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 3e6g_1_C DATA FIRST_RESID 14 DATA SEQUENCE ALSLATLAIH GGQSPDPSTG AVMPPIYATS TYAQSSXXXX XXXXXXXTHN DATA SEQUENCE PTRFAYERCV AALEGGTRAF AFASGMAATS TVMELLDAGS HVVAMDDLYG DATA SEQUENCE GTFRLFERVR RRTAGLDFSF VDLTDPAAFK AAIRADTKMV WIETPTNPML DATA SEQUENCE KLVDIAAIAV IARKHGLLTV VDNTFASPML QRPLSLGADL VVHSATKYLN DATA SEQUENCE GHSDMVGGIA VVGDNAELAE QMAFLQNSIG GVQGPFDSFL ALRGLKTLPL DATA SEQUENCE RMRAHCENAL ALAQWLETHP AIEKVIYPGL ASHPQHVLAK RQMSGFGGIV DATA SEQUENCE SIVLKGGFDA AKRFCEKTEL FTLAESLGGV ESLVNHPAVM THASIPVARR DATA SEQUENCE EQLGISDALV RLSVGIEDLG DLRGDLERA 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.580 177.584 -0.006 0.000 1.274 14 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 14 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 15 L N 1.559 122.781 121.223 -0.003 0.000 2.421 15 L HA 0.553 4.892 4.340 -0.001 0.000 0.263 15 L C 0.916 177.789 176.870 0.006 0.000 1.122 15 L CA -0.543 54.299 54.840 0.003 0.000 0.804 15 L CB 1.766 43.831 42.059 0.010 0.000 1.150 15 L HN 0.737 nan 8.230 nan 0.000 0.457 16 S N 0.982 116.687 115.700 0.009 0.000 2.652 16 S HA 0.330 4.799 4.470 -0.001 0.000 0.270 16 S C 1.191 175.798 174.600 0.011 0.000 1.243 16 S CA -0.865 57.339 58.200 0.006 0.000 0.999 16 S CB 1.359 64.561 63.200 0.003 0.000 0.973 16 S HN 0.480 nan 8.310 nan 0.000 0.544 17 L N 0.903 122.127 121.223 0.002 0.000 2.081 17 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 17 L C 2.786 179.659 176.870 0.004 0.000 1.080 17 L CA 1.631 56.471 54.840 0.001 0.000 0.754 17 L CB -0.930 41.125 42.059 -0.008 0.000 0.893 17 L HN 0.921 nan 8.230 nan 0.000 0.433 18 A N -0.806 122.017 122.820 0.004 0.000 2.024 18 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 18 A C 2.298 179.894 177.584 0.020 0.000 1.164 18 A CA 2.367 54.407 52.037 0.004 0.000 0.643 18 A CB -0.613 18.389 19.000 0.002 0.000 0.806 18 A HN 0.440 nan 8.150 nan 0.000 0.451 19 T N -0.619 113.962 114.554 0.045 0.000 3.004 19 T HA 0.138 4.488 4.350 -0.001 0.000 0.243 19 T C 1.733 176.503 174.700 0.116 0.000 1.020 19 T CA 0.769 62.935 62.100 0.109 0.000 1.145 19 T CB -0.248 68.686 68.868 0.109 0.000 0.876 19 T HN 0.302 nan 8.240 nan 0.000 0.449 20 L N 1.331 122.595 121.223 0.069 0.000 2.191 20 L HA -0.018 4.321 4.340 -0.001 0.000 0.212 20 L C 2.734 179.615 176.870 0.019 0.000 1.103 20 L CA 0.782 55.654 54.840 0.054 0.000 0.769 20 L CB -0.474 41.602 42.059 0.029 0.000 0.908 20 L HN 0.243 nan 8.230 nan 0.000 0.438 21 A N -0.592 122.227 122.820 -0.002 0.000 2.216 21 A HA -0.058 4.262 4.320 -0.001 0.000 0.214 21 A C 2.030 179.573 177.584 -0.068 0.000 1.160 21 A CA 1.270 53.293 52.037 -0.024 0.000 0.725 21 A CB -0.387 18.601 19.000 -0.020 0.000 0.784 21 A HN 0.474 nan 8.150 nan 0.000 0.472 22 I N -3.015 117.480 120.570 -0.126 0.000 3.971 22 I HA 0.092 4.261 4.170 -0.001 0.000 0.303 22 I C 1.504 177.384 176.117 -0.395 0.000 1.233 22 I CA 0.243 61.360 61.300 -0.306 0.000 1.346 22 I CB 0.187 37.911 38.000 -0.460 0.000 1.273 22 I HN 0.303 nan 8.210 nan 0.000 0.448 23 H N 0.224 119.295 119.070 0.002 0.000 2.755 23 H HA 0.306 4.862 4.556 -0.001 0.000 0.273 23 H C 1.056 176.386 175.328 0.004 0.000 1.055 23 H CA 0.094 56.145 56.048 0.005 0.000 1.191 23 H CB 0.271 30.035 29.762 0.002 0.000 1.536 23 H HN 0.141 nan 8.280 nan 0.000 0.529 24 G N 0.617 109.466 108.800 0.083 0.000 2.299 24 G HA2 0.257 4.216 3.960 -0.001 0.000 0.256 24 G HA3 0.257 4.216 3.960 -0.001 0.000 0.256 24 G C 1.112 176.032 174.900 0.032 0.000 1.259 24 G CA 0.385 45.514 45.100 0.047 0.000 0.943 24 G HN 0.445 nan 8.290 nan 0.000 0.479 25 G N 1.252 110.068 108.800 0.026 0.000 2.225 25 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.272 25 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.272 25 G C 0.531 175.456 174.900 0.041 0.000 0.996 25 G CA 0.853 45.965 45.100 0.019 0.000 0.710 25 G HN 0.751 nan 8.290 nan 0.000 0.522 26 Q N 0.011 119.847 119.800 0.061 0.000 2.195 26 Q HA 0.678 5.017 4.340 -0.001 0.000 0.250 26 Q C 1.102 177.152 176.000 0.083 0.000 0.988 26 Q CA 0.246 56.090 55.803 0.069 0.000 0.911 26 Q CB 1.378 30.147 28.738 0.052 0.000 1.258 26 Q HN 1.209 nan 8.270 nan 0.000 0.475 27 S N -0.090 115.657 115.700 0.079 0.000 3.194 27 S HA -0.163 4.307 4.470 -0.001 0.000 0.667 27 S C -2.337 172.308 174.600 0.074 0.000 2.742 27 S CA -0.119 58.130 58.200 0.081 0.000 2.901 27 S CB -2.187 61.067 63.200 0.089 0.000 0.318 27 S HN 0.610 nan 8.310 nan 0.000 1.690 28 P HA 0.542 nan 4.420 nan 0.000 0.292 28 P C -1.087 176.253 177.300 0.066 0.000 1.300 28 P CA -0.654 62.485 63.100 0.064 0.000 0.900 28 P CB 0.524 32.256 31.700 0.054 0.000 1.139 29 D N 2.921 123.364 120.400 0.071 0.000 2.659 29 D HA -0.081 4.558 4.640 -0.001 0.000 0.264 29 D C -0.992 175.353 176.300 0.075 0.000 1.329 29 D CA -0.706 53.345 54.000 0.086 0.000 0.963 29 D CB 0.195 41.038 40.800 0.072 0.000 1.136 29 D HN 0.134 nan 8.370 nan 0.000 0.554 30 P HA -0.169 nan 4.420 nan 0.000 0.214 30 P C 0.495 177.828 177.300 0.055 0.000 1.169 30 P CA 0.870 64.007 63.100 0.061 0.000 0.908 30 P CB 0.075 31.811 31.700 0.061 0.000 0.791 31 S N -0.044 115.696 115.700 0.066 0.000 3.456 31 S HA 0.233 4.703 4.470 -0.001 0.000 0.229 31 S C -0.350 174.281 174.600 0.051 0.000 1.416 31 S CA 0.548 58.782 58.200 0.056 0.000 1.197 31 S CB -1.659 61.579 63.200 0.062 0.000 1.201 31 S HN 0.487 nan 8.310 nan 0.000 0.479 32 T N -2.273 112.307 114.554 0.043 0.000 1.903 32 T HA 0.222 4.571 4.350 -0.001 0.000 0.615 32 T C 0.471 175.186 174.700 0.024 0.000 0.914 32 T CA -0.023 62.095 62.100 0.030 0.000 3.257 32 T CB -1.549 67.332 68.868 0.022 0.000 1.946 32 T HN 1.209 nan 8.240 nan 0.000 0.490 33 G N 2.769 111.583 108.800 0.024 0.000 2.979 33 G HA2 0.359 4.318 3.960 -0.001 0.000 0.238 33 G HA3 0.359 4.318 3.960 -0.001 0.000 0.238 33 G C 0.626 175.540 174.900 0.023 0.000 1.805 33 G CA 0.771 45.881 45.100 0.018 0.000 1.389 33 G HN 2.464 nan 8.290 nan 0.000 0.517 34 A N 0.296 123.127 122.820 0.018 0.000 2.591 34 A HA 0.448 4.767 4.320 -0.001 0.000 0.244 34 A C 1.657 179.264 177.584 0.037 0.000 1.031 34 A CA 1.146 53.194 52.037 0.019 0.000 