2.355 116 S HA -0.081 4.388 4.470 -0.001 0.000 0.222 116 S C 2.216 176.773 174.600 -0.072 0.000 1.031 116 S CA 0.944 59.110 58.200 -0.058 0.000 0.993 116 S CB -0.040 63.171 63.200 0.020 0.000 0.859 116 S HN 0.334 nan 8.310 nan 0.000 0.453 117 I N 1.323 121.876 120.570 -0.027 0.000 2.493 117 I HA -0.045 4.125 4.170 -0.001 0.000 0.254 117 I C 2.325 178.416 176.117 -0.043 0.000 1.160 117 I CA 1.171 62.461 61.300 -0.016 0.000 1.445 117 I CB -0.999 37.006 38.000 0.009 0.000 1.086 117 I HN 0.232 nan 8.210 nan 0.000 0.433 118 R N 0.494 120.947 120.500 -0.079 0.000 2.080 118 R HA -0.088 4.252 4.340 -0.001 0.000 0.222 118 R C 2.215 178.442 176.300 -0.121 0.000 1.107 118 R CA 1.858 57.907 56.100 -0.086 0.000 0.980 118 R CB 0.096 30.349 30.300 -0.079 0.000 0.879 118 R HN 0.479 nan 8.270 nan 0.000 0.439 119 T N -4.926 109.494 114.554 -0.224 0.000 2.971 119 T HA 0.230 4.580 4.350 -0.001 0.000 0.252 119 T C 1.239 175.865 174.700 -0.123 0.000 1.022 119 T CA 0.566 62.545 62.100 -0.202 0.000 0.980 119 T CB 1.095 69.752 68.868 -0.351 0.000 1.044 119 T HN 0.351 nan 8.240 nan 0.000 0.501 120 G N 1.133 109.867 108.800 -0.110 0.000 2.179 120 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.260 120 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.260 120 G C -0.021 174.871 174.900 -0.013 0.000 0.977 120 G CA 0.089 45.167 45.100 -0.037 0.000 0.641 120 G HN 0.653 nan 8.290 nan 0.000 0.533 121 Q N 0.755 120.525 119.800 -0.050 0.000 2.221 121 Q HA 0.457 4.797 4.340 -0.001 0.000 0.242 121 Q C -2.164 173.886 176.000 0.083 0.000 0.940 121 Q CA -1.812 54.018 55.803 0.044 0.000 0.896 121 Q CB 1.417 30.222 28.738 0.111 0.000 1.226 121 Q HN 0.319 nan 8.270 nan 0.000 0.463 122 P HA 0.018 nan 4.420 nan 0.000 0.269 122 P C -0.560 176.807 177.300 0.112 0.000 1.209 122 P CA 0.257 63.396 63.100 0.065 0.000 0.776 122 P CB 0.757 32.475 31.700 0.030 0.000 0.876 123 A N 2.556 125.402 122.820 0.042 0.000 1.984 123 A HA -0.126 4.194 4.320 -0.001 0.000 0.214 123 A C 2.092 179.644 177.584 -0.053 0.000 1.173 123 A CA 0.505 52.555 52.037 0.021 0.000 0.673 123 A CB -1.539 17.445 19.000 -0.027 0.000 0.830 123 A HN 0.576 nan 8.150 nan 0.000 0.453 124 Y N 1.753 121.927 120.300 -0.210 0.000 2.102 124 Y HA -0.202 4.348 4.550 -0.000 0.000 0.280 124 Y C -0.827 175.017 175.900 -0.093 0.000 1.178 124 Y CA 2.835 60.818 58.100 -0.195 0.000 1.146 124 Y CB -1.082 37.178 38.460 -0.333 0.000 0.968 124 Y HN 0.295 nan 8.280 nan 0.000 0.504 125 P HA -0.168 nan 4.420 nan 0.000 0.217 125 P C 1.885 179.122 177.300 -0.105 0.000 1.150 125 P CA 1.909 65.042 63.100 0.055 0.000 0.832 125 P CB -0.043 31.698 31.700 0.069 0.000 0.787 126 V N 0.273 120.081 119.914 -0.177 0.000 2.392 126 V HA -0.246 3.873 4.120 -0.001 0.000 0.249 126 V C 2.674 178.597 176.094 -0.285 0.000 1.059 126 V CA 2.145 64.289 62.300 -0.259 0.000 1.051 126 V CB -1.016 30.608 31.823 -0.331 0.000 0.658 126 V HN 0.119 nan 8.190 nan 0.000 0.455 127 R N -0.783 119.480 120.500 -0.395 0.000 2.066 127 R HA -0.064 4.276 4.340 -0.001 0.000 0.224 127 R C 2.000 177.870 176.300 -0.717 0.000 1.122 127 R CA 1.437 57.165 56.100 -0.620 0.000 0.974 127 R CB -0.215 29.546 30.300 -0.898 0.000 0.871 127 R HN 0.523 nan 8.270 nan 0.000 0.435 128 Y N -0.456 119.615 120.300 -0.381 0.000 2.458 128 Y HA 0.348 4.898 4.550 -0.001 0.000 0.256 128 Y C 1.194 176.990 175.900 -0.172 0.000 1.159 128 Y CA 0.113 58.018 58.100 -0.326 0.000 1.261 128 Y CB 1.201 39.338 38.460 -0.538 0.000 1.119 128 Y HN 0.428 nan 8.280 nan 0.000 0.524 129 G N 1.035 109.810 108.800 -0.042 0.000 2.179 129 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.257 129 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.257 129 G C 0.192 175.115 174.900 0.038 0.000 1.010 129 G CA 0.854 45.947 45.100 -0.012 0.000 0.736 129 G HN 0.480 nan 8.290 nan 0.000 0.513 130 T N -1.539 113.071 114.554 0.093 0.000 2.770 130 T HA 0.615 4.964 4.350 -0.001 0.000 0.323 130 T C 0.371 175.195 174.700 0.207 0.000 1.683 130 T CA 0.952 63.124 62.100 0.121 0.000 1.024 130 T CB 0.758 69.683 68.868 0.095 0.000 1.557 130 T HN 1.613 nan 8.240 nan 0.000 0.494 131 S N 1.678 117.471 115.700 0.155 0.000 2.600 131 S HA 0.372 4.842 4.470 -0.001 0.000 0.265 131 S C 1.134 175.740 174.600 0.009 0.000 1.325 131 S CA -0.413 57.862 58.200 0.124 0.000 1.002 131 S CB 0.262 63.544 63.200 0.137 0.000 0.921 131 S HN 0.651 nan 8.310 nan 0.000 0.554 132 F N 0.592 120.214 119.950 -0.548 0.000 2.075 132 F HA 0.037 4.564 4.527 -0.001 0.000 0.297 132 F C 1.801 177.301 175.800 -0.499 0.000 1.113 132 F CA 1.121 58.507 58.000 -1.022 0.000 1.218 132 F CB -0.592 37.513 39.000 -1.491 0.000 0.984 132 F HN 0.739 nan 8.300 nan 0.000 0.472 133 W N 0.504 121.770 121.300 -0.057 0.000 2.363 133 W HA -0.121 4.539 4.660 -0.001 0.000 0.296 133 W C 2.423 178.878 176.519 -0.107 0.000 1.212 133 W CA 0.875 58.165 57.345 -0.092 0.000 1.260 133 W CB -0.487 29.032 29.460 0.098 0.000 1.131 133 W HN 0.042 nan 8.180 nan 0.000 0.530 134 E N 0.236 120.531 120.200 0.158 0.000 2.072 134 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 134 E C 1.681 178.284 176.600 0.005 0.000 0.985 134 E CA 1.469 57.924 56.400 0.092 0.000 0.801 134 E CB -0.200 29.559 29.700 0.098 0.000 0.750 134 E HN 0.064 nan 8.360 nan 0.000 0.452 135 D N 0.179 120.541 120.400 -0.063 0.000 2.117 135 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 135 D C 1.854 178.047 176.300 -0.178 0.000 0.987 135 D CA 0.851 54.782 54.000 -0.115 0.000 0.829 135 D CB 0.047 40.773 40.800 -0.123 0.000 0.961 135 D HN 0.124 nan 8.370 nan 0.000 0.460 136 L N -0.350 120.713 121.223 -0.267 0.000 2.072 136 L HA 0.024 4.364 4.340 -0.001 0.000 0.205 136 L C 2.527 179.355 176.870 -0.069 0.000 1.079 136 L CA 1.165 55.879 54.840 -0.209 0.000 0.752 136 L CB -0.873 41.038 42.059 -0.248 0.000 0.906 136 L HN 0.099 nan 8.230 nan 0.000 0.436 137 G N -0.271 108.518 108.800 -0.018 0.000 2.501 137 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.220 137 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.220 137 G C 1.499 176.394 174.900 -0.009 0.000 1.114 137 G CA 1.145 46.248 45.100 0.005 0.000 0.757 137 G HN 0.527 nan 8.290 nan 0.000 0.559 138 S N -1.803 113.884 115.700 -0.022 0.000 2.603 138 S HA 0.210 4.679 4.470 -0.001 0.000 0.232 138 S C 0.021 174.603 174.600 -0.030 0.000 1.016 138 S CA -0.132 58.056 58.200 -0.020 0.000 0.976 138 S CB 0.678 63.870 63.200 -0.013 0.000 0.921 138 S HN 0.083 nan 8.310 nan 0.000 0.516 139 D N 1.639 122.013 120.400 -0.043 0.000 2.363 139 D HA 0.389 5.029 4.640 -0.001 0.000 0.258 139 D C -2.388 173.888 176.300 -0.039 0.000 1.259 139 D CA -1.966 52.007 54.000 -0.045 0.000 0.921 139 D CB 1.906 42.665 40.800 -0.067 0.000 1.201 139 D HN -0.072 nan 8.370 nan 0.000 0.524 140 P HA -0.164 nan 4.420 nan 0.000 0.216 140 P C 1.668 178.960 177.300 -0.013 0.000 1.150 140 P CA 0.649 63.740 63.100 -0.015 0.000 0.843 140 P CB 0.567 32.259 31.700 -0.013 0.000 0.787 141 V N -0.398 119.505 119.914 -0.018 0.000 2.295 141 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 141 V C 2.430 178.515 176.094 -0.015 0.000 1.049 141 V CA 1.535 63.826 62.300 -0.016 0.000 1.024 141 V CB -1.208 30.604 31.823 -0.019 0.000 0.648 141 V HN 0.121 nan 8.190 nan 0.000 0.447 142 L N -0.132 121.073 121.223 -0.031 0.000 2.012 142 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 142 L C 2.685 179.550 176.870 -0.008 0.000 1.073 142 L CA 2.264 57.079 54.840 -0.042 0.000 0.748 142 L CB -0.409 41.592 42.059 -0.097 0.000 0.891 142 L HN 0.469 nan 8.230 nan 0.000 0.431 143 S N -0.805 114.891 115.700 -0.008 0.000 2.382 143 S