0.767 34 A CB 0.558 19.560 19.000 0.003 0.000 0.942 34 A HN 1.528 nan 8.150 nan 0.000 0.514 35 V N 3.429 123.365 119.914 0.037 0.000 2.488 35 V HA -0.084 4.035 4.120 -0.001 0.000 0.246 35 V C 1.194 177.321 176.094 0.055 0.000 1.046 35 V CA 1.127 63.455 62.300 0.046 0.000 1.053 35 V CB -0.407 31.439 31.823 0.039 0.000 0.679 35 V HN 0.785 nan 8.190 nan 0.000 0.458 36 M N 1.712 121.350 119.600 0.064 0.000 2.157 36 M HA 0.385 4.864 4.480 -0.001 0.000 0.354 36 M C -2.554 173.818 176.300 0.120 0.000 1.170 36 M CA -2.285 53.078 55.300 0.105 0.000 1.060 36 M CB 0.789 33.477 32.600 0.145 0.000 1.615 36 M HN 0.011 nan 8.290 nan 0.000 0.460 37 P HA 0.249 nan 4.420 nan 0.000 0.271 37 P C -2.579 174.756 177.300 0.058 0.000 1.216 37 P CA -0.894 62.282 63.100 0.128 0.000 0.776 37 P CB -0.664 31.134 31.700 0.163 0.000 0.881 38 P HA 0.175 nan 4.420 nan 0.000 0.269 38 P C -0.064 177.030 177.300 -0.342 0.000 1.209 38 P CA 0.090 63.020 63.100 -0.284 0.000 0.776 38 P CB 0.520 31.954 31.700 -0.443 0.000 0.876 39 I N 2.839 123.102 120.570 -0.512 0.000 2.329 39 I HA 0.048 4.217 4.170 -0.001 0.000 0.295 39 I C 0.266 176.093 176.117 -0.484 0.000 1.109 39 I CA -0.348 60.648 61.300 -0.505 0.000 1.297 39 I CB -0.504 37.036 38.000 -0.767 0.000 1.433 39 I HN 0.257 nan 8.210 nan 0.000 0.509 40 Y N 5.693 125.849 120.300 -0.240 0.000 2.620 40 Y HA 0.261 4.811 4.550 -0.001 0.000 0.352 40 Y C 1.005 176.777 175.900 -0.213 0.000 1.140 40 Y CA -0.411 57.583 58.100 -0.177 0.000 1.529 40 Y CB 0.326 38.741 38.460 -0.075 0.000 1.321 40 Y HN 0.623 nan 8.280 nan 0.000 0.501 41 A N 3.424 126.139 122.820 -0.175 0.000 3.004 41 A HA 0.449 4.768 4.320 -0.001 0.000 0.286 41 A C 0.021 177.562 177.584 -0.071 0.000 1.632 41 A CA -0.325 51.632 52.037 -0.135 0.000 1.339 41 A CB -0.770 18.135 19.000 -0.159 0.000 1.136 41 A HN 0.557 nan 8.150 nan 0.000 0.577 42 T N -1.396 113.118 114.554 -0.066 0.000 2.893 42 T HA 0.490 4.839 4.350 -0.001 0.000 0.293 42 T C 1.049 175.688 174.700 -0.103 0.000 1.027 42 T CA 0.002 62.017 62.100 -0.141 0.000 0.988 42 T CB 1.709 70.355 68.868 -0.370 0.000 1.043 42 T HN 0.633 nan 8.240 nan 0.000 0.461 43 S N 1.679 117.327 115.700 -0.086 0.000 2.371 43 S HA 0.145 4.614 4.470 -0.001 0.000 0.219 43 S C 0.933 175.524 174.600 -0.015 0.000 1.040 43 S CA 0.665 58.853 58.200 -0.021 0.000 0.958 43 S CB -0.563 62.638 63.200 0.001 0.000 0.860 43 S HN 1.025 nan 8.310 nan 0.000 0.487 44 T N -0.980 113.518 114.554 -0.094 0.000 2.907 44 T HA 0.704 5.053 4.350 -0.001 0.000 0.290 44 T C -1.442 173.108 174.700 -0.251 0.000 1.066 44 T CA -0.791 61.285 62.100 -0.040 0.000 1.012 44 T CB 1.168 70.065 68.868 0.049 0.000 1.184 44 T HN 0.301 nan 8.240 nan 0.000 0.522 45 Y N -0.141 120.165 120.300 0.010 0.000 2.409 45 Y HA 0.622 5.172 4.550 -0.001 0.000 0.343 45 Y C 0.419 176.313 175.900 -0.010 0.000 0.973 45 Y CA -1.414 56.683 58.100 -0.005 0.000 1.064 45 Y CB 1.742 40.176 38.460 -0.044 0.000 1.207 45 Y HN 0.989 nan 8.280 nan 0.000 0.452 46 A N 3.764 126.654 122.820 0.116 0.000 2.409 46 A HA 0.437 4.757 4.320 -0.001 0.000 0.267 46 A C -0.415 177.208 177.584 0.066 0.000 1.127 46 A CA -0.559 51.520 52.037 0.070 0.000 0.795 46 A CB -0.018 19.007 19.000 0.042 0.000 1.061 46 A HN 0.782 nan 8.150 nan 0.000 0.502 47 Q N 1.789 121.615 119.800 0.043 0.000 2.297 47 Q HA 0.568 4.908 4.340 -0.001 0.000 0.268 47 Q C 0.595 176.604 176.000 0.016 0.000 1.045 47 Q CA -0.451 55.363 55.803 0.019 0.000 0.861 47 Q CB 1.581 30.324 28.738 0.008 0.000 1.344 47 Q HN 0.458 nan 8.270 nan 0.000 0.452 48 S N 0.256 115.961 115.700 0.008 0.000 2.387 48 S HA 0.001 4.471 4.470 -0.001 0.000 0.226 48 S C 0.501 175.106 174.600 0.008 0.000 1.026 48 S CA 1.253 59.458 58.200 0.008 0.000 0.972 48 S CB 0.089 63.292 63.200 0.005 0.000 0.814 48 S HN 0.641 nan 8.310 nan 0.000 0.477 62 H N 1.815 120.891 119.070 0.011 0.000 2.580 62 H HA 0.452 5.007 4.556 -0.001 0.000 0.322 62 H C -0.750 174.406 175.328 -0.286 0.000 1.082 62 H CA 0.034 55.990 56.048 -0.153 0.000 1.383 62 H CB 0.559 30.076 29.762 -0.408 0.000 1.450 62 H HN 0.608 nan 8.280 nan 0.000 0.505 63 N N 6.636 124.654 118.700 -1.138 0.000 2.701 63 N HA 0.110 4.850 4.740 -0.001 0.000 0.258 63 N C -2.434 172.407 175.510 -1.116 0.000 1.262 63 N CA -1.325 51.247 53.050 -0.798 0.000 0.780 63 N CB 1.643 39.910 38.487 -0.366 0.000 1.380 63 N HN 0.335 nan 8.380 nan 0.000 0.548 64 P HA -0.152 nan 4.420 nan 0.000 0.217 64 P C 1.222 178.399 177.300 -0.205 0.000 1.158 64 P CA 1.854 64.626 63.100 -0.547 0.000 0.887 64 P CB 0.311 31.701 31.700 -0.517 0.000 0.792 65 T N -1.021 113.499 114.554 -0.056 0.000 2.708 65 T HA -0.184 4.166 4.350 -0.001 0.000 0.266 65 T C 1.871 176.594 174.700 0.038 0.000 1.037 65 T CA 1.320 63.456 62.100 0.060 0.000 1.146 65 T CB -0.554 68.355 68.868 0.070 0.000 0.865 65 T HN 0.136 nan 8.240 nan 0.000 0.435 66 R N -0.163 120.300 120.500 -0.062 0.000 2.091 66 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 66 R C 2.060 178.430 176.300 0.117 0.000 1.136 66 R CA 1.475 57.585 56.100 0.017 0.000 0.959 66 R CB -0.311 29.955 30.300 -0.057 0.000 0.856 66 R HN 0.313 nan 8.270 nan 0.000 0.437 67 F N 0.201 120.114 119.950 -0.061 0.000 2.234 67 F HA 0.016 4.543 4.527 -0.001 0.000 0.299 67 F C 2.419 178.186 175.800 -0.054 0.000 1.087 67 F CA 0.536 58.476 58.000 -0.101 0.000 1.340 67 F CB -1.162 37.749 39.000 -0.147 0.000 1.031 67 F HN 0.117 nan 8.300 nan 0.000 0.500 68 A N -0.261 122.668 122.820 0.182 0.000 1.858 68 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 68 A C 2.173 179.848 177.584 0.153 0.000 1.190 68 A CA 1.579 53.699 52.037 0.139 0.000 0.617 68 A CB -1.572 17.508 19.000 0.132 0.000 0.827 68 A HN 0.377 nan 8.150 nan 0.000 0.443 69 Y N 0.929 121.244 120.300 0.024 0.000 2.081 69 Y HA -0.260 4.289 4.550 -0.001 0.000 0.280 69 Y C 2.210 178.102 175.900 -0.013 0.000 1.163 69 Y CA 2.223 60.323 58.100 -0.001 0.000 1.135 69 Y CB -0.937 37.526 38.460 0.004 0.000 0.970 69 Y HN 0.526 nan 8.280 nan 0.000 0.498 70 E N -0.390 119.736 120.200 -0.124 0.000 2.038 70 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 70 E C 2.376 178.854 176.600 -0.203 0.000 1.000 70 E