HA -0.156 4.313 4.470 -0.001 0.000 0.228 143 S C 2.010 176.675 174.600 0.107 0.000 1.027 143 S CA 1.187 59.421 58.200 0.057 0.000 0.991 143 S CB -0.050 63.169 63.200 0.032 0.000 0.823 143 S HN 0.565 nan 8.310 nan 0.000 0.469 144 A N 1.228 124.076 122.820 0.047 0.000 1.898 144 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 144 A C 2.428 180.026 177.584 0.023 0.000 1.181 144 A CA 2.102 54.155 52.037 0.027 0.000 0.620 144 A CB -1.265 17.735 19.000 -0.000 0.000 0.819 144 A HN 0.784 nan 8.150 nan 0.000 0.442 145 S N -1.033 114.683 115.700 0.026 0.000 2.370 145 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 145 S C 1.850 176.460 174.600 0.017 0.000 1.033 145 S CA 1.576 59.776 58.200 0.000 0.000 1.011 145 S CB -0.747 62.454 63.200 0.001 0.000 0.852 145 S HN 0.516 nan 8.310 nan 0.000 0.457 146 F N 3.281 123.213 119.950 -0.030 0.000 2.134 146 F HA -0.048 4.478 4.527 -0.001 0.000 0.299 146 F C 1.837 177.654 175.800 0.029 0.000 1.097 146 F CA 1.757 59.771 58.000 0.024 0.000 1.264 146 F CB -0.610 38.465 39.000 0.124 0.000 1.001 146 F HN 0.151 nan 8.300 nan 0.000 0.479 147 D N -0.546 119.845 120.400 -0.016 0.000 2.117 147 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 147 D C 2.268 178.478 176.300 -0.149 0.000 0.987 147 D CA 2.022 55.964 54.000 -0.096 0.000 0.829 147 D CB -0.771 40.022 40.800 -0.012 0.000 0.961 147 D HN 0.278 nan 8.370 nan 0.000 0.460 148 T N 1.378 115.858 114.554 -0.122 0.000 2.788 148 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 148 T C 1.920 176.532 174.700 -0.147 0.000 1.044 148 T CA 0.425 62.456 62.100 -0.114 0.000 1.139 148 T CB -0.160 68.646 68.868 -0.103 0.000 0.867 148 T HN -0.009 nan 8.240 nan 0.000 0.454 149 L N 0.861 121.909 121.223 -0.293 0.000 1.994 149 L HA 0.044 4.383 4.340 -0.001 0.000 0.208 149 L C 2.401 179.140 176.870 -0.219 0.000 1.071 149 L CA 1.647 56.190 54.840 -0.495 0.000 0.745 149 L CB -0.904 40.644 42.059 -0.853 0.000 0.892 149 L HN 0.240 nan 8.230 nan 0.000 0.431 150 M N -1.624 117.788 119.600 -0.312 0.000 2.213 150 M HA -0.135 4.345 4.480 -0.001 0.000 0.263 150 M C 2.514 178.885 176.300 0.119 0.000 1.062 150 M CA 1.267 56.541 55.300 -0.044 0.000 1.105 150 M CB -1.504 30.960 32.600 -0.226 0.000 1.385 150 M HN 0.310 nan 8.290 nan 0.000 0.417 151 S N -0.575 115.120 115.700 -0.007 0.000 2.368 151 S HA -0.190 4.280 4.470 -0.001 0.000 0.224 151 S C 2.007 176.648 174.600 0.069 0.000 1.029 151 S CA 1.280 59.471 58.200 -0.015 0.000 0.988 151 S CB -0.410 62.766 63.200 -0.040 0.000 0.838 151 S HN 0.627 nan 8.310 nan 0.000 0.462 152 H N -0.473 118.623 119.070 0.044 0.000 2.387 152 H HA -0.182 4.374 4.556 -0.001 0.000 0.299 152 H C 2.152 177.592 175.328 0.187 0.000 1.090 152 H CA 1.825 57.953 56.048 0.133 0.000 1.332 152 H CB -0.312 29.601 29.762 0.251 0.000 1.386 152 H HN 0.799 nan 8.280 nan 0.000 0.516 153 H N 0.145 119.311 119.070 0.159 0.000 2.489 153 H HA -0.084 4.472 4.556 -0.001 0.000 0.295 153 H C 2.091 177.411 175.328 -0.014 0.000 1.082 153 H CA 1.464 57.539 56.048 0.044 0.000 1.295 153 H CB -0.404 29.475 29.762 0.194 0.000 1.380 153 H HN 0.340 nan 8.280 nan 0.000 0.548 154 L N 0.275 121.179 121.223 -0.531 0.000 2.072 154 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 154 L C 2.472 179.230 176.870 -0.187 0.000 1.079 154 L CA 1.539 56.013 54.840 -0.610 0.000 0.752 154 L CB -0.337 41.398 42.059 -0.540 0.000 0.906 154 L HN 0.446 nan 8.230 nan 0.000 0.436 155 E N -0.060 120.093 120.200 -0.078 0.000 2.072 155 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 155 E C 2.166 178.751 176.600 -0.024 0.000 0.985 155 E CA 0.885 57.288 56.400 0.005 0.000 0.801 155 E CB -0.096 29.660 29.700 0.094 0.000 0.750 155 E HN 0.236 nan 8.360 nan 0.000 0.452 156 L N 1.464 122.624 121.223 -0.105 0.000 2.027 156 L HA -0.151 4.189 4.340 -0.001 0.000 0.206 156 L C 1.654 178.270 176.870 -0.423 0.000 1.074 156 L CA 1.788 56.470 54.840 -0.263 0.000 0.745 156 L CB -0.322 41.503 42.059 -0.389 0.000 0.898 156 L HN 0.054 nan 8.230 nan 0.000 0.433 157 D N -3.042 117.214 120.400 -0.241 0.000 2.392 157 D HA 0.004 4.644 4.640 -0.001 0.000 0.206 157 D C 0.774 177.126 176.300 0.086 0.000 1.046 157 D CA 0.456 54.365 54.000 -0.152 0.000 0.865 157 D CB 0.368 41.190 40.800 0.037 0.000 0.969 157 D HN 0.276 nan 8.370 nan 0.000 0.509 158 Y N 1.148 121.390 120.300 -0.097 0.000 2.681 158 Y HA 0.143 4.693 4.550 -0.001 0.000 0.267 158 Y C 0.376 176.275 175.900 -0.001 0.000 1.166 158 Y CA -0.918 57.166 58.100 -0.026 0.000 1.209 158 Y CB -0.378 38.035 38.460 -0.078 0.000 1.161 158 Y HN -0.242 nan 8.280 nan 0.000 0.534 159 T N -1.151 113.487 114.554 0.140 0.000 2.831 159 T HA 0.317 4.667 4.350 -0.001 0.000 0.291 159 T C 1.425 176.189 174.700 0.106 0.000 0.981 159 T CA 0.634 62.795 62.100 0.101 0.000 1.174 159 T CB 0.496 69.415 68.868 0.084 0.000 0.929 159 T HN 0.747 nan 8.240 nan 0.000 0.532 160 G N 2.875 111.733 108.800 0.097 0.000 2.160 160 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.251 160 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.251 160 G C 0.527 175.516 174.900 0.148 0.000 1.008 160 G CA 0.188 45.351 45.100 0.104 0.000 0.724 160 G HN 0.929 nan 8.290 nan 0.000 0.514 161 I N -0.299 120.375 120.570 0.172 0.000 2.756 161 I HA 0.107 4.276 4.170 -0.001 0.000 0.262 161 I C 2.589 178.930 176.117 0.374 0.000 1.225 161 I CA 1.716 63.163 61.300 0.245 0.000 1.472 161 I CB -0.137 38.024 38.000 0.268 0.000 1.094 161 I HN 0.376 nan 8.210 nan 0.000 0.454 162 A N 0.787 123.761 122.820 0.257 0.000 1.902 162 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 162 A C 2.409 180.317 177.584 0.540 0.000 1.181 162 A CA 1.757 53.993 52.037 0.332 0.000 0.623 162 A CB -0.804 18.296 19.000 0.167 0.000 0.818 162 A HN 0.549 nan 8.150 nan 0.000 0.443 163 A N -0.546 122.469 122.820 0.325 0.000 2.030 163 A HA 0.056 4.376 4.320 -0.001 0.000 0.215 163 A C 1.774 179.495 177.584 0.228 0.000 1.164 163 A CA 0.855 53.048 52.037 0.259 0.000 0.697 163 A CB -0.201 18.887 19.000 0.147 0.000 0.827 163 A HN 0.422 nan 8.150 nan 0.000 0.457 164 K N -1.441 119.101 120.400 0.237 0.000 2.574 164 K HA 0.005 4.324 4.320 -0.001 0.000 0.193 164 K C -0.552 176.141 176.600 0.155 0.000 1.035 164 K CA 0.471 56.866 56.287 0.180 0.000 0.982 164 K CB -0.329 32.272 32.500 0.168 0.000 0.795 164 K HN 0.592 nan 8.250 nan 0.000 0.491 165 Y N -0.482 119.806 120.300 -0.021 0.000 2.641 165 Y HA 0.103 4.653 4.550 -0.001 0.000 0.333 165 Y C -1.674 174.046 175.900 -0.300 0.000 1.174 165 Y CA -1.827 56.083 58.100 -0.317 0.000 1.057 165 Y CB 1.609 39.663 38.460 -0.677 0.000 1.322 165 Y HN -0.146 nan 8.280 nan 0.000 0.457 166 D N 3.348 123.193 120.400 -0.924 0.000 2.558 166 D HA 0.136 4.776 4.640 -0.001 0.000 0.221 166 D C -0.079 176.003 176.300 -0.363 0.000 1.143 166 D CA 0.063 53.758 54.000 -0.507 0.000 1.010 166 D CB -0.120 40.391 40.800 -0.482 0.000 1.068 166 D HN 0.561 nan 8.370 nan 0.000 0.511 167 W N 2.611 123.862 121.300 -0.081 0.000 2.378 167 W HA -0.050 4.610 4.660 -0.001 0.000 0.313 167 W C 2.508 178.870 176.519 -0.263 0.000 1.197 167 W CA 0.844 58.097 57.345 -0.154 0.000 1.304 167 W CB -0.546 28.679 29.460 -0.392 0.000 1.148 167 W HN 0.425 nan 8.180 nan 0.000 0.494 168 A N 0.889 123.575 122.820 -0.222 0.000 1.971 168 A HA -0.267 4.052 4.320 -0.001 0.000 0.222 168 A C 2.048 179.645 177.584 0.022 0.000 1.182 168 A CA 2.798 54.821 52.037 -0.024 0.000 0.649 168 A CB -1.364 17.730 19.000 0.155 0.000 0.818 168 A HN 0.277 nan 8.150 nan 0.000 0.458 169 A N -0.631 122.183 122.820 -0.009 0.000 2.019 169 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 