CA 1.599 57.838 56.400 -0.270 0.000 0.803 70 E CB -0.192 29.390 29.700 -0.195 0.000 0.750 70 E HN 0.430 nan 8.360 nan 0.000 0.448 71 R N -0.208 120.229 120.500 -0.105 0.000 2.152 71 R HA -0.123 4.216 4.340 -0.001 0.000 0.232 71 R C 2.499 178.758 176.300 -0.068 0.000 1.117 71 R CA 0.999 57.043 56.100 -0.093 0.000 0.981 71 R CB -0.491 29.780 30.300 -0.049 0.000 0.870 71 R HN 0.305 nan 8.270 nan 0.000 0.451 72 C N -0.003 119.271 119.300 -0.042 0.000 2.500 72 C HA 0.005 4.464 4.460 -0.001 0.000 0.279 72 C C 2.616 177.574 174.990 -0.055 0.000 1.288 72 C CA 0.359 59.365 59.018 -0.021 0.000 1.710 72 C CB -0.601 27.157 27.740 0.030 0.000 2.052 72 C HN 0.256 nan 8.230 nan 0.000 0.488 73 V N 1.696 121.539 119.914 -0.118 0.000 2.343 73 V HA -0.155 3.964 4.120 -0.001 0.000 0.247 73 V C 2.877 178.905 176.094 -0.109 0.000 1.051 73 V CA 2.185 64.397 62.300 -0.148 0.000 1.036 73 V CB -1.294 30.359 31.823 -0.284 0.000 0.654 73 V HN 0.663 nan 8.190 nan 0.000 0.451 74 A N -0.131 122.613 122.820 -0.127 0.000 1.986 74 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 74 A C 2.374 179.923 177.584 -0.058 0.000 1.171 74 A CA 2.277 54.256 52.037 -0.097 0.000 0.640 74 A CB -0.635 18.284 19.000 -0.136 0.000 0.811 74 A HN 0.591 nan 8.150 nan 0.000 0.451 75 A N -0.491 122.298 122.820 -0.052 0.000 1.874 75 A HA 0.118 4.438 4.320 -0.001 0.000 0.214 75 A C 2.107 179.679 177.584 -0.020 0.000 1.189 75 A CA 1.257 53.275 52.037 -0.031 0.000 0.615 75 A CB -0.508 18.480 19.000 -0.020 0.000 0.830 75 A HN 0.444 nan 8.150 nan 0.000 0.443 76 L N -0.566 120.643 121.223 -0.023 0.000 2.141 76 L HA -0.100 4.239 4.340 -0.001 0.000 0.209 76 L C 2.320 179.186 176.870 -0.006 0.000 1.094 76 L CA 0.927 55.758 54.840 -0.015 0.000 0.763 76 L CB -0.368 41.678 42.059 -0.021 0.000 0.908 76 L HN 0.269 nan 8.230 nan 0.000 0.437 77 E N 0.136 120.333 120.200 -0.004 0.000 2.358 77 E HA -0.055 4.295 4.350 -0.001 0.000 0.195 77 E C 1.718 178.324 176.600 0.009 0.000 1.010 77 E CA 0.861 57.273 56.400 0.021 0.000 0.856 77 E CB 0.130 29.858 29.700 0.047 0.000 0.795 77 E HN 0.502 nan 8.360 nan 0.000 0.504 78 G N 0.507 109.305 108.800 -0.003 0.000 2.176 78 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.253 78 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.253 78 G C 0.686 175.582 174.900 -0.008 0.000 0.979 78 G CA 0.293 45.390 45.100 -0.006 0.000 0.641 78 G HN 0.551 nan 8.290 nan 0.000 0.530 79 G N -0.930 107.864 108.800 -0.010 0.000 2.621 79 G HA2 0.558 4.518 3.960 -0.001 0.000 0.271 79 G HA3 0.558 4.518 3.960 -0.001 0.000 0.271 79 G C 1.209 176.092 174.900 -0.028 0.000 1.236 79 G CA 1.073 46.168 45.100 -0.009 0.000 0.958 79 G HN 1.162 nan 8.290 nan 0.000 0.512 80 T N -3.011 111.527 114.554 -0.027 0.000 3.042 80 T HA 0.272 4.622 4.350 -0.001 0.000 0.245 80 T C 0.954 175.592 174.700 -0.103 0.000 1.029 80 T CA 0.150 62.221 62.100 -0.048 0.000 1.120 80 T CB 0.198 69.051 68.868 -0.025 0.000 0.917 80 T HN 0.415 nan 8.240 nan 0.000 0.467 81 R N 0.395 120.816 120.500 -0.131 0.000 2.604 81 R HA 0.780 5.120 4.340 -0.001 0.000 0.281 81 R C -1.223 174.825 176.300 -0.420 0.000 1.020 81 R CA -0.677 55.227 56.100 -0.327 0.000 0.899 81 R CB 2.304 32.371 30.300 -0.389 0.000 1.205 81 R HN 0.366 nan 8.270 nan 0.000 0.450 82 A N 2.325 124.812 122.820 -0.555 0.000 2.282 82 A HA 0.908 5.228 4.320 -0.001 0.000 0.324 82 A C -1.223 175.865 177.584 -0.826 0.000 1.119 82 A CA -0.521 51.248 52.037 -0.448 0.000 0.880 82 A CB 0.846 19.685 19.000 -0.268 0.000 1.294 82 A HN 0.549 nan 8.150 nan 0.000 0.493 83 F N -0.638 119.235 119.950 -0.129 0.000 2.607 83 F HA 0.574 5.100 4.527 -0.001 0.000 0.322 83 F C 0.324 175.821 175.800 -0.506 0.000 1.176 83 F CA -0.310 57.525 58.000 -0.274 0.000 0.977 83 F CB 2.012 40.906 39.000 -0.176 0.000 1.242 83 F HN 0.698 nan 8.300 nan 0.000 0.465 84 A N 3.619 126.204 122.820 -0.392 0.000 2.276 84 A HA 0.852 5.172 4.320 -0.001 0.000 0.316 84 A C -1.417 175.904 177.584 -0.437 0.000 1.229 84 A CA -0.285 51.588 52.037 -0.274 0.000 0.851 84 A CB 0.289 19.288 19.000 -0.002 0.000 1.165 84 A HN 0.547 nan 8.150 nan 0.000 0.513 85 F N 0.940 121.011 119.950 0.202 0.000 2.561 85 F HA 0.563 5.090 4.527 -0.001 0.000 0.321 85 F C 1.424 177.320 175.800 0.161 0.000 1.065 85 F CA -0.106 57.996 58.000 0.169 0.000 0.934 85 F CB 1.828 40.922 39.000 0.157 0.000 1.215 85 F HN 0.676 nan 8.300 nan 0.000 0.471 86 A N 1.208 124.235 122.820 0.344 0.000 1.971 86 A HA -0.083 4.237 4.320 -0.001 0.000 0.222 86 A C 0.811 178.518 177.584 0.205 0.000 1.182 86 A CA 2.330 54.503 52.037 0.226 0.000 0.649 86 A CB -0.754 18.356 19.000 0.183 0.000 0.818 86 A HN 0.829 nan 8.150 nan 0.000 0.458 87 S N -5.338 110.499 115.700 0.229 0.000 2.625 87 S HA 0.549 5.019 4.470 -0.001 0.000 0.271 87 S C 1.017 175.741 174.600 0.206 0.000 1.161 87 S CA 0.144 58.454 58.200 0.184 0.000 0.820 87 S CB 0.909 64.186 63.200 0.129 0.000 1.137 87 S HN 1.000 nan 8.310 nan 0.000 0.470 88 G N 0.930 109.838 108.800 0.180 0.000 2.513 88 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 88 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 88 G C 1.180 176.166 174.900 0.143 0.000 1.160 88 G CA 1.662 46.867 45.100 0.175 0.000 0.767 88 G HN 0.536 nan 8.290 nan 0.000 0.571 89 M N 1.351 121.017 119.600 0.111 0.000 2.080 89 M HA 0.087 4.566 4.480 -0.001 0.000 0.260 89 M C 2.877 179.177 176.300 -0.000 0.000 1.068 89 M CA 1.175 56.507 55.300 0.053 0.000 1.109 89 M CB -1.100 31.524 32.600 0.041 0.000 1.342 89 M HN 0.300 nan 8.290 nan 0.000 0.405 90 A N -0.898 121.930 122.820 0.012 0.000 2.070 90 A HA 0.067 4.387 4.320 -0.001 0.000 0.220 90 A C 2.303 179.667 177.584 -0.366 0.000 1.159 90 A CA 1.840 53.832 52.037 -0.076 0.000 0.656 90 A CB -0.987 18.042 19.000 0.049 0.000 0.800 90 A HN 0.524 nan 8.150 nan 0.000 0.453 91 A N -0.856 121.803 122.820 -0.267 0.000 1.854 91 A HA -0.023 4.296 4.320 -0.001 0.000 0.214 91 A C 2.290 179.747 177.584 -0.211 0.000 1.192 91 A CA 2.134 53.873 52.037 -0.496 0.000 0.611 91 A CB -1.352 17.741 19.000 0.155 0.000 0.832 91 A HN 0.391 nan 8.150 nan 0.000 0.442 92 T N 1.072 115.654 114.554 0.045 0.000 2.544 92 T HA -0.227 4.123 4.350 -0.001 0.000 0.264 92 T C 2.214 176.938 174.700 0.039 0.000 1.096 92 T CA 2.382 64.575 62.100 0.155 0.000 1.181 92 T CB -0.734 68.160 68.868 0.043 0.000 0.864 92 T HN 0.598 nan 8.240 nan 0.000 0.415 93 S N 1.306 116.979 115.700 -0.045 0.000 2.390 93 S HA -0.233 4.236 4.470 -0.001 0.000 0.234 93 S C 2.284 176.848 174.600 -0.059 0.000 1.063 93 S CA 2.101 60.277 58.200 -0.040 0.000 1.108 93 S CB -1.264 61.898 63.200 -0.063 0.000 0.975 93 S HN 0.580 nan 8.310 nan 0.000 0.442 94 T N 1.920 116.355 114.554 -0.198 0.000 2.777 94 T HA -0.051 4.299 4.350 -0.001 0.000 0.266 94 T C 2.097 176.749 174.700 -0.079 0.000 1.040 94 T CA 1.327 63.308 62.100 -0.197 0.000 1.141 94 T CB -0.597 68.025 68.868 -0.411 0.000 0.868 94 T HN 0.422 nan 8.240 nan 0.000 0.444 95 V N 0.104 119.996 119.914 -0.038 0.000 2.626 95 V HA -0.068 4.051 4.120 -0.001 0.000 0.252 95 V C 2.193 178.365 176.094 0.129 0.000 1.067 95 V CA 1.532 63.876 62.300 0.073 0.000 1.081 95 V CB -0.692 31.216 31.823 0.141 0.000 0.686 95 V HN 0.314 nan 8.190 nan 0.000 0.468 96 M N 0.746 120.438 119.600 0.153 0.000 2.296 96 M HA -0.015 4.465 4.480 -0.001 0.000 0.265 96 M C 1.866 178.219 176.300 0.087 0.000 1.064 96 M CA 1.593 56.982 55.300 0.149 0.000 1.109 96 M CB -0.617 32.085 32.600 0.169 0.000 1.396 96 M HN 0.464 nan 8.290 nan 0.000 0.430 97 E N -0.367 119.870 120.200 0.061 0.000 2.505 97 E HA -0.100 4.249 4.350 -0.001 0.000 0.197 97 E C 1.219 177.852 176.600 0.056 0.000 1.111 97 E CA -0.027 56.403 56.400 0.050 0.000 0.887 97 E CB -0.135 29.587 29.700 0.037 0.000 0.913 97 E HN 0.308 nan 8.360 nan 0.000 0.517 98 L N 0.273 121.531 121.223 0.059 0.000 2.156 98 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 98 L C 0.866 177.763 176.870 0.045 0.000 1.095 98 L CA 1.109 55.982 54.840 0.055 0.000 0.770 98 L CB -0.214 41.881 42.059 0.059 0.000 0.914 98 L HN 0.126 nan 8.230 nan 0.000 0.439 99 L N 0.939 122.185 121.223 0.038 0.000 2.315 99 L HA 0.109 4.448 4.340 -0.001 0.000 0.283 99 L C -0.126 176.752 176.870 0.013 0.000 1.089 99 L CA -0.808 54.042 54.840 0.016 0.000 0.833 99 L CB 0.102 42.157 42.059 -0.006 0.000 1.170 99 L HN 0.038 nan 8.230 nan 0.000 0.442 100 D N 2.750 123.156 120.400 0.010 0.000 2.629 100 D HA 0.053 4.693 4.640 -0.001 0.000 0.228 100 D C 0.490 176.786 176.300 -0.006 0.000 1.127 100 D CA 0.440 54.444 54.000 0.006 0.000 0.855 100 D CB 0.680 41.480 40.800 0.001 0.000 1.180 100 D HN 0.631 nan 8.370 nan 0.000 0.484 101 A N 1.880 124.699 122.820 -0.002 0.000 2.567 101 A HA 0.442 4.761 4.320 -0.001 0.000 0.240 101 A C 1.594 179.165 177.584 -0.023 0.000 1.053 101 A CA 0.587 52.619 52.037 -0.009 0.000 0.755 101 A CB -0.187 18.814 19.000 0.001 0.000 0.978 101 A HN 0.995 nan 8.150 nan 0.000 0.507 102 G N 1.633 110.409 108.800 -0.041 0.000 2.213 102 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.226 102 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.226 102 G C 0.548 175.407 174.900 -0.067 0.000 0.992 102 G CA 0.251 45.321 45.100 -0.050 0.000 0.632 102 G HN 1.283 nan 8.290 nan 0.000 0.511 103 S N 1.212 116.867 115.700 -0.076 0.000 2.563 103 S HA 0.344 4.813 4.470 -0.001 0.000 0.284 103 S C 0.298 174.810 174.600 -0.146 0.000 1.331 103 S CA -0.062 58.088 58.200 -0.083 0.000 1.047 103 S CB 0.682 63.832 63.200 -0.082 0.000 0.859 103 S HN 0.513 nan 8.310 nan 0.000 0.514 104 H N 1.256 120.202 119.070 -0.205 0.000 2.483 104 H HA 0.579 5.134 4.556 -0.001 0.000 0.338 104 H C -1.301 173.877 175.328 -0.250 0.000 1.152 104 H CA -0.524 55.361 56.048 -0.273 0.000 1.264 104 H CB 0.885 30.549 29.762 -0.164 0.000 1.510 104 H HN 0.324 nan 8.280 nan 0.000 0.530 105 V N 5.430 124.734 119.914 -1.017 0.000 2.623 105 V HA 0.131 4.251 4.120 -0.001 0.000 0.304 105 V C -0.361 175.412 176.094 -0.536 0.000 1.054 105 V CA -0.803 61.132 62.300 -0.608 0.000 0.882 105 V CB 1.813 33.370 31.823 -0.444 0.000 1.002 105 V HN 0.535 nan 8.190 nan 0.000 0.424 106 V N 3.755 123.544 119.914 -0.209 0.000 2.607 106 V HA 0.874 4.993 4.120 -0.001 0.000 0.289 106 V C 0.438 176.624 176.094 0.153 0.000 1.053 106 V CA -0.091 62.233 62.300 0.039 0.000 0.996 106 V CB 1.378 33.350 31.823 0.250 0.000 0.995 106 V HN 1.053 nan 8.190 nan 0.000 0.476 107 A N 4.426 127.413 122.820 0.278 0.000 2.520 107 A HA 0.755 5.075 4.320 -0.001 0.000 0.298 107 A C -0.636 177.166 177.584 0.363 0.000 1.051 107 A CA -0.905 51.364 52.037 0.388 0.000 0.690 107 A CB 1.397 20.714 19.000 0.529 0.000 1.281 107 A HN 0.830 nan 8.150 nan 0.000 0.402 108 M N 3.002 122.769 119.600 0.277 0.000 2.501 108 M HA 0.011 4.490 4.480 -0.001 0.000 0.363 108 M C 1.378 177.748 176.300 0.116 0.000 1.708 108 M CA 0.224 55.625 55.300 0.168 0.000 1.078 108 M CB -0.153 32.532 32.600 0.141 0.000 2.107 108 M HN 0.797 nan 8.290 nan 0.000 0.466 109 D N 2.412 122.891 120.400 0.131 0.000 2.228 109 D HA -0.237 4.402 4.640 -0.001 0.000 0.203 109 D C 0.094 176.360 176.300 -0.057 0.000 0.988 109 D CA 1.237 55.286 54.000 0.081 0.000 0.864 109 D CB -0.324 40.555 40.800 0.133 0.000 0.928 109 D HN 0.634 nan 8.370 nan 0.000 0.469 110 D N 0.413 120.798 120.400 -0.025 0.000 2.767 110 D HA 0.155 4.795 4.640 -0.001 0.000 0.241 110 D C -0.637 175.636 176.300 -0.045 0.000 1.187 110 D CA -0.614 53.365 54.000 -0.036 0.000 0.999 110 D CB -0.426 40.377 40.800 0.005 0.000 1.042 110 D HN 0.035 nan 8.370 nan 0.000 0.510 111 L N 2.619 123.752 121.223 -0.151 0.000 2.399 111 L HA 0.287 4.626 4.340 -0.001 0.000 0.266 111 L C -0.615 176.191 176.870 -0.107 0.000 1.114 111 L CA -0.811 53.947 54.840 -0.136 0.000 0.804 111 L CB 0.883 42.773 42.059 -0.282 0.000 1.146 111 L HN 0.182 nan 8.230 nan 0.000 0.451 112 Y N 3.254 123.471 120.300 -0.138 0.000 2.637 112 Y HA 0.279 4.829 4.550 -0.001 0.000 0.350 112 Y C 1.387 177.177 175.900 -0.184 0.000 1.069 112 Y CA 0.186 58.209 58.100 -0.128 0.000 1.397 112 Y CB 0.592 39.011 38.460 -0.069 0.000 1.163 112 Y HN 0.825 nan 8.280 nan 0.000 0.527 113 G N 4.709 113.106 108.800 -0.672 0.000 2.728 113 G HA2 -0.450 3.509 3.960 -0.001 0.000 0.224 113 G HA3 -0.450 3.509 3.960 -0.001 0.000 0.224 113 G C 1.632 176.151 174.900 -0.636 0.000 1.123 113 G CA 1.233 45.971 45.100 -0.603 0.000 