169 A C 2.090 179.683 177.584 0.015 0.000 1.164 169 A CA 1.395 53.426 52.037 -0.011 0.000 0.644 169 A CB -0.520 18.442 19.000 -0.063 0.000 0.805 169 A HN 0.522 nan 8.150 nan 0.000 0.449 170 L N -1.800 119.447 121.223 0.041 0.000 2.093 170 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 170 L C 2.367 179.276 176.870 0.065 0.000 1.085 170 L CA 0.982 55.860 54.840 0.063 0.000 0.755 170 L CB -0.633 41.487 42.059 0.101 0.000 0.904 170 L HN 0.603 nan 8.230 nan 0.000 0.435 171 G N -0.868 107.972 108.800 0.068 0.000 3.909 171 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.218 171 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.218 171 G C 0.197 175.170 174.900 0.121 0.000 1.404 171 G CA 0.506 45.653 45.100 0.079 0.000 0.905 171 G HN 0.477 nan 8.290 nan 0.000 0.589 172 H N -0.005 119.057 119.070 -0.014 0.000 2.840 172 H HA 0.622 5.178 4.556 -0.001 0.000 0.340 172 H C -0.643 174.633 175.328 -0.086 0.000 1.004 172 H CA -0.015 56.003 56.048 -0.050 0.000 1.288 172 H CB 1.829 31.557 29.762 -0.056 0.000 1.607 172 H HN 0.521 nan 8.280 nan 0.000 0.522 173 V N 5.216 124.830 119.914 -0.500 0.000 2.459 173 V HA 0.392 4.511 4.120 -0.001 0.000 0.295 173 V C -0.221 175.533 176.094 -0.566 0.000 1.029 173 V CA -0.975 61.084 62.300 -0.403 0.000 0.874 173 V CB 1.533 33.261 31.823 -0.158 0.000 0.985 173 V HN 0.540 nan 8.190 nan 0.000 0.438 174 V N 3.163 122.738 119.914 -0.564 0.000 2.350 174 V HA 0.316 4.435 4.120 -0.001 0.000 0.276 174 V C -0.165 175.810 176.094 -0.198 0.000 1.028 174 V CA -0.207 61.843 62.300 -0.417 0.000 0.860 174 V CB 1.510 33.011 31.823 -0.536 0.000 0.990 174 V HN 0.929 nan 8.190 nan 0.000 0.453 175 D N 4.642 124.983 120.400 -0.098 0.000 2.468 175 D HA 0.199 4.839 4.640 -0.001 0.000 0.218 175 D C -0.140 176.186 176.300 0.043 0.000 1.155 175 D CA -0.123 53.865 54.000 -0.020 0.000 0.924 175 D CB 1.211 41.998 40.800 -0.022 0.000 1.029 175 D HN 0.273 nan 8.370 nan 0.000 0.515 176 V N 3.386 123.350 119.914 0.084 0.000 2.446 176 V HA 0.353 4.472 4.120 -0.001 0.000 0.276 176 V C 1.593 177.794 176.094 0.177 0.000 1.030 176 V CA 0.427 62.812 62.300 0.142 0.000 1.033 176 V CB 0.597 32.496 31.823 0.128 0.000 0.993 176 V HN 0.835 nan 8.190 nan 0.000 0.477 177 G N 4.347 113.277 108.800 0.217 0.000 2.182 177 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.248 177 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.248 177 G C 0.842 175.811 174.900 0.115 0.000 1.042 177 G CA 0.093 45.322 45.100 0.214 0.000 0.775 177 G HN 1.326 nan 8.290 nan 0.000 0.501 178 G N -0.174 108.670 108.800 0.073 0.000 2.807 178 G HA2 0.469 4.428 3.960 -0.001 0.000 0.207 178 G HA3 0.469 4.428 3.960 -0.001 0.000 0.207 178 G C 1.758 176.674 174.900 0.026 0.000 1.151 178 G CA 1.388 46.515 45.100 0.045 0.000 0.800 178 G HN 2.070 nan 8.290 nan 0.000 0.523 179 G N 0.258 109.077 108.800 0.032 0.000 2.594 179 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.297 179 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.297 179 G C 1.342 176.223 174.900 -0.031 0.000 1.273 179 G CA 1.163 46.274 45.100 0.018 0.000 0.974 179 G HN 1.334 nan 8.290 nan 0.000 0.552 180 S N 0.400 116.062 115.700 -0.063 0.000 2.851 180 S HA 0.411 4.880 4.470 -0.001 0.000 0.227 180 S C 1.982 176.452 174.600 -0.217 0.000 0.958 180 S CA 1.018 59.140 58.200 -0.131 0.000 0.990 180 S CB -0.143 62.987 63.200 -0.118 0.000 0.790 180 S HN 2.772 nan 8.310 nan 0.000 0.509 181 G N 0.387 109.104 108.800 -0.138 0.000 2.148 181 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.254 181 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.254 181 G C 0.940 175.825 174.900 -0.024 0.000 0.981 181 G CA 0.156 45.209 45.100 -0.077 0.000 0.670 181 G HN 0.906 nan 8.290 nan 0.000 0.528 182 G N 0.179 108.930 108.800 -0.081 0.000 2.440 182 G HA2 0.018 3.977 3.960 -0.001 0.000 0.218 182 G HA3 0.018 3.977 3.960 -0.001 0.000 0.218 182 G C 1.711 176.555 174.900 -0.093 0.000 1.154 182 G CA 1.700 46.750 45.100 -0.083 0.000 0.767 182 G HN 1.030 nan 8.290 nan 0.000 0.552 183 L N -0.067 121.078 121.223 -0.130 0.000 2.044 183 L HA 0.179 4.519 4.340 -0.001 0.000 0.205 183 L C 2.534 179.305 176.870 -0.166 0.000 1.075 183 L CA 1.443 56.173 54.840 -0.183 0.000 0.747 183 L CB -0.657 41.269 42.059 -0.221 0.000 0.903 183 L HN 0.171 nan 8.230 nan 0.000 0.435 184 L N -0.793 120.375 121.223 -0.093 0.000 2.042 184 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 184 L C 2.743 179.574 176.870 -0.065 0.000 1.076 184 L CA 2.176 56.956 54.840 -0.100 0.000 0.749 184 L CB -1.041 41.028 42.059 0.017 0.000 0.893 184 L HN 0.514 nan 8.230 nan 0.000 0.432 185 S N -0.893 114.859 115.700 0.088 0.000 2.365 185 S HA -0.243 4.227 4.470 -0.001 0.000 0.225 185 S C 2.158 176.747 174.600 -0.019 0.000 1.039 185 S CA 1.494 59.753 58.200 0.099 0.000 1.033 185 S CB -0.534 62.765 63.200 0.164 0.000 0.887 185 S HN 0.658 nan 8.310 nan 0.000 0.447 186 A N 1.166 123.950 122.820 -0.060 0.000 1.877 186 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 186 A C 2.132 179.648 177.584 -0.113 0.000 1.186 186 A CA 1.562 53.550 52.037 -0.082 0.000 0.620 186 A CB -0.854 18.088 19.000 -0.098 0.000 0.822 186 A HN 0.518 nan 8.150 nan 0.000 0.443 187 L N -0.270 120.823 121.223 -0.215 0.000 2.017 187 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 187 L C 2.506 179.336 176.870 -0.066 0.000 1.073 187 L CA 1.523 56.196 54.840 -0.279 0.000 0.745 187 L CB -0.878 40.825 42.059 -0.594 0.000 0.894 187 L HN 0.379 nan 8.230 nan 0.000 0.432 188 L N -1.728 119.439 121.223 -0.093 0.000 2.141 188 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 188 L C 2.263 179.123 176.870 -0.018 0.000 1.094 188 L CA 1.189 56.001 54.840 -0.046 0.000 0.763 188 L CB -0.925 41.068 42.059 -0.110 0.000 0.908 188 L HN 0.252 nan 8.230 nan 0.000 0.437 189 T N -0.052 114.484 114.554 -0.030 0.000 2.867 189 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 189 T C 1.847 176.522 174.700 -0.042 0.000 1.057 189 T CA 1.248 63.331 62.100 -0.028 0.000 1.136 189 T CB -0.014 68.839 68.868 -0.025 0.000 0.874 189 T HN 0.435 nan 8.240 nan 0.000 0.466 190 A N 0.288 123.078 122.820 -0.049 0.000 2.132 190 A HA 0.089 4.409 4.320 -0.001 0.000 0.213 190 A C 0.641 178.006 177.584 -0.365 0.000 1.154 190 A CA 0.365 52.304 52.037 -0.163 0.000 0.753 190 A CB 0.043 18.959 19.000 -0.139 0.000 0.826 190 A HN 0.528 nan 8.150 nan 0.000 0.469 191 H N 0.043 119.113 119.070 0.001 0.000 2.716 191 H HA 0.198 4.754 4.556 -0.001 0.000 0.260 191 H C -0.231 175.100 175.328 0.005 0.000 1.280 191 H CA -0.304 55.758 56.048 0.025 0.000 1.506 191 H CB 0.557 30.356 29.762 0.063 0.000 1.514 191 H HN 0.546 nan 8.280 nan 0.000 0.502 192 E N 0.789 121.024 120.200 0.058 0.000 2.396 192 E HA -0.127 4.223 4.350 -0.001 0.000 0.200 192 E C 0.155 176.778 176.600 0.039 0.000 1.023 192 E CA 0.829 57.248 56.400 0.032 0.000 0.857 192 E CB 0.329 30.034 29.700 0.009 0.000 0.775 192 E HN 0.493 nan 8.360 nan 0.000 0.525 193 D N 0.227 120.667 120.400 0.066 0.000 2.431 193 D HA 0.070 4.710 4.640 -0.001 0.000 0.213 193 D C -0.062 176.273 176.300 0.058 0.000 1.130 193 D CA -0.127 53.904 54.000 0.052 0.000 0.834 193 D CB 0.443 41.275 40.800 0.052 0.000 0.985 193 D HN 0.055 nan 8.370 nan 0.000 0.504 194 L N 1.473 122.739 121.223 0.071 0.000 2.357 194 L HA 0.369 4.708 4.340 -0.001 0.000 0.273 194 L C -0.039 176.848 176.870 0.027 0.000 1.080 194 L CA -0.158 54.717 54.840 0.059 0.000 0.803 194 L CB 1.526 43.627 42.059 0.071 0.000 1.174 194 L HN -0.112 nan 8.230 nan 0.000 0.443 195 S N 2.143 117.874 115.700 0.051 0.000 2.599 195 S HA 1.023 