0.755 113 G HN 0.975 nan 8.290 nan 0.000 0.622 114 G N -0.072 108.004 108.800 -1.207 0.000 2.514 114 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 114 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 114 G C 1.956 176.557 174.900 -0.498 0.000 1.198 114 G CA 2.438 47.089 45.100 -0.750 0.000 0.780 114 G HN 0.826 nan 8.290 nan 0.000 0.565 115 T N -1.566 112.685 114.554 -0.505 0.000 3.072 115 T HA -0.004 4.345 4.350 -0.001 0.000 0.266 115 T C 1.946 176.036 174.700 -1.016 0.000 1.127 115 T CA 1.132 62.764 62.100 -0.780 0.000 1.107 115 T CB -0.261 68.136 68.868 -0.785 0.000 0.910 115 T HN 0.139 nan 8.240 nan 0.000 0.513 116 F N 2.087 121.584 119.950 -0.755 0.000 2.039 116 F HA 0.197 4.723 4.527 -0.001 0.000 0.294 116 F C 2.551 178.088 175.800 -0.439 0.000 1.130 116 F CA 1.222 58.875 58.000 -0.578 0.000 1.189 116 F CB -0.591 38.117 39.000 -0.488 0.000 0.983 116 F HN 0.014 nan 8.300 nan 0.000 0.471 117 R N -0.015 120.249 120.500 -0.393 0.000 2.159 117 R HA -0.279 4.060 4.340 -0.001 0.000 0.252 117 R C 2.235 178.312 176.300 -0.372 0.000 1.144 117 R CA 2.278 58.153 56.100 -0.374 0.000 0.961 117 R CB -1.002 29.150 30.300 -0.247 0.000 0.877 117 R HN 0.480 nan 8.270 nan 0.000 0.444 118 L N -0.169 120.802 121.223 -0.420 0.000 1.976 118 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 118 L C 1.733 178.454 176.870 -0.248 0.000 1.071 118 L CA 1.763 56.405 54.840 -0.330 0.000 0.746 118 L CB -0.520 41.319 42.059 -0.368 0.000 0.890 118 L HN 0.009 nan 8.230 nan 0.000 0.432 119 F N 0.385 120.044 119.950 -0.484 0.000 1.990 119 F HA -0.147 4.379 4.527 -0.001 0.000 0.294 119 F C 2.658 178.089 175.800 -0.615 0.000 1.177 119 F CA 1.302 58.810 58.000 -0.821 0.000 1.167 119 F CB -1.528 36.572 39.000 -1.499 0.000 0.971 119 F HN 0.087 nan 8.300 nan 0.000 0.483 120 E N 0.609 120.579 120.200 -0.383 0.000 2.012 120 E HA -0.237 4.112 4.350 -0.001 0.000 0.211 120 E C 2.367 178.854 176.600 -0.189 0.000 1.029 120 E CA 1.693 57.927 56.400 -0.278 0.000 0.867 120 E CB -0.614 28.780 29.700 -0.510 0.000 0.790 120 E HN 0.317 nan 8.360 nan 0.000 0.482 121 R N -0.064 120.278 120.500 -0.264 0.000 2.081 121 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 121 R C 2.493 178.739 176.300 -0.090 0.000 1.131 121 R CA 1.393 57.395 56.100 -0.164 0.000 0.960 121 R CB -0.238 29.954 30.300 -0.180 0.000 0.856 121 R HN 0.061 nan 8.270 nan 0.000 0.436 122 V N 0.139 120.001 119.914 -0.086 0.000 2.436 122 V HA -0.045 4.074 4.120 -0.001 0.000 0.240 122 V C 2.138 178.245 176.094 0.022 0.000 1.040 122 V CA 1.140 63.420 62.300 -0.033 0.000 1.052 122 V CB -0.251 31.547 31.823 -0.041 0.000 0.707 122 V HN 0.173 nan 8.190 nan 0.000 0.469 123 R N -0.024 120.517 120.500 0.068 0.000 2.193 123 R HA 0.061 4.400 4.340 -0.001 0.000 0.213 123 R C 2.263 178.673 176.300 0.184 0.000 1.055 123 R CA 0.511 56.700 56.100 0.148 0.000 0.995 123 R CB -0.485 29.960 30.300 0.243 0.000 0.893 123 R HN 0.376 nan 8.270 nan 0.000 0.459 124 R N 0.635 121.259 120.500 0.206 0.000 2.094 124 R HA -0.138 4.201 4.340 -0.001 0.000 0.239 124 R C 2.350 178.694 176.300 0.074 0.000 1.137 124 R CA 1.984 58.179 56.100 0.157 0.000 0.943 124 R CB -0.184 30.191 30.300 0.125 0.000 0.850 124 R HN 0.061 nan 8.270 nan 0.000 0.433 125 R N -0.930 119.599 120.500 0.050 0.000 2.073 125 R HA -0.059 4.280 4.340 -0.001 0.000 0.229 125 R C 1.855 178.172 176.300 0.028 0.000 1.120 125 R CA 1.884 58.001 56.100 0.029 0.000 0.967 125 R CB -0.075 30.234 30.300 0.015 0.000 0.862 125 R HN 0.257 nan 8.270 nan 0.000 0.436 126 T N -0.478 114.096 114.554 0.034 0.000 2.821 126 T HA -0.045 4.304 4.350 -0.001 0.000 0.267 126 T C 1.367 176.086 174.700 0.031 0.000 1.046 126 T CA 1.394 63.512 62.100 0.030 0.000 1.139 126 T CB 0.076 68.965 68.868 0.034 0.000 0.871 126 T HN 0.387 nan 8.240 nan 0.000 0.454 127 A N -0.243 122.600 122.820 0.039 0.000 2.600 127 A HA 0.616 4.936 4.320 -0.001 0.000 0.252 127 A C 1.376 178.967 177.584 0.012 0.000 1.200 127 A CA 0.430 52.483 52.037 0.027 0.000 0.981 127 A CB -0.032 18.988 19.000 0.034 0.000 1.207 127 A HN 0.682 nan 8.150 nan 0.000 0.577 128 G N 0.542 109.355 108.800 0.021 0.000 2.350 128 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.298 128 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.298 128 G C -0.086 174.795 174.900 -0.031 0.000 1.037 128 G CA 0.619 45.722 45.100 0.005 0.000 1.074 128 G HN 0.525 nan 8.290 nan 0.000 0.511 129 L N -0.116 121.087 121.223 -0.034 0.000 2.357 129 L HA 0.640 4.979 4.340 -0.001 0.000 0.273 129 L C 0.220 176.912 176.870 -0.296 0.000 1.080 129 L CA -0.889 53.821 54.840 -0.217 0.000 0.803 129 L CB 1.508 43.406 42.059 -0.268 0.000 1.174 129 L HN 0.308 nan 8.230 nan 0.000 0.443 130 D N 1.088 121.207 120.400 -0.469 0.000 2.342 130 D HA 0.589 5.229 4.640 -0.001 0.000 0.243 130 D C -1.441 174.527 176.300 -0.553 0.000 1.019 130 D CA -0.187 53.642 54.000 -0.285 0.000 0.864 130 D CB 1.385 42.141 40.800 -0.073 0.000 1.315 130 D HN 0.119 nan 8.370 nan 0.000 0.468 131 F N 0.709 120.639 119.950 -0.033 0.000 2.569 131 F HA 0.477 5.003 4.527 -0.001 0.000 0.312 131 F C -0.166 175.483 175.800 -0.253 0.000 1.109 131 F CA -0.864 57.014 58.000 -0.203 0.000 0.919 131 F CB 2.446 41.279 39.000 -0.278 0.000 1.211 131 F HN 0.113 nan 8.300 nan 0.000 0.446 132 S N 2.324 118.030 115.700 0.011 0.000 2.519 132 S HA 0.666 5.136 4.470 -0.001 0.000 0.309 132 S C -1.238 173.363 174.600 0.002 0.000 1.100 132 S CA -0.677 57.505 58.200 -0.029 0.000 1.059 132 S CB 0.781 64.106 63.200 0.207 0.000 1.008 132 S HN 0.281 nan 8.310 nan 0.000 0.478 133 F N 1.837 121.913 119.950 0.210 0.000 2.411 133 F HA 0.599 5.126 4.527 -0.001 0.000 0.350 133 F C 0.114 175.999 175.800 0.141 0.000 1.114 133 F CA -1.270 56.835 58.000 0.176 0.000 1.135 133 F CB 0.675 39.776 39.000 0.169 0.000 1.120 133 F HN 0.234 nan 8.300 nan 0.000 0.495 134 V N 1.424 121.529 119.914 0.319 0.000 2.789 134 V HA 0.231 4.350 4.120 -0.001 0.000 0.311 134 V C -0.712 175.478 176.094 0.159 0.000 1.073 134 V CA -1.236 61.193 62.300 0.214 0.000 0.921 134 V CB 2.188 34.138 31.823 0.211 0.000 1.009 134 V HN 0.609 nan 8.190 nan 0.000 0.426 135 D N 2.701 