5.493 4.470 -0.001 0.000 0.287 195 S C -0.499 174.093 174.600 -0.013 0.000 1.105 195 S CA -0.111 58.129 58.200 0.066 0.000 0.899 195 S CB 1.719 65.016 63.200 0.162 0.000 1.100 195 S HN 1.118 nan 8.310 nan 0.000 0.482 196 G N -0.267 108.445 108.800 -0.148 0.000 2.663 196 G HA2 0.722 4.681 3.960 -0.001 0.000 0.299 196 G HA3 0.722 4.681 3.960 -0.001 0.000 0.299 196 G C -1.163 173.585 174.900 -0.253 0.000 1.372 196 G CA -0.130 44.684 45.100 -0.477 0.000 0.781 196 G HN 1.410 nan 8.290 nan 0.000 0.491 197 T N -1.809 112.590 114.554 -0.257 0.000 2.993 197 T HA 0.537 4.887 4.350 -0.001 0.000 0.312 197 T C -1.180 173.515 174.700 -0.009 0.000 1.115 197 T CA -0.428 61.641 62.100 -0.052 0.000 1.027 197 T CB 1.582 70.487 68.868 0.062 0.000 1.116 197 T HN 0.782 nan 8.240 nan 0.000 0.464 198 V N 5.745 125.722 119.914 0.106 0.000 2.432 198 V HA 0.489 4.609 4.120 -0.001 0.000 0.275 198 V C -0.003 176.137 176.094 0.078 0.000 1.043 198 V CA -0.879 61.488 62.300 0.111 0.000 0.925 198 V CB 1.224 33.160 31.823 0.189 0.000 0.985 198 V HN 0.817 nan 8.190 nan 0.000 0.466 199 L N 5.902 127.158 121.223 0.054 0.000 2.298 199 L HA 0.699 5.039 4.340 -0.001 0.000 0.284 199 L C -0.866 176.005 176.870 0.002 0.000 1.013 199 L CA 0.511 55.373 54.840 0.036 0.000 0.824 199 L CB 1.051 43.147 42.059 0.062 0.000 1.221 199 L HN 0.779 nan 8.230 nan 0.000 0.418 200 D N 3.103 123.474 120.400 -0.048 0.000 2.838 200 D HA 0.367 5.006 4.640 -0.001 0.000 0.334 200 D C -0.765 175.448 176.300 -0.144 0.000 1.315 200 D CA -0.405 53.526 54.000 -0.115 0.000 0.917 200 D CB 1.803 42.565 40.800 -0.063 0.000 1.435 200 D HN 0.415 nan 8.370 nan 0.000 0.517 201 L N 1.440 122.559 121.223 -0.173 0.000 2.468 201 L HA 0.243 4.582 4.340 -0.001 0.000 0.254 201 L C 2.178 179.001 176.870 -0.080 0.000 1.171 201 L CA -0.370 54.386 54.840 -0.141 0.000 0.809 201 L CB 0.338 42.303 42.059 -0.157 0.000 1.155 201 L HN 0.454 nan 8.230 nan 0.000 0.473 202 Q N 1.151 120.913 119.800 -0.062 0.000 2.047 202 Q HA -0.257 4.083 4.340 -0.001 0.000 0.211 202 Q C 1.906 177.885 176.000 -0.034 0.000 1.005 202 Q CA 2.085 57.861 55.803 -0.045 0.000 0.866 202 Q CB -0.534 28.183 28.738 -0.036 0.000 0.938 202 Q HN 1.008 nan 8.270 nan 0.000 0.414 203 G N 1.397 110.182 108.800 -0.024 0.000 2.587 203 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 203 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 203 G C -1.034 173.861 174.900 -0.009 0.000 1.240 203 G CA 1.119 46.214 45.100 -0.008 0.000 0.794 203 G HN 0.314 nan 8.290 nan 0.000 0.580 204 P HA -0.024 nan 4.420 nan 0.000 0.216 204 P C 2.195 179.473 177.300 -0.037 0.000 1.150 204 P CA 2.007 65.101 63.100 -0.009 0.000 0.837 204 P CB -0.174 31.532 31.700 0.011 0.000 0.786 205 A N 0.233 123.033 122.820 -0.033 0.000 1.883 205 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 205 A C 2.412 179.985 177.584 -0.018 0.000 1.186 205 A CA 2.649 54.672 52.037 -0.024 0.000 0.624 205 A CB -1.725 17.259 19.000 -0.026 0.000 0.822 205 A HN 0.344 nan 8.150 nan 0.000 0.444 206 S N 0.235 115.922 115.700 -0.023 0.000 2.382 206 S HA 0.002 4.472 4.470 -0.001 0.000 0.228 206 S C 2.096 176.697 174.600 0.001 0.000 1.027 206 S CA 1.443 59.641 58.200 -0.005 0.000 0.991 206 S CB -0.753 62.437 63.200 -0.017 0.000 0.823 206 S HN 0.948 nan 8.310 nan 0.000 0.469 207 A N 2.239 125.033 122.820 -0.043 0.000 1.902 207 A HA 0.312 4.631 4.320 -0.001 0.000 0.217 207 A C 2.564 180.040 177.584 -0.180 0.000 1.181 207 A CA 1.746 53.733 52.037 -0.083 0.000 0.623 207 A CB -1.506 17.450 19.000 -0.073 0.000 0.818 207 A HN 0.868 nan 8.150 nan 0.000 0.443 208 A N -0.875 121.808 122.820 -0.227 0.000 1.908 208 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 208 A C 2.029 179.200 177.584 -0.689 0.000 1.181 208 A CA 2.199 53.916 52.037 -0.533 0.000 0.627 208 A CB -0.933 17.854 19.000 -0.354 0.000 0.818 208 A HN 0.749 nan 8.150 nan 0.000 0.445 209 H N -0.424 118.462 119.070 -0.306 0.000 2.319 209 H HA -0.114 4.442 4.556 -0.001 0.000 0.299 209 H C 2.258 177.522 175.328 -0.106 0.000 1.092 209 H CA 2.126 58.113 56.048 -0.102 0.000 1.302 209 H CB -0.161 29.592 29.762 -0.015 0.000 1.373 209 H HN 0.404 nan 8.280 nan 0.000 0.497 210 R N 0.493 120.944 120.500 -0.080 0.000 2.091 210 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 210 R C 2.562 178.768 176.300 -0.156 0.000 1.136 210 R CA 1.822 57.860 56.100 -0.104 0.000 0.959 210 R CB -0.252 30.015 30.300 -0.056 0.000 0.856 210 R HN 0.386 nan 8.270 nan 0.000 0.437 211 R N -0.407 119.950 120.500 -0.239 0.000 2.070 211 R HA -0.148 4.191 4.340 -0.001 0.000 0.233 211 R C 2.099 178.332 176.300 -0.111 0.000 1.137 211 R CA 1.837 57.802 56.100 -0.225 0.000 0.945 211 R CB -0.412 29.679 30.300 -0.349 0.000 0.845 211 R HN 0.136 nan 8.270 nan 0.000 0.430 212 F N 1.082 120.973 119.950 -0.098 0.000 2.134 212 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 212 F C 2.324 178.043 175.800 -0.135 0.000 1.097 212 F CA 0.553 58.489 58.000 -0.106 0.000 1.264 212 F CB -0.930 38.010 39.000 -0.101 0.000 1.001 212 F HN 0.083 nan 8.300 nan 0.000 0.479 213 L N 0.350 121.554 121.223 -0.032 0.000 1.989 213 L HA -0.245 4.094 4.340 -0.001 0.000 0.211 213 L C 1.900 178.744 176.870 -0.043 0.000 1.071 213 L CA 2.126 56.907 54.840 -0.098 0.000 0.749 213 L CB -1.266 40.669 42.059 -0.208 0.000 0.890 213 L HN 0.096 nan 8.230 nan 0.000 0.431 214 D N -1.759 118.615 120.400 -0.043 0.000 2.269 214 D HA -0.118 4.522 4.640 -0.001 0.000 0.208 214 D C 1.762 178.056 176.300 -0.010 0.000 0.963 214 D CA 0.842 54.825 54.000 -0.028 0.000 0.864 214 D CB 0.410 41.187 40.800 -0.038 0.000 0.936 214 D HN 0.175 nan 8.370 nan 0.000 0.505 215 T N -1.606 112.954 114.554 0.010 0.000 3.044 215 T HA 0.262 4.611 4.350 -0.001 0.000 0.250 215 T C 1.049 175.761 174.700 0.020 0.000 1.081 215 T CA 0.627 62.741 62.100 0.023 0.000 1.040 215 T CB 0.471 69.373 68.868 0.056 0.000 0.962 215 T HN 0.243 nan 8.240 nan 0.000 0.506 216 G N 1.457 110.266 108.800 0.016 0.000 2.212 216 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.255 216 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.255 216 G C 0.477 175.375 174.900 -0.003 0.000 1.062 216 G CA 0.067 45.168 45.100 0.003 0.000 0.815 216 G HN 0.542 nan 8.290 nan 0.000 0.497 217 L N 0.354 121.581 121.223 0.008 0.000 2.858 217 L HA 0.128 4.468 4.340 -0.001 0.000 0.251 217 L C 2.494 179.302 176.870 -0.103 0.000 1.149 217 L CA 0.832 55.642 54.840 -0.050 0.000 0.955 217 L CB 0.204 42.230 42.059 -0.054 0.000 1.289 217 L HN 0.367 nan 8.230 nan 0.000 0.542 218 S N -0.271 115.408 115.700 -0.035 0.000 2.440 218 S HA -0.136 4.333 4.470 -0.001 0.000 0.238 218 S C 1.974 176.547 174.600 -0.046 0.000 1.010 218 S CA 1.110 59.290 58.200 -0.033 0.000 0.972 218 S CB -0.645 62.545 63.200 -0.017 0.000 0.774 218 S HN 0.474 nan 8.310 nan 0.000 0.501 219 G N 1.451 110.222 108.800 -0.047 0.000 2.448 219 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.218 219 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.218 219 G C 1.624 176.492 174.900 -0.053 0.000 1.135 219 G CA 0.167 45.244 45.100 -0.038 0.000 0.784 219 G HN 0.558 nan 8.290 nan 0.000 0.543 220 R N -0.836 119.608 120.500 -0.093 0.000 2.453 220 R HA 0.458 4.797 4.340 -0.001 0.000 0.233 220 R C 0.403 176.600 176.300 -0.172 0.000 0.895 220 R CA 0.325 56.365 56.100 -0.099 0.000 1.028 220 R CB 0.976 31.223 30.300 -0.089 0.000 1.255 220 R HN 0.224 nan 8.270 nan 0.000 0.571 221 A N 1.849 124.480 122.820 -0.315 0.000 2.331 221 A HA 0.492 4.812 4.320 -0.001 0.000 0.320 221 A C -0.809 176.581 177.584 -0.323 0.000 1.138 221 A CA -0.630 51.061 52.037 -0.576 0.000 0.790 221 A CB 0.868 18.950 19.000 -1.531 0.000 1.206 221 A HN 0.163 nan 8.150 nan 0.000 0.470 222 Q N 0.666 120.395 119.800 -0.119 0.000 2.484 222 Q HA 0.810 5.149 4.340 -0.001 0.000 0.285 222 Q C -0.756 175.363 176.000 0.199 0.000 1.097 222 Q CA -1.013 54.851 55.803 0.102 0.000 0.802 222 Q CB 2.034 30.822 28.738 0.084 0.000 1.444 222 Q HN 1.063 nan 8.270 nan 0.000 0.429 223 V N -1.560 118.498 119.914 0.240 0.000 3.046 223 V HA 0.915 5.034 4.120 -0.001 0.000 0.316 223 V C -0.974 175.176 176.094 0.092 0.000 1.104 223 V CA -0.725 61.689 62.300 0.190 0.000 1.006 223 V CB 2.027 33.971 31.823 0.202 0.000 1.058 223 V HN 0.680 nan 8.190 nan 0.000 0.440 224 V N 2.709 122.659 119.914 0.059 0.000 2.668 224 V HA 0.404 4.523 4.120 -0.001 0.000 0.304 224 V C -0.379 175.715 176.094 0.000 0.000 1.071 224 V CA -0.499 61.817 62.300 0.027 0.000 0.894 224 V CB 1.987 33.834 31.823 0.039 0.000 1.008 224 V HN 0.860 nan 8.190 nan 0.000 0.425 225 V N 4.449 124.351 119.914 -0.020 0.000 2.408 225 V HA 0.870 4.990 4.120 -0.001 0.000 0.267 225 V C 0.786 176.854 176.094 -0.044 0.000 1.047 225 V CA 0.734 63.009 62.300 -0.040 0.000 0.937 225 V CB 0.728 32.524 31.823 -0.046 0.000 0.999 225 V HN 1.114 nan 8.190 nan 0.000 0.472 226 G N 3.058 111.817 108.800 -0.070 0.000 2.506 226 G HA2 0.485 4.445 3.960 -0.001 0.000 0.292 226 G HA3 0.485 4.445 3.960 -0.001 0.000 0.292 226 G C -1.302 173.509 174.900 -0.148 0.000 1.425 226 G CA -0.386 44.669 45.100 -0.074 0.000 0.788 226 G HN 0.614 nan 8.290 nan 0.000 0.490 227 S N -0.563 115.057 115.700 -0.134 0.000 2.462 227 S HA 0.516 4.986 4.470 -0.001 0.000 0.294 227 S C 0.927 175.416 174.600 -0.186 0.000 1.144 227 S CA -0.686 57.371 58.200 -0.240 0.000 1.088 227 S CB 0.266 63.429 63.200 -0.062 0.000 1.009 227 S HN 1.085 nan 8.310 nan 0.000 0.484 228 F N 3.309 123.098 119.950 -0.269 0.000 2.802 228 F HA 0.309 4.836 4.527 -0.001 0.000 0.302 228 F C 0.499 176.033 175.800 -0.444 0.000 1.211 228 F CA -0.591 57.204 58.000 -0.342 0.000 1.431 228 F CB -1.470 37.291 39.000 -0.398 0.000 1.114 228 F HN 0.514 nan 8.300 nan 0.000 0.567 229 F N 0.157 120.203 119.950 0.159 0.000 2.746 229 F HA 0.162 4.688 4.527 -0.001 0.000 0.297 229 F C 0.920 176.720 175.800 0.000 0.000 1.113 229 F CA -0.279 57.746 58.000 0.041 0.000 1.367 229 F CB 0.063 39.049 39.000 -0.022 0.000 1.111 229 F HN -0.108 nan 8.300 nan 0.000 0.590 230 D N -0.196 120.289 120.400 0.140 0.000 2.442 230 D HA 0.267 4.906 4.640 -0.001 0.000 0.254 230 D C -2.368 173.958 176.300 0.044 0.000 1.069 230 D CA -1.687 52.359 54.000 0.076 0.000 1.017 230 D CB 0.490 41.321 40.800 0.051 0.000 1.172 230 D HN -0.259 nan 8.370 nan 0.000 0.561 231 P HA 0.024 nan 4.420 nan 0.000 0.265 231 P C -0.551 176.766 177.300 0.028 0.000 1.187 231 P CA 0.042 63.152 63.100 0.017 0.000 0.766 231 P CB 0.496 32.205 31.700 0.015 0.000 0.820 232 L N 5.713 126.953 121.223 0.028 0.000 2.358 232 L HA 0.516 4.855 4.340 -0.001 0.000 0.268 232 L C -2.001 174.937 176.870 0.113 0.000 1.032 232 L CA -2.112 52.775 54.840 0.078 0.000 0.805 232 L CB -0.256 41.860 42.059 0.096 0.000 1.253 232 L HN 0.259 nan 8.230 nan 0.000 0.452 233 P HA 0.214 nan 4.420 nan 0.000 0.262 233 P C -0.938 176.510 177.300 0.246 0.000 1.199 233 P CA 0.024 63.221 63.100 0.163 0.000 0.763 233 P CB 0.509 32.304 31.700 0.160 0.000 0.790 234 A N 3.100 126.021 122.820 0.168 0.000 2.252 234 A HA 0.634 4.954 4.320 -0.001 0.000 0.305 234 A C 1.394 179.105 177.584 0.211 0.000 1.097 234 A CA 0.120 52.265 52.037 0.181 0.000 0.849 234 A CB -0.084 18.959 19.000 0.073 0.000 1.142 234 A HN 0.776 nan 8.150 nan 0.000 0.499 235 G N -1.654 107.279 108.800 0.221 0.000 2.179 235 G HA2 0.146 4.106 3.960 -0.001 0.000 0.260 235 G HA3 0.146 4.106 3.960 -0.001 0.000 0.260 235 G C 0.633 175.661 174.900 0.213 0.000 0.977 235 G CA 0.631 45.839 45.100 0.180 0.000 0.641 235 G HN 2.072 nan 8.290 nan 0.000 0.533 236 A N -0.150 122.852 122.820 0.304 0.000 2.346 236 A HA 0.702 5.022 4.320 -0.001 0.000 0.252 236 A C 1.835 179.500 177.584 0.134 0.000 1.089 236 A CA 1.024 53.147 52.037 0.142 0.000 0.797 236 A CB 0.226 19.102 19.000 -0.205 0.000 1.047 236 A HN 1.429 nan 8.150 nan 0.000 0.494 237 G N 0.092 108.935 108.800 0.072 0.000 2.421 237 G HA2 0.343 4.303 3.960 -0.001 0.000 0.216 237 G HA3 0.343 4.303 3.960 -0.001 0.000 0.216 237 G C 0.693 175.642 174.900 0.082 0.000 1.171 237 G CA 1.109 46.257 45.100 0.079 0.000 0.775 237 G HN 1.487 nan 8.290 nan 0.000 0.543 238 G N -1.878 106.908 108.800 -0.024 0.000 2.706 238 G HA2 0.526 4.485 3.960 -0.001 0.000 0.297 238 G HA3 0.526 4.485 3.960 -0.001 0.000 0.297 238 G C -2.066 172.712 174.900 -0.204 0.000 1.403 238 G CA -0.768 44.344 45.100 0.021 0.000 0.954 238 G HN 0.020 nan 8.290 nan 0.000 0.500 239 Y N 0.624 120.934 120.300 0.017 0.000 2.328 239 Y HA 0.512 5.062 4.550 -0.001 0.000 0.336 239 Y C 0.218 176.124 175.900 0.011 0.000 0.960 239 Y CA -0.807 57.297 58.100 0.008 0.000 1.134 239 Y CB 2.314 40.770 38.460 -0.007 0.000 1.166 239 Y HN 0.322 nan 8.280 nan 0.000 0.464 240 V N 5.534 125.509 119.914 0.101 0.000 2.472 240 V HA 0.370 4.489 4.120 -0.001 0.000 0.290 240 V C -0.209 175.928 176.094 0.073 0.000 1.037 240 V CA -0.801 61.558 62.300 0.099 0.000 0.908 240 V CB 1.623 33.515 31.823 0.115 0.000 0.985 240 V HN 0.601 nan 8.190 nan 0.000 0.454 241 L N 4.299 125.554 121.223 0.054 0.000 2.408 241 L HA 0.387 4.726 4.340 -0.001 0.000 0.257 241 L C 0.190 177.087 176.870 0.045 0.000 1.053 241 L CA 0.061 54.909 54.840 0.013 0.000 0.922 241 L CB 1.537 43.565 42.059 -0.051 0.000 1.261 241 L HN 0.666 nan 8.230 nan 0.000 0.458 242 S N 2.711 118.463 115.700 0.087 0.000 2.411 242 S HA 0.557 5.026 4.470 -0.001 0.000 0.294 242 S C 0.947 175.628 174.600 0.134 0.000 1.115 242 S CA 0.262 58.560 58.200 0.162 0.000 1.071 242 S CB 0.795 64.097 63.200 0.170 0.000 0.967 242 S HN 0.808 nan 8.310 nan 0.000 0.488 243 A N 3.469 126.334 122.820 0.075 0.000 2.745 243 A HA -0.119 4.200 4.320 -0.001 0.000 0.296 243 A C 0.764 178.234 177.584 -0.189 0.000 1.500 243 A CA 1.030 52.989 52.037 -0.131 0.000 0.766 243 A CB -2.222 16.857 19.000 0.132 0.000 1.030 243 A HN 1.072 nan 8.150 nan 0.000 0.489 244 V N -1.214 118.590 119.914 -0.183 0.000 3.359 244 V HA 0.061 4.180 4.120 -0.001 0.000 0.245 244 V C 2.175 178.297 176.094 0.048 0.000 1.247 244 V CA 1.114 63.404 62.300 -0.018 0.000 1.145 244 V CB -0.114 31.695 31.823 -0.024 0.000 0.906 244 V HN 0.617 nan 8.190 nan 0.000 0.464 245 L N 1.078 122.266 121.223 -0.059 0.000 2.072 245 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 245 L C 2.521 179.484 176.870 0.156 0.000 1.079 245 L CA 1.933 56.812 54.840 0.065 0.000 0.752 245 L CB -0.834 41.227 42.059 0.004 0.000 0.906 245 L HN 0.638 nan 8.230 nan 0.000 0.436 246 H N -1.814 117.318 119.070 0.102 0.000 2.567 246 H HA -0.058 4.498 4.556 -0.001 0.000 0.276 246 H C 0.412 175.742 175.328 0.003 0.000 1.016 246 H CA 0.415 56.507 56.048 0.072 0.000 1.186 246 H CB -0.152 29.649 29.762 0.066 0.000 1.351 246 H HN 0.362 nan 8.280 nan 0.000 0.605 247 D N 0.048 120.501 120.400 0.088 0.000 2.339 247 D HA 0.039 4.678 4.640 -0.001 0.000 0.217 247 D C -0.389 175.473 176.300 -0.732 0.000 1.050 247 D CA 0.279 53.952 54.000 -0.546 0.000 0.856 247 D CB 0.073 40.316 40.800 -0.928 0.000 0.922 247 D HN 0.438 nan 8.370 nan 0.000 0.518 248 W N 1.416 122.761 121.300 0.074 0.000 2.864 248 W HA 0.243 4.902 4.660 -0.001 0.000 0.343 248 W C -0.053 176.549 176.519 0.138 0.000 1.109 248 W CA -1.186 56.243 57.345 0.141 0.000 1.192 248 W CB 0.796 30.341 29.460 0.142 0.000 1.426 248 W HN -0.270 nan 8.180 nan 0.000 0.529 249 D N -0.260 120.387 120.400 0.412 0.000 2.371 249 D HA 0.033 4.673 4.640 -0.001 0.000 0.242 249 D C 0.793 177.232 176.300 0.231 0.000 1.218 249 D CA -0.046 54.112 54.000 0.263 0.000 0.945 249 D CB 0.684 41.617 40.800 0.221 0.000 1.137 249 D HN 0.279 nan 8.370 nan 0.000 0.464 250 D N -0.457 120.037 120.400 0.157 0.000 2.133 250 D HA -0.163 4.477 4.640 -0.001 0.000 0.192 250 D C 1.968 178.333 176.300 0.109 0.000 1.001 250 D CA 0.830 54.901 54.000 0.118 0.000 0.844 250 D CB -0.132 40.720 40.800 0.086 0.000 0.944 250 D HN 0.237 nan 8.370 nan 0.000 0.447 251 L N 0.813 122.102 121.223 0.110 0.000 2.012 251 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 251 L C 2.325 179.253 176.870 0.096 0.000 1.073 251 L CA 1.531 56.423 54.840 0.087 0.000 0.748 251 L CB -1.057 41.049 42.059 0.077 0.000 0.891 251 L HN -0.011 nan 8.230 nan 0.000 0.431 252 S N -0.448 115.346 115.700 0.157 0.000 2.428 252 S HA -0.024 4.446 4.470 -0.001 0.000 0.230 252 S C 2.066 176.720 174.600 0.090 0.000 1.014 252 S CA 0.813 59.118 58.200 0.175 0.000 0.957 252 S CB -0.040 63.344 63.200 0.307 0.000 0.784 252 S HN 0.514 nan 8.310 nan 0.000 0.499 253 A N 1.686 124.572 122.820 0.109 0.000 1.902 253 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 253 A C 2.435 179.995 177.584 -0.040 0.000 1.181 253 A CA 1.695 53.746 52.037 0.023 0.000 0.623 253 A CB -0.986 18.072 19.000 0.096 0.000 0.818 253 A HN 0.517 nan 8.150 nan 0.000 0.443 254 V N -2.411 117.505 119.914 0.003 0.000 2.453 254 V HA 0.001 4.120 4.120 -0.001 0.000 0.247 254 V C 2.521 178.598 176.094 -0.028 0.000 1.048 254 V CA 1.637 63.929 62.300 -0.013 0.000 1.049 254 V CB -1.516 30.311 31.823 0.008 0.000 0.672 254 V HN 0.504 nan 8.190 nan 0.000 0.457 255 A N 1.207 124.031 122.820 0.006 0.000 1.892 255 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 255 A C 2.230 179.789 177.584 -0.041 0.000 1.188 255 A CA 2.514 54.575 52.037 0.040 0.000 0.631 255 A CB -0.769 18.331 19.000 0.166 0.000 0.822 255 A HN 0.600 nan 8.150 nan 0.000 0.447 256 I N -0.598 119.860 120.570 -0.187 0.000 2.142 256 I HA -0.269 3.901 4.170 -0.001 0.000 0.240 256 I C 2.463 178.417 176.117 -0.273 0.000 1.078 256 I CA 1.298 62.346 61.300 -0.421 0.000 1.343 256 I CB -0.398 37.135 38.000 -0.777 0.000 1.046 256 I HN 0.292 nan 8.210 nan 0.000 0.405 257 L N 0.247 121.352 121.223 -0.197 0.000 2.079 257 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 257 L C 2.793 179.594 176.870 -0.115 0.000 1.081 257 L CA 1.291 56.049 54.840 -0.138 0.000 0.752 257 L CB -0.504 41.501 42.059 -0.090 0.000 0.896 257 L HN 0.234 nan 8.230 nan 0.000 0.433 258 R N -0.208 120.237 120.500 -0.093 0.000 2.083 258 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 258 R C 2.482 178.726 176.300 -0.094 0.000 1.137 258 R CA 1.267 57.324 56.100 -0.073 0.000 0.951 258 R CB -0.027 30.247 30.300 -0.042 0.000 0.851 258 R HN 0.161 nan 8.270 nan 0.000 0.434 259 R N 0.021 120.460 120.500 -0.102 0.000 2.120 259 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 259 R C 2.244 178.436 176.300 -0.181 0.000 1.123 259 R CA 1.280 57.315 56.100 -0.109 0.000 0.975 259 R CB -0.991 29.259 30.300 -0.082 0.000 0.866 259 R HN 0.400 nan 8.270 nan 0.000 0.446 260 C N -0.122 119.053 119.300 -0.208 0.000 2.467 260 C HA 0.121 4.580 4.460 -0.001 0.000 0.279 260 C C 2.828 177.614 174.990 -0.340 0.000 1.347 260 C CA 0.283 59.109 59.018 -0.320 0.000 1.748 260 C CB -0.937 26.692 27.740 -0.185 0.000 1.977 260 C HN 0.502 nan 8.230 nan 0.000 0.501 261 A N 1.487 124.188 122.820 -0.198 0.000 1.865 261 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 261 A C 1.980 179.468 177.584 -0.161 0.000 1.191 261 A CA 1.943 53.892 52.037 -0.146 0.000 0.623 261 A CB -0.633 18.312 19.000 -0.092 0.000 0.826 261 A HN 0.706 nan 8.150 nan 0.000 0.444 262 E N -0.104 120.007 120.200 -0.149 0.000 2.038 262 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 262 E C 2.313 178.815 176.600 -0.163 0.000 1.000 262 E CA 1.090 57.417 56.400 -0.122 0.000 0.803 262 E CB -0.389 29.257 29.700 -0.090 0.000 0.750 262 E HN 0.602 nan 8.360 nan 0.000 0.448 263 A N 1.477 124.129 122.820 -0.280 0.000 1.940 263 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 263 A C 2.369 179.748 177.584 -0.343 0.000 1.176 263 A CA 1.818 53.645 52.037 -0.351 0.000 0.631 263 A CB -0.606 18.006 19.000 -0.645 0.000 0.814 263 A HN 0.299 nan 8.150 nan 0.000 0.446 264 A N -1.460 121.089 122.820 -0.451 0.000 2.067 264 A HA 0.421 4.740 4.320 -0.001 0.000 0.217 264 A C 1.903 179.474 177.584 -0.022 0.000 1.156 264 A CA 1.433 53.391 52.037 -0.132 0.000 0.683 264 A CB -1.224 17.712 19.000 -0.106 0.000 0.808 264 A HN 1.976 nan 8.150 nan 0.000 0.455 265 G N -0.248 108.517 108.800 -0.058 0.000 2.581 265 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.291 265 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.291 265 G C 1.111 176.006 174.900 -0.007 0.000 1.277 265 G CA 1.478 46.564 45.100 -0.023 0.000 0.959 265 G HN 1.475 nan 8.290 nan 0.000 0.554 266 S N -0.840 114.863 115.700 0.004 0.000 2.528 266 S HA 0.365 4.835 4.470 -0.001 0.000 0.219 266 S C 1.921 176.532 174.600 0.018 0.000 0.985 266 S CA 1.198 59.403 58.200 0.008 0.000 0.914 266 S CB 0.556 63.760 63.200 0.006 0.000 0.776 266 S HN 1.960 nan 8.310 nan 0.000 0.526 267 G N 0.343 109.161 108.800 0.030 0.000 3.192 267 G HA2 0.551 4.511 3.960 -0.001 0.000 0.239 267 G HA3 0.551 4.511 3.960 -0.001 0.000 0.239 267 G C 0.360 175.297 174.900 0.062 0.000 1.084 267 G CA 0.019 45.143 45.100 0.040 0.000 0.784 267 G HN 0.645 nan 8.290 nan 0.000 0.540 268 G N -0.603 108.242 108.800 0.075 0.000 2.441 268 G HA2 0.509 4.468 3.960 -0.001 0.000 0.334 268 G HA3 0.509 4.468 3.960 -0.001 0.000 0.334 268 G C -1.253 173.710 174.900 0.104 0.000 1.161 268 G CA -0.561 44.614 45.100 0.126 0.000 0.935 268 G HN 0.330 nan 8.290 nan 0.000 0.488 269 V N 1.106 121.100 119.914 0.132 0.000 2.555 269 V HA 0.631 4.750 4.120 -0.001 0.000 0.302 269 V C -0.627 175.540 176.094 0.121 0.000 1.038 269 V CA -0.586 61.771 62.300 0.095 0.000 0.887 269 V CB 1.821 33.689 31.823 0.075 0.000 0.991 269 V HN 0.494 nan 8.190 nan 0.000 0.434 270 V N 7.910 127.868 119.914 0.072 0.000 2.370 270 V HA 0.476 4.595 4.120 -0.001 0.000 0.283 270 V C -0.213 175.892 176.094 0.019 0.000 1.023 270 V CA -0.455 61.885 62.300 0.068 0.000 0.857 270 V CB 1.433 33.268 31.823 0.021 0.000 0.985 270 V HN 0.709 nan 8.190 nan 0.000 0.443 271 L N 5.874 127.101 121.223 0.007 0.000 2.324 271 L HA 0.495 4.834 4.340 -0.001 0.000 0.274 271 L C -0.425 176.443 176.870 -0.004 0.000 1.012 271 L CA -0.629 54.181 54.840 -0.051 0.000 0.859 271 L CB 1.594 43.551 42.059 -0.170 0.000 1.224 271 L HN 0.334 nan 8.230 nan 0.000 0.429 272 V N 5.164 125.076 119.914 -0.002 0.000 2.427 272 V HA 0.266 4.385 4.120 -0.001 0.000 0.268 272 V C 0.373 176.484 176.094 0.029 0.000 1.046 272 V CA 0.124 62.431 62.300 0.011 0.000 0.970 272 V CB 1.088 32.913 31.823 0.004 0.000 1.001 272 V HN 0.509 nan 8.190 nan 0.000 0.476 273 I N 6.687 127.296 120.570 0.065 0.000 2.405 273 I HA 0.549 4.719 4.170 -0.001 0.000 0.280 273 I C 0.128 176.321 176.117 0.127 0.000 1.027 273 I CA -0.095 61.261 61.300 0.093 0.000 1.161 273 I CB 0.778 38.890 38.000 0.187 0.000 1.300 273 I HN 0.836 nan 8.210 nan 0.000 0.463 274 E N 5.086 125.341 120.200 0.092 0.000 2.442 274 E HA 0.650 4.999 4.350 -0.001 0.000 0.278 274 E C -1.423 175.272 176.600 0.158 0.000 1.082 274 E CA -1.221 55.273 56.400 0.157 0.000 0.861 274 E CB 1.411 31.166 29.700 0.091 0.000 1.462 274 E HN 0.370 nan 8.360 nan 0.000 0.458 275 