123.175 120.400 0.123 0.000 2.385 135 D HA 0.139 4.778 4.640 -0.001 0.000 0.260 135 D C 0.948 177.293 176.300 0.075 0.000 1.326 135 D CA 0.243 54.294 54.000 0.085 0.000 1.023 135 D CB 0.310 41.152 40.800 0.070 0.000 1.083 135 D HN 0.520 nan 8.370 nan 0.000 0.517 136 L N 2.747 124.000 121.223 0.050 0.000 2.551 136 L HA -0.068 4.272 4.340 -0.001 0.000 0.228 136 L C 2.110 178.989 176.870 0.016 0.000 1.153 136 L CA 0.332 55.178 54.840 0.012 0.000 0.851 136 L CB -0.430 41.587 42.059 -0.070 0.000 0.959 136 L HN 0.447 nan 8.230 nan 0.000 0.451 137 T N -1.244 113.327 114.554 0.029 0.000 2.685 137 T HA -0.240 4.110 4.350 -0.001 0.000 0.268 137 T C 0.961 175.687 174.700 0.043 0.000 1.034 137 T CA 1.331 63.451 62.100 0.033 0.000 1.149 137 T CB -0.203 68.686 68.868 0.035 0.000 0.860 137 T HN 0.298 nan 8.240 nan 0.000 0.449 138 D N 1.195 121.630 120.400 0.058 0.000 2.443 138 D HA 0.168 4.808 4.640 -0.001 0.000 0.221 138 D C -2.039 174.320 176.300 0.099 0.000 1.097 138 D CA -2.311 51.729 54.000 0.068 0.000 0.865 138 D CB 1.672 42.512 40.800 0.066 0.000 1.034 138 D HN 0.016 nan 8.370 nan 0.000 0.511 139 P HA -0.136 nan 4.420 nan 0.000 0.218 139 P C 1.011 178.405 177.300 0.156 0.000 1.146 139 P CA 0.993 64.188 63.100 0.160 0.000 0.813 139 P CB 0.326 32.098 31.700 0.120 0.000 0.778 140 A N 0.070 122.949 122.820 0.097 0.000 1.898 140 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 140 A C 2.324 179.953 177.584 0.074 0.000 1.181 140 A CA 1.784 53.860 52.037 0.065 0.000 0.620 140 A CB -1.543 17.485 19.000 0.047 0.000 0.819 140 A HN 0.185 nan 8.150 nan 0.000 0.442 141 A N -0.951 121.930 122.820 0.101 0.000 1.986 141 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 141 A C 2.003 179.693 177.584 0.177 0.000 1.171 141 A CA 1.890 53.999 52.037 0.120 0.000 0.640 141 A CB -0.698 18.375 19.000 0.122 0.000 0.811 141 A HN 0.753 nan 8.150 nan 0.000 0.451 142 F N 0.537 120.506 119.950 0.031 0.000 2.128 142 F HA -0.012 4.515 4.527 -0.001 0.000 0.295 142 F C 2.028 177.831 175.800 0.004 0.000 1.100 142 F CA 1.699 59.714 58.000 0.024 0.000 1.260 142 F CB -0.536 38.470 39.000 0.009 0.000 1.009 142 F HN 0.123 nan 8.300 nan 0.000 0.476 143 K N 0.425 120.679 120.400 -0.243 0.000 2.044 143 K HA -0.201 4.118 4.320 -0.001 0.000 0.210 143 K C 2.307 178.814 176.600 -0.156 0.000 1.049 143 K CA 1.485 57.573 56.287 -0.332 0.000 0.927 143 K CB -0.720 31.683 32.500 -0.161 0.000 0.713 143 K HN 0.354 nan 8.250 nan 0.000 0.443 144 A N 1.470 124.263 122.820 -0.046 0.000 1.892 144 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 144 A C 2.292 179.886 177.584 0.017 0.000 1.188 144 A CA 2.195 54.233 52.037 0.001 0.000 0.631 144 A CB -0.711 18.308 19.000 0.032 0.000 0.822 144 A HN 0.394 nan 8.150 nan 0.000 0.447 145 A N -1.029 121.826 122.820 0.058 0.000 2.206 145 A HA 0.303 4.623 4.320 -0.001 0.000 0.211 145 A C 0.839 178.496 177.584 0.122 0.000 1.158 145 A CA 0.030 52.137 52.037 0.115 0.000 0.761 145 A CB -0.506 18.622 19.000 0.213 0.000 0.801 145 A HN 0.445 nan 8.150 nan 0.000 0.473 146 I N 1.636 122.213 120.570 0.012 0.000 2.471 146 I HA 0.054 4.223 4.170 -0.001 0.000 0.294 146 I C 0.932 177.080 176.117 0.051 0.000 1.123 146 I CA -0.055 61.263 61.300 0.030 0.000 1.336 146 I CB 0.149 38.076 38.000 -0.122 0.000 1.430 146 I HN 0.281 nan 8.210 nan 0.000 0.533 147 R N 3.751 124.281 120.500 0.051 0.000 2.650 147 R HA 0.477 4.816 4.340 -0.001 0.000 0.232 147 R C 1.351 177.658 176.300 0.010 0.000 1.247 147 R CA 0.110 56.189 56.100 -0.034 0.000 1.061 147 R CB 0.171 30.357 30.300 -0.191 0.000 1.279 147 R HN 0.660 nan 8.270 nan 0.000 0.549 148 A N -0.003 122.804 122.820 -0.022 0.000 1.997 148 A HA -0.003 4.317 4.320 -0.001 0.000 0.212 148 A C 0.978 178.564 177.584 0.003 0.000 1.178 148 A CA 0.664 52.695 52.037 -0.011 0.000 0.698 148 A CB 0.022 19.004 19.000 -0.029 0.000 0.842 148 A HN 0.556 nan 8.150 nan 0.000 0.458 149 D N 0.871 121.267 120.400 -0.007 0.000 2.371 149 D HA 0.024 4.663 4.640 -0.001 0.000 0.234 149 D C -0.044 176.302 176.300 0.077 0.000 1.049 149 D CA 0.574 54.580 54.000 0.010 0.000 0.907 149 D CB -0.220 40.566 40.800 -0.023 0.000 0.891 149 D HN 0.233 nan 8.370 nan 0.000 0.531 150 T N 0.075 114.702 114.554 0.122 0.000 2.869 150 T HA 0.186 4.535 4.350 -0.001 0.000 0.295 150 T C 1.242 175.990 174.700 0.079 0.000 0.987 150 T CA -0.017 62.187 62.100 0.173 0.000 1.109 150 T CB 1.863 70.880 68.868 0.249 0.000 0.932 150 T HN -0.159 nan 8.240 nan 0.000 0.518 151 K N 1.559 121.978 120.400 0.032 0.000 2.558 151 K HA 0.434 4.753 4.320 -0.001 0.000 0.215 151 K C -0.368 176.254 176.600 0.037 0.000 1.298 151 K CA 0.011 56.314 56.287 0.027 0.000 1.008 151 K CB 0.718 33.219 32.500 0.001 0.000 1.073 151 K HN 0.588 nan 8.250 nan 0.000 0.606 152 M N 1.110 120.731 119.600 0.036 0.000 2.366 152 M HA 0.220 4.699 4.480 -0.001 0.000 0.287 152 M C -1.753 174.593 176.300 0.077 0.000 1.083 152 M CA -0.785 54.551 55.300 0.060 0.000 0.934 152 M CB 1.538 34.172 32.600 0.056 0.000 1.852 152 M HN -0.184 nan 8.290 nan 0.000 0.502 153 V N 2.356 122.322 119.914 0.086 0.000 2.481 153 V HA 0.538 4.657 4.120 -0.001 0.000 0.286 153 V C -0.839 175.314 176.094 0.099 0.000 1.042 153 V CA -0.467 61.854 62.300 0.034 0.000 0.928 153 V CB 1.663 33.380 31.823 -0.176 0.000 0.986 153 V HN 0.873 nan 8.190 nan 0.000 0.462 154 W N 5.889 127.167 121.300 -0.036 0.000 2.318 154 W HA 0.641 5.300 4.660 -0.001 0.000 0.315 154 W C -1.182 175.334 176.519 -0.005 0.000 1.033 154 W CA -0.902 56.458 57.345 0.024 0.000 1.275 154 W CB 1.351 30.893 29.460 0.138 0.000 1.250 154 W HN 0.542 nan 8.180 nan 0.000 0.421 155 I N 4.130 124.591 120.570 -0.182 0.000 2.577 155 I HA 0.371 4.540 4.170 -0.001 0.000 0.305 155 I C -0.298 175.736 176.117 -0.138 0.000 0.986 155 I CA -0.662 60.561 61.300 -0.128 0.000 1.189 155 I CB 2.178 40.069 38.000 -0.180 0.000 1.355 155 I HN 0.341 nan 8.210 nan 0.000 0.476 156 E N 2.823 122.994 120.200 -0.048 0.000 2.287 156 E HA 0.457 4.806 4.350 -0.001 0.000 0.274 156 E C -1.459 175.084 176.600 -0.093 0.000 0.896 156 E CA -0.390 55.969 56.400 -0.067 0.000 0.788 156 E CB 2.009 31.722 29.700 0.021 0.000 1.244 156 E HN 