A N 1.480 124.444 122.820 0.240 0.000 2.444 275 A HA 0.398 4.718 4.320 -0.001 0.000 0.287 275 A C 0.051 177.720 177.584 0.142 0.000 1.195 275 A CA -0.404 51.734 52.037 0.169 0.000 0.858 275 A CB -0.332 18.764 19.000 0.160 0.000 1.117 275 A HN 0.330 nan 8.150 nan 0.000 0.521 276 V N 2.695 122.666 119.914 0.095 0.000 2.775 276 V HA 0.355 4.475 4.120 -0.001 0.000 0.299 276 V C 1.239 177.367 176.094 0.057 0.000 1.062 276 V CA 0.070 62.416 62.300 0.076 0.000 1.063 276 V CB 1.052 32.907 31.823 0.054 0.000 0.994 276 V HN 1.074 nan 8.190 nan 0.000 0.483 277 A N 3.743 126.594 122.820 0.052 0.000 2.531 277 A HA 0.552 4.871 4.320 -0.001 0.000 0.236 277 A C 0.927 178.527 177.584 0.026 0.000 1.062 277 A CA 0.768 52.826 52.037 0.036 0.000 0.760 277 A CB -0.649 18.371 19.000 0.034 0.000 0.995 277 A HN 2.281 nan 8.150 nan 0.000 0.501 283 G N -0.497 108.303 108.800 0.000 0.000 2.887 283 G HA2 0.555 4.515 3.960 -0.001 0.000 0.277 283 G HA3 0.555 4.515 3.960 -0.001 0.000 0.277 283 G C 0.985 175.882 174.900 -0.004 0.000 1.346 283 G CA 0.415 45.512 45.100 -0.005 0.000 1.058 283 G HN 0.824 nan 8.290 nan 0.000 0.535 284 T N -2.720 111.832 114.554 -0.003 0.000 3.035 284 T HA 0.041 4.391 4.350 -0.001 0.000 0.268 284 T C 2.265 176.970 174.700 0.008 0.000 1.109 284 T CA 1.478 63.581 62.100 0.004 0.000 1.119 284 T CB -0.168 68.702 68.868 0.004 0.000 0.900 284 T HN 0.624 nan 8.240 nan 0.000 0.503 285 G N 1.417 110.213 108.800 -0.006 0.000 2.402 285 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.216 285 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.216 285 G C 1.455 176.374 174.900 0.032 0.000 1.162 285 G CA 1.039 46.135 45.100 -0.007 0.000 0.777 285 G HN 0.475 nan 8.290 nan 0.000 0.539 286 M N 1.015 120.610 119.600 -0.008 0.000 2.200 286 M HA 0.069 4.549 4.480 -0.001 0.000 0.265 286 M C 1.869 178.136 176.300 -0.056 0.000 1.066 286 M CA 1.933 57.204 55.300 -0.049 0.000 1.127 286 M CB -0.370 32.178 32.600 -0.087 0.000 1.379 286 M HN 0.227 nan 8.290 nan 0.000 0.420 287 D N -0.390 119.997 120.400 -0.022 0.000 2.117 287 D HA -0.164 4.476 4.640 -0.001 0.000 0.197 287 D C 1.864 178.182 176.300 0.030 0.000 0.987 287 D CA 1.485 55.481 54.000 -0.006 0.000 0.829 287 D CB -0.139 40.670 40.800 0.015 0.000 0.961 287 D HN 0.489 nan 8.370 nan 0.000 0.460 288 L N -0.205 121.070 121.223 0.087 0.000 2.141 288 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 288 L C 2.706 179.671 176.870 0.159 0.000 1.094 288 L CA 0.699 55.642 54.840 0.171 0.000 0.763 288 L CB -0.432 41.793 42.059 0.277 0.000 0.908 288 L HN 0.105 nan 8.230 nan 0.000 0.437 289 R N 0.004 120.589 120.500 0.141 0.000 2.075 289 R HA -0.153 4.186 4.340 -0.001 0.000 0.232 289 R C 2.382 178.503 176.300 -0.299 0.000 1.126 289 R CA 1.230 57.257 56.100 -0.121 0.000 0.963 289 R CB 0.014 30.222 30.300 -0.153 0.000 0.858 289 R HN 0.182 nan 8.270 nan 0.000 0.435 290 M N 0.605 120.105 119.600 -0.167 0.000 2.159 290 M HA -0.154 4.326 4.480 -0.001 0.000 0.263 290 M C 2.236 178.544 176.300 0.013 0.000 1.063 290 M CA 1.111 56.388 55.300 -0.039 0.000 1.110 290 M CB -1.006 31.599 32.600 0.008 0.000 1.374 290 M HN 0.244 nan 8.290 nan 0.000 0.411 291 L N 0.610 121.829 121.223 -0.006 0.000 1.994 291 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 291 L C 2.629 179.473 176.870 -0.044 0.000 1.071 291 L CA 2.507 57.353 54.840 0.011 0.000 0.745 291 L CB -1.116 40.960 42.059 0.029 0.000 0.892 291 L HN 0.504 nan 8.230 nan 0.000 0.431 292 T N -3.600 110.880 114.554 -0.124 0.000 2.951 292 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 292 T C 1.801 176.374 174.700 -0.212 0.000 1.073 292 T CA 1.209 63.197 62.100 -0.187 0.000 1.134 292 T CB -0.664 67.947 68.868 -0.428 0.000 0.884 292 T HN 0.353 nan 8.240 nan 0.000 0.479 293 Y N 1.192 121.111 120.300 -0.636 0.000 2.153 293 Y HA 0.250 4.799 4.550 -0.000 0.000 0.289 293 Y C 1.647 176.872 175.900 -1.125 0.000 1.119 293 Y CA 0.547 57.963 58.100 -1.141 0.000 1.116 293 Y CB -0.127 37.127 38.460 -2.010 0.000 1.004 293 Y HN 0.369 nan 8.280 nan 0.000 0.501 294 F N -2.799 117.040 119.950 -0.186 0.000 2.798 294 F HA 0.486 5.012 4.527 -0.001 0.000 0.328 294 F C 1.486 177.235 175.800 -0.085 0.000 1.098 294 F CA 0.045 57.916 58.000 -0.216 0.000 1.172 294 F CB 0.254 39.022 39.000 -0.386 0.000 1.072 294 F HN -0.034 nan 8.300 nan 0.000 0.555 295 G N 0.930 109.804 108.800 0.123 0.000 2.160 295 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.244 295 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.244 295 G C 0.585 175.579 174.900 0.156 0.000 1.022 295 G CA -0.120 45.052 45.100 0.119 0.000 0.741 295 G HN 0.807 nan 8.290 nan 0.000 0.508 296 G N -0.484 108.429 108.800 0.188 0.000 2.543 296 G HA2 0.895 4.854 3.960 -0.001 0.000 0.267 296 G HA3 0.895 4.854 3.960 -0.001 0.000 0.267 296 G C -0.035 174.948 174.900 0.138 0.000 1.406 296 G CA -0.026 45.181 45.100 0.178 0.000 1.048 296 G HN 1.345 nan 8.290 nan 0.000 0.548 297 K N -1.100 119.384 120.400 0.140 0.000 2.639 297 K HA 0.302 4.621 4.320 -0.001 0.000 0.279 297 K C -1.406 175.262 176.600 0.113 0.000 0.976 297 K CA -0.800 55.548 56.287 0.101 0.000 0.861 297 K CB 1.631 34.187 32.500 0.093 0.000 1.436 297 K HN 0.399 nan 8.250 nan 0.000 0.400 298 E N 1.989 122.229 120.200 0.066 0.000 2.289 298 E HA 0.212 4.562 4.350 -0.001 0.000 0.278 298 E C -0.588 176.063 176.600 0.085 0.000 1.032 298 E CA -0.445 56.001 56.400 0.076 0.000 0.854 298 E CB 1.163 30.881 29.700 0.029 0.000 1.046 298 E HN 0.298 nan 8.360 nan 0.000 0.409 299 R N 0.769 121.329 120.500 0.101 0.000 2.873 299 R HA 0.380 4.720 4.340 -0.001 0.000 0.264 299 R C -0.050 176.288 176.300 0.064 0.000 1.026 299 R CA -0.692 55.455 56.100 0.078 0.000 1.002 299 R CB 1.660 32.009 30.300 0.082 0.000 1.174 299 R HN 0.574 nan 8.270 nan 0.000 0.488 300 S N 0.211 115.940 115.700 0.049 0.000 2.730 300 S HA 0.187 4.657 4.470 -0.001 0.000 0.284 300 S C 0.972 175.594 174.600 0.037 0.000 1.153 300 S CA -0.697 57.526 58.200 0.039 0.000 0.995 300 S CB 0.771 63.989 63.200 0.030 0.000 1.058 300 S HN 0.415 nan 8.310 nan 0.000 0.552 301 L N 1.107 122.348 121.223 0.030 0.000 2.083 301 L HA 0.037 4.376 4.340 -0.001 0.000 0.209 301 L C 2.842 179.726 176.870 0.023 0.000 1.083 301 L CA 2.177 57.033 54.840 0.026 0.000 0.752 301 L CB -1.841 40.230 42.059 0.020 0.000 0.899 301 L HN 0.974 nan 8.230 nan 0.000 0.433 302 A N -0.836 121.997 122.820 0.021 0.000 1.877 302 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 302 A C 2.197 179.794 177.584 0.023 0.000 1.186 302 A CA 1.651 53.700 52.037 0.018 0.000 0.620 302 A CB -0.485 18.525 19.000 0.017 0.000 0.822 302 A HN 0.512 nan 8.150 nan 0.000 0.443 303 E N -0.173 120.044 120.200 0.028 0.000 2.153 303 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 303 E C 1.911 178.532 176.600 0.035 0.000 0.988 303 E CA 0.948 57.368 56.400 0.034 0.000 0.811 303 E CB -0.267 29.458 29.700 0.042 0.000 0.746 303 E HN 0.610 nan 8.360 nan 0.000 0.466 304 L N 0.286 121.530 121.223 0.034 0.000 2.109 304 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 304 L C 2.568 179.451 176.870 0.021 0.000 1.086 304 L CA 0.980 55.839 54.840 0.031 0.000 0.760 304 L CB -0.607 41.471 42.059 0.032 0.000 0.910 304 L HN 0.233 nan 8.230 nan 0.000 0.437 305 G N -0.501 108.311 108.800 0.020 0.000 2.440 305 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 305 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 305 G C 1.464 176.372 174.900 0.013 0.000 1.154 305 G CA 0.371 45.480 45.100 0.014 0.000 0.767 305 G HN 0.232 nan 8.290 nan 0.000 0.552 306 E N 0.491 120.701 120.200 0.016 0.000 