0.624 nan 8.360 nan 0.000 0.408 157 T N 4.248 118.727 114.554 -0.124 0.000 3.291 157 T HA 0.413 4.762 4.350 -0.001 0.000 0.344 157 T C -2.820 171.846 174.700 -0.057 0.000 1.293 157 T CA -1.249 60.802 62.100 -0.082 0.000 1.108 157 T CB 1.367 70.204 68.868 -0.053 0.000 1.231 157 T HN 0.231 nan 8.240 nan 0.000 0.474 158 P HA 0.323 nan 4.420 nan 0.000 0.285 158 P C -0.399 176.856 177.300 -0.075 0.000 1.282 158 P CA -0.127 62.986 63.100 0.022 0.000 0.778 158 P CB 0.326 32.100 31.700 0.124 0.000 1.222 159 T N -3.219 111.329 114.554 -0.010 0.000 2.924 159 T HA 0.521 4.870 4.350 -0.001 0.000 0.291 159 T C -0.633 174.101 174.700 0.056 0.000 1.045 159 T CA -0.825 61.221 62.100 -0.090 0.000 1.015 159 T CB 1.068 69.929 68.868 -0.011 0.000 1.103 159 T HN 0.210 nan 8.240 nan 0.000 0.496 160 N N 2.073 120.801 118.700 0.047 0.000 2.408 160 N HA 0.518 5.258 4.740 -0.001 0.000 0.280 160 N C -2.154 173.502 175.510 0.244 0.000 1.002 160 N CA -2.288 50.962 53.050 0.333 0.000 0.907 160 N CB 1.677 40.463 38.487 0.498 0.000 1.161 160 N HN 0.435 nan 8.380 nan 0.000 0.488 161 P HA 0.172 nan 4.420 nan 0.000 0.266 161 P C 0.308 177.683 177.300 0.125 0.000 1.561 161 P CA -0.028 63.178 63.100 0.177 0.000 1.089 161 P CB 0.409 32.159 31.700 0.083 0.000 1.534 162 M N -0.720 118.938 119.600 0.097 0.000 2.447 162 M HA 0.125 4.604 4.480 -0.001 0.000 0.264 162 M C 0.593 176.973 176.300 0.133 0.000 1.095 162 M CA 0.129 55.472 55.300 0.071 0.000 1.125 162 M CB -1.111 31.505 32.600 0.025 0.000 1.389 162 M HN -0.134 nan 8.290 nan 0.000 0.459 163 L N -0.267 121.061 121.223 0.175 0.000 4.291 163 L HA -0.243 4.097 4.340 -0.001 0.000 0.413 163 L C 0.360 177.368 176.870 0.231 0.000 1.162 163 L CA 0.617 55.588 54.840 0.218 0.000 0.961 163 L CB -2.326 39.892 42.059 0.265 0.000 2.095 163 L HN 0.278 nan 8.230 nan 0.000 0.838 164 K N -0.172 120.318 120.400 0.150 0.000 2.469 164 K HA 0.304 4.624 4.320 -0.001 0.000 0.274 164 K C 0.043 176.702 176.600 0.099 0.000 0.983 164 K CA -0.150 56.212 56.287 0.125 0.000 0.974 164 K CB 0.412 32.948 32.500 0.061 0.000 0.913 164 K HN -0.004 nan 8.250 nan 0.000 0.493 165 L N 2.352 123.632 121.223 0.096 0.000 2.346 165 L HA 0.346 4.685 4.340 -0.001 0.000 0.276 165 L C -0.620 176.263 176.870 0.023 0.000 1.006 165 L CA -0.559 54.305 54.840 0.040 0.000 0.817 165 L CB 1.744 43.817 42.059 0.024 0.000 1.272 165 L HN 0.330 nan 8.230 nan 0.000 0.421 166 V N 1.779 121.691 119.914 -0.003 0.000 2.435 166 V HA 0.393 4.512 4.120 -0.001 0.000 0.290 166 V C -0.104 175.977 176.094 -0.022 0.000 1.030 166 V CA -0.580 61.711 62.300 -0.014 0.000 0.881 166 V CB 1.629 33.431 31.823 -0.034 0.000 0.983 166 V HN 0.779 nan 8.190 nan 0.000 0.445 167 D N 5.314 125.707 120.400 -0.012 0.000 2.422 167 D HA 0.043 4.683 4.640 -0.001 0.000 0.263 167 D C 1.421 177.707 176.300 -0.023 0.000 1.334 167 D CA 0.527 54.521 54.000 -0.010 0.000 1.105 167 D CB 0.265 41.068 40.800 0.004 0.000 1.107 167 D HN 0.702 nan 8.370 nan 0.000 0.522 168 I N 2.255 122.804 120.570 -0.034 0.000 2.143 168 I HA -0.379 3.790 4.170 -0.001 0.000 0.245 168 I C 2.357 178.455 176.117 -0.031 0.000 1.068 168 I CA 1.645 62.916 61.300 -0.047 0.000 1.326 168 I CB -0.091 37.878 38.000 -0.052 0.000 1.028 168 I HN 0.367 nan 8.210 nan 0.000 0.412 169 A N 0.139 122.950 122.820 -0.015 0.000 1.930 169 A HA 0.066 4.386 4.320 -0.001 0.000 0.215 169 A C 2.482 180.074 177.584 0.012 0.000 1.176 169 A CA 1.234 53.269 52.037 -0.003 0.000 0.632 169 A CB -0.714 18.286 19.000 -0.001 0.000 0.819 169 A HN 0.404 nan 8.150 nan 0.000 0.445 170 A N 0.923 123.752 122.820 0.015 0.000 1.837 170 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 170 A C 1.976 179.595 177.584 0.058 0.000 1.210 170 A CA 1.769 53.826 52.037 0.034 0.000 0.632 170 A CB -0.828 18.192 19.000 0.033 0.000 0.843 170 A HN 0.383 nan 8.150 nan 0.000 0.448 171 I N 0.051 120.646 120.570 0.041 0.000 2.143 171 I HA -0.354 3.815 4.170 -0.001 0.000 0.245 171 I C 2.871 179.041 176.117 0.090 0.000 1.068 171 I CA 1.939 63.266 61.300 0.046 0.000 1.326 171 I CB -1.628 36.278 38.000 -0.158 0.000 1.028 171 I HN 0.423 nan 8.210 nan 0.000 0.412 172 A N -0.022 122.814 122.820 0.027 0.000 2.070 172 A HA -0.115 4.205 4.320 -0.001 0.000 0.220 172 A C 2.569 180.193 177.584 0.066 0.000 1.159 172 A CA 1.532 53.591 52.037 0.037 0.000 0.656 172 A CB -0.767 18.234 19.000 0.003 0.000 0.800 172 A HN 0.300 nan 8.150 nan 0.000 0.453 173 V N 0.033 119.987 119.914 0.067 0.000 2.302 173 V HA -0.176 3.943 4.120 -0.001 0.000 0.243 173 V C 2.266 178.402 176.094 0.071 0.000 1.036 173 V CA 1.964 64.300 62.300 0.060 0.000 1.020 173 V CB -0.410 31.440 31.823 0.045 0.000 0.657 173 V HN 0.582 nan 8.190 nan 0.000 0.453 174 I N 1.000 121.621 120.570 0.085 0.000 2.113 174 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 174 I C 2.705 178.815 176.117 -0.011 0.000 1.064 174 I CA 2.010 63.313 61.300 0.006 0.000 1.320 174 I CB -0.762 37.251 38.000 0.022 0.000 1.028 174 I HN 0.378 nan 8.210 nan 0.000 0.406 175 A N 0.057 122.997 122.820 0.199 0.000 2.019 175 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 175 A C 2.446 180.104 177.584 0.124 0.000 1.164 175 A CA 1.640 53.805 52.037 0.214 0.000 0.644 175 A CB -0.558 18.606 19.000 0.273 0.000 0.805 175 A HN 0.407 nan 8.150 nan 0.000 0.449 176 R N -0.873 119.686 120.500 0.099 0.000 2.265 176 R HA 0.085 4.424 4.340 -0.001 0.000 0.194 176 R C 1.949 178.309 176.300 0.099 0.000 0.931 176 R CA 0.731 56.883 56.100 0.087 0.000 1.032 176 R CB -0.109 30.228 30.300 0.062 0.000 0.980 176 R HN 0.481 nan 8.270 nan 0.000 0.497 177 K N -0.200 120.272 120.400 0.120 0.000 2.074 177 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 177 K C 0.594 177.367 176.600 0.287 0.000 1.048 177 K CA 1.664 58.062 56.287 0.184 0.000 0.926 177 K CB 0.020 32.646 32.500 0.210 0.000 0.713 177 K HN 0.261 nan 8.250 nan 0.000 0.444 178 H N -1.337 117.730 119.070 -0.005 0.000 2.537 178 H HA 0.269 4.825 4.556 -0.001 0.000 0.295 178 H C 0.532 175.866 175.328 0.010 0.000 1.054 178 H CA 0.080 56.120 56.048 -0.013 0.000 1.156 178 H CB 0.463 30.197 29.762 -0.048 0.000 1.468 178 H HN 0.448 nan 8.280 nan 0.000 0.551 