2.031 306 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 306 E C 2.774 179.383 176.600 0.015 0.000 0.994 306 E CA 0.533 56.943 56.400 0.016 0.000 0.800 306 E CB -0.492 29.221 29.700 0.021 0.000 0.752 306 E HN 0.445 nan 8.360 nan 0.000 0.447 307 L N 0.515 121.749 121.223 0.018 0.000 1.989 307 L HA -0.226 4.113 4.340 -0.001 0.000 0.211 307 L C 2.628 179.500 176.870 0.003 0.000 1.071 307 L CA 1.392 56.241 54.840 0.015 0.000 0.749 307 L CB -0.760 41.311 42.059 0.019 0.000 0.890 307 L HN 0.077 nan 8.230 nan 0.000 0.431 308 A N 0.192 123.013 122.820 0.001 0.000 1.892 308 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 308 A C 2.554 180.134 177.584 -0.005 0.000 1.188 308 A CA 2.196 54.229 52.037 -0.006 0.000 0.631 308 A CB -0.858 18.141 19.000 -0.002 0.000 0.822 308 A HN 0.455 nan 8.150 nan 0.000 0.447 309 A N -0.803 122.017 122.820 0.000 0.000 1.908 309 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 309 A C 2.100 179.683 177.584 -0.002 0.000 1.181 309 A CA 1.725 53.762 52.037 -0.000 0.000 0.627 309 A CB -0.639 18.363 19.000 0.004 0.000 0.818 309 A HN 0.685 nan 8.150 nan 0.000 0.445 310 Q N -1.038 118.762 119.800 0.001 0.000 2.291 310 Q HA -0.012 4.327 4.340 -0.001 0.000 0.205 310 Q C 1.847 177.843 176.000 -0.006 0.000 0.970 310 Q CA 1.082 56.885 55.803 0.000 0.000 0.876 310 Q CB -0.251 28.490 28.738 0.006 0.000 0.935 310 Q HN 0.672 nan 8.270 nan 0.000 0.455 311 A N -0.012 122.801 122.820 -0.013 0.000 2.345 311 A HA 0.392 4.712 4.320 -0.001 0.000 0.225 311 A C 1.233 178.802 177.584 -0.025 0.000 1.243 311 A CA 0.501 52.524 52.037 -0.023 0.000 0.875 311 A CB -0.017 18.962 19.000 -0.036 0.000 0.929 311 A HN 0.374 nan 8.150 nan 0.000 0.502 312 G N -0.774 108.016 108.800 -0.017 0.000 2.198 312 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.257 312 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.257 312 G C -0.095 174.795 174.900 -0.017 0.000 1.042 312 G CA 0.661 45.751 45.100 -0.016 0.000 0.791 312 G HN 0.493 nan 8.290 nan 0.000 0.502 313 L N -1.045 120.169 121.223 -0.016 0.000 2.283 313 L HA 0.967 5.306 4.340 -0.001 0.000 0.259 313 L C 0.321 177.188 176.870 -0.006 0.000 1.027 313 L CA -0.807 54.025 54.840 -0.013 0.000 0.828 313 L CB 2.254 44.302 42.059 -0.018 0.000 1.380 313 L HN 0.486 nan 8.230 nan 0.000 0.425 314 A N 0.300 123.119 122.820 -0.001 0.000 2.455 314 A HA 0.694 5.014 4.320 -0.001 0.000 0.300 314 A C -1.073 176.515 177.584 0.007 0.000 1.040 314 A CA -0.503 51.536 52.037 0.003 0.000 0.697 314 A CB 1.592 20.593 19.000 0.002 0.000 1.265 314 A HN 0.287 nan 8.150 nan 0.000 0.407 315 V N 2.903 122.822 119.914 0.009 0.000 2.637 315 V HA 0.220 4.339 4.120 -0.001 0.000 0.296 315 V C 1.029 177.131 176.094 0.014 0.000 1.046 315 V CA 0.274 62.584 62.300 0.015 0.000 1.066 315 V CB 0.606 32.438 31.823 0.015 0.000 0.968 315 V HN 0.985 nan 8.190 nan 0.000 0.483 316 R N 2.625 123.138 120.500 0.022 0.000 2.521 316 R HA 0.629 4.968 4.340 -0.001 0.000 0.289 316 R C 0.083 176.391 176.300 0.014 0.000 0.936 316 R CA 0.386 56.495 56.100 0.016 0.000 1.089 316 R CB 1.118 31.431 30.300 0.021 0.000 1.348 316 R HN 0.707 nan 8.270 nan 0.000 0.536 317 A N 0.874 123.713 122.820 0.032 0.000 2.597 317 A HA 0.762 5.081 4.320 -0.001 0.000 0.292 317 A C -1.810 175.806 177.584 0.053 0.000 1.057 317 A CA -0.346 51.695 52.037 0.006 0.000 0.674 317 A CB 1.690 20.740 19.000 0.083 0.000 1.278 317 A HN 0.110 nan 8.150 nan 0.000 0.416 318 A N 1.774 124.581 122.820 -0.022 0.000 2.667 318 A HA 0.636 4.956 4.320 -0.001 0.000 0.291 318 A C -1.032 176.576 177.584 0.040 0.000 1.123 318 A CA -0.415 51.667 52.037 0.075 0.000 0.832 318 A CB 0.208 19.224 19.000 0.027 0.000 1.396 318 A HN 0.861 nan 8.150 nan 0.000 0.401 319 H N 3.619 122.703 119.070 0.024 0.000 2.556 319 H HA 0.362 4.917 4.556 -0.001 0.000 0.310 319 H C -2.505 172.834 175.328 0.018 0.000 1.057 319 H CA -1.939 54.126 56.048 0.028 0.000 1.264 319 H CB 1.573 31.369 29.762 0.057 0.000 1.404 319 H HN 0.466 nan 8.280 nan 0.000 0.462 320 P HA 0.194 nan 4.420 nan 0.000 0.275 320 P C -0.186 177.154 177.300 0.066 0.000 1.228 320 P CA -0.180 62.958 63.100 0.062 0.000 0.786 320 P CB 1.477 33.195 31.700 0.030 0.000 0.927 321 I N 1.348 121.939 120.570 0.035 0.000 2.603 321 I HA 0.066 4.235 4.170 -0.001 0.000 0.276 321 I C 0.394 176.530 176.117 0.031 0.000 1.133 321 I CA -0.169 61.153 61.300 0.037 0.000 1.070 321 I CB 1.053 39.068 38.000 0.026 0.000 1.215 321 I HN 0.422 nan 8.210 nan 0.000 0.487 322 S N 2.622 118.350 115.700 0.047 0.000 3.949 322 S HA -0.318 4.151 4.470 -0.001 0.000 0.626 322 S C 1.035 175.655 174.600 0.033 0.000 2.168 322 S CA 1.523 59.765 58.200 0.069 0.000 4.124 322 S CB -0.838 62.524 63.200 0.269 0.000 0.220 322 S HN 0.631 nan 8.310 nan 0.000 0.750 323 Y N 1.878 122.161 120.300 -0.028 0.000 2.241 323 Y HA 0.018 4.568 4.550 -0.001 0.000 0.286 323 Y C 1.556 177.440 175.900 -0.027 0.000 1.166 323 Y CA 1.104 59.193 58.100 -0.018 0.000 1.203 323 Y CB -0.794 37.668 38.460 0.004 0.000 0.977 323 Y HN 0.607 nan 8.280 nan 0.000 0.529 324 V N -3.838 116.124 119.914 0.080 0.000 3.240 324 V HA 0.838 4.958 4.120 -0.001 0.000 0.306 324 V C -0.111 175.967 176.094 -0.027 0.000 1.227 324 V CA -1.025 61.272 62.300 -0.005 0.000 1.047 324 V CB 1.863 33.602 31.823 -0.141 0.000 1.203 324 V HN -0.113 nan 8.190 nan 0.000 0.471 325 S N -0.029 115.659 115.700 -0.020 0.000 2.588 325 S HA 0.731 5.200 4.470 -0.001 0.000 0.275 325 S C -0.847 173.758 174.600 0.009 0.000 1.130 325 S CA -0.534 57.673 58.200 0.013 0.000 0.855 325 S CB 1.613 64.837 63.200 0.040 0.000 1.116 325 S HN 0.731 nan 8.310 nan 0.000 0.472 326 I N 2.268 122.862 120.570 0.038 0.000 2.359 326 I HA 0.368 4.538 4.170 -0.001 0.000 0.284 326 I C -0.507 175.652 176.117 0.070 0.000 1.018 326 I CA -0.810 60.491 61.300 0.001 0.000 1.173 326 I CB 1.479 39.407 38.000 -0.121 0.000 1.326 326 I HN 0.404 nan 8.210 nan 0.000 0.462 327 V N 6.111 126.052 119.914 0.045 0.000 2.350 327 V HA 0.400 4.519 4.120 -0.001 0.000 0.276 327 V C -0.110 176.007 176.094 0.037 0.000 1.028 327 V CA -0.235 62.105 62.300 0.066 0.000 0.860 327 V CB 1.565 33.417 31.823 0.047 0.000 0.990 327 V HN 0.851 nan 8.190 nan 0.000 0.453 328 E N 6.820 127.065 120.200 0.074 0.000 2.167 328 E HA 0.511 4.860 4.350 -0.001 0.000 0.284 328 E C -0.700 175.927 176.600 0.045 0.000 1.016 328 E CA -0.528 55.904 56.400 0.054 0.000 0.817 328 E CB 1.022 30.804 29.700 0.136 0.000 1.080 328 E HN 0.867 nan 8.360 nan 0.000 0.397 329 M N 2.910 122.525 119.600 0.025 0.000 2.528 329 M HA 0.398 4.878 4.480 -0.001 0.000 0.321 329 M C -0.289 176.022 176.300 0.019 0.000 1.153 329 M CA -0.782 54.529 55.300 0.018 0.000 0.951 329 M CB 2.299 34.903 32.600 0.006 0.000 1.705 329 M HN 0.563 nan 8.290 nan 0.000 0.451 330 T N -1.016 113.546 114.554 0.014 0.000 2.864 330 T HA 0.799 5.148 4.350 -0.001 0.000 0.299 330 T C -0.371 174.330 174.700 0.002 0.000 1.166 330 T CA -0.988 61.120 62.100 0.012 0.000 1.007 330 T CB 1.483 70.362 68.868 0.019 0.000 1.219 330 T HN 0.862 nan 8.240 nan 0.000 0.506 331 A N 2.008 124.826 122.820 -0.003 0.000 2.603 331 A HA 0.389 4.709 4.320 -0.001 0.000 0.235 331 A C 0.746 178.327 177.584 -0.005 0.000 1.035 331 A CA -0.204 51.828 52.037 -0.009 0.000 0.755 331 A CB -0.643 18.352 19.000 -0.009 0.000 0.954 331 A HN 0.907 nan 8.150 nan 0.000 0.511 332 L N 0.000 121.219 121.223 -0.007 0.000 2.949 332 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 332 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 332 L CB 0.000 42.056 42.059 -0.006 0.000 0.961 332 L HN 0.000 nan 8.230 nan 0.000 0.502