179 G N 0.895 109.772 108.800 0.129 0.000 2.249 179 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.273 179 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.273 179 G C -0.100 174.851 174.900 0.084 0.000 1.036 179 G CA 0.090 45.240 45.100 0.083 0.000 0.824 179 G HN 0.366 nan 8.290 nan 0.000 0.504 180 L N -0.015 121.271 121.223 0.105 0.000 2.307 180 L HA 0.512 4.851 4.340 -0.001 0.000 0.282 180 L C 1.210 178.127 176.870 0.079 0.000 1.051 180 L CA -1.150 53.752 54.840 0.103 0.000 0.804 180 L CB 1.224 43.377 42.059 0.158 0.000 1.197 180 L HN 0.012 nan 8.230 nan 0.000 0.431 181 L N 2.357 123.617 121.223 0.062 0.000 2.513 181 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 181 L C 0.838 177.730 176.870 0.036 0.000 1.187 181 L CA 0.348 55.215 54.840 0.045 0.000 0.895 181 L CB 0.278 42.362 42.059 0.043 0.000 1.147 181 L HN 0.646 nan 8.230 nan 0.000 0.483 182 T N 3.052 117.611 114.554 0.008 0.000 2.875 182 T HA 0.630 4.980 4.350 -0.001 0.000 0.284 182 T C -0.467 174.177 174.700 -0.093 0.000 0.995 182 T CA -0.566 61.511 62.100 -0.038 0.000 1.060 182 T CB 1.297 70.140 68.868 -0.041 0.000 0.967 182 T HN 0.266 nan 8.240 nan 0.000 0.476 183 V N 4.530 124.332 119.914 -0.186 0.000 2.709 183 V HA 0.624 4.744 4.120 -0.001 0.000 0.308 183 V C -0.657 175.140 176.094 -0.495 0.000 1.062 183 V CA -0.764 61.323 62.300 -0.355 0.000 0.901 183 V CB 2.205 33.705 31.823 -0.538 0.000 1.003 183 V HN 0.888 nan 8.190 nan 0.000 0.425 184 V N 2.735 122.382 119.914 -0.446 0.000 2.487 184 V HA 0.419 4.538 4.120 -0.001 0.000 0.298 184 V C -0.364 175.464 176.094 -0.445 0.000 1.028 184 V CA -0.644 61.408 62.300 -0.414 0.000 0.860 184 V CB 1.986 33.663 31.823 -0.245 0.000 0.991 184 V HN 0.910 nan 8.190 nan 0.000 0.427 185 D N 3.663 123.804 120.400 -0.431 0.000 2.374 185 D HA 0.078 4.717 4.640 -0.001 0.000 0.240 185 D C 0.326 176.471 176.300 -0.259 0.000 1.229 185 D CA -0.009 53.815 54.000 -0.292 0.000 0.895 185 D CB 0.777 41.517 40.800 -0.101 0.000 1.046 185 D HN 0.558 nan 8.370 nan 0.000 0.498 186 N N 2.260 120.735 118.700 -0.376 0.000 2.313 186 N HA 0.002 4.741 4.740 -0.001 0.000 0.207 186 N C 1.105 176.525 175.510 -0.149 0.000 1.141 186 N CA 0.013 52.879 53.050 -0.306 0.000 0.830 186 N CB 0.357 38.634 38.487 -0.350 0.000 1.008 186 N HN 0.264 nan 8.380 nan 0.000 0.481 187 T N -0.133 114.386 114.554 -0.058 0.000 2.635 187 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 187 T C 1.167 176.189 174.700 0.537 0.000 1.040 187 T CA 1.227 63.500 62.100 0.288 0.000 1.156 187 T CB -0.272 68.738 68.868 0.237 0.000 0.863 187 T HN 0.187 nan 8.240 nan 0.000 0.430 188 F N 1.548 121.581 119.950 0.138 0.000 2.163 188 F HA 0.334 4.860 4.527 -0.001 0.000 0.297 188 F C 1.695 177.470 175.800 -0.041 0.000 1.094 188 F CA -0.546 57.559 58.000 0.175 0.000 1.290 188 F CB -0.855 38.218 39.000 0.121 0.000 1.017 188 F HN 0.058 nan 8.300 nan 0.000 0.483 189 A N 0.536 123.464 122.820 0.180 0.000 2.280 189 A HA 0.508 4.828 4.320 -0.001 0.000 0.320 189 A C 0.520 178.132 177.584 0.047 0.000 1.366 189 A CA -0.336 51.712 52.037 0.019 0.000 0.938 189 A CB -0.268 18.752 19.000 0.034 0.000 1.157 189 A HN 0.213 nan 8.150 nan 0.000 0.536 190 S N 3.478 119.168 115.700 -0.017 0.000 2.612 190 S HA 0.235 4.704 4.470 -0.001 0.000 0.253 190 S C -1.424 173.236 174.600 0.100 0.000 1.346 190 S CA -0.447 57.814 58.200 0.101 0.000 0.976 190 S CB -0.252 62.955 63.200 0.011 0.000 0.949 190 S HN 0.504 nan 8.310 nan 0.000 0.584 191 P HA -0.163 nan 4.420 nan 0.000 0.219 191 P C 1.200 178.508 177.300 0.014 0.000 1.144 191 P CA 1.169 64.305 63.100 0.059 0.000 0.806 191 P CB -0.106 31.606 31.700 0.019 0.000 0.771 192 M N -1.265 118.332 119.600 -0.004 0.000 2.200 192 M HA -0.006 4.473 4.480 -0.001 0.000 0.265 192 M C 1.902 178.177 176.300 -0.041 0.000 1.066 192 M CA 1.641 56.925 55.300 -0.026 0.000 1.127 192 M CB -0.914 31.664 32.600 -0.036 0.000 1.379 192 M HN -0.136 nan 8.290 nan 0.000 0.420 193 L N -2.060 119.137 121.223 -0.043 0.000 2.664 193 L HA 0.273 4.613 4.340 -0.001 0.000 0.233 193 L C 0.293 177.136 176.870 -0.045 0.000 1.113 193 L CA -0.154 54.648 54.840 -0.063 0.000 0.896 193 L CB 0.267 42.278 42.059 -0.080 0.000 1.163 193 L HN 0.207 nan 8.230 nan 0.000 0.497 194 Q N 0.629 120.417 119.800 -0.020 0.000 2.507 194 Q HA 0.251 4.591 4.340 -0.001 0.000 0.242 194 Q C -1.188 174.813 176.000 0.002 0.000 0.911 194 Q CA -0.437 55.358 55.803 -0.013 0.000 1.019 194 Q CB 1.395 30.126 28.738 -0.013 0.000 1.523 194 Q HN 0.130 nan 8.270 nan 0.000 0.459 195 R N 4.891 125.388 120.500 -0.004 0.000 2.664 195 R HA 0.258 4.597 4.340 -0.001 0.000 0.281 195 R C -2.040 174.255 176.300 -0.008 0.000 1.383 195 R CA -1.729 54.373 56.100 0.003 0.000 1.563 195 R CB 0.932 31.233 30.300 0.001 0.000 1.131 195 R HN 0.434 nan 8.270 nan 0.000 0.599 196 P HA -0.204 nan 4.420 nan 0.000 0.217 196 P C 0.826 178.109 177.300 -0.030 0.000 1.148 196 P CA 1.298 64.375 63.100 -0.038 0.000 0.834 196 P CB 0.245 31.904 31.700 -0.068 0.000 0.783 197 L N -0.818 120.395 121.223 -0.016 0.000 2.191 197 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 197 L C 2.121 178.987 176.870 -0.008 0.000 1.103 197 L CA 1.749 56.584 54.840 -0.010 0.000 0.769 197 L CB -1.142 40.918 42.059 0.001 0.000 0.908 197 L HN 0.086 nan 8.230 nan 0.000 0.438 198 S N -0.944 114.751 115.700 -0.008 0.000 2.671 198 S HA 0.150 4.619 4.470 -0.001 0.000 0.220 198 S C 1.218 175.812 174.600 -0.009 0.000 0.951 198 S CA 0.003 58.198 58.200 -0.007 0.000 0.932 198 S CB -0.154 63.042 63.200 -0.007 0.000 0.777 198 S HN 0.423 nan 8.310 nan 0.000 0.508 199 L N 0.142 121.357 121.223 -0.013 0.000 2.906 199 L HA 0.435 4.774 4.340 -0.001 0.000 0.255 199 L C 1.645 178.508 176.870 -0.012 0.000 1.166 199 L CA 0.290 55.122 54.840 -0.014 0.000 0.977 199 L CB 0.156 42.203 42.059 -0.022 0.000 1.313 199 L HN 0.565 nan 8.230 nan 0.000 0.549 200 G N 0.524 109.318 108.800 -0.010 0.000 2.232 200 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.226 200 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.226 200 G C 0.579 175.471 174.900 -0.014 0.000 0.996 200 G CA -0.066 45.031 45.100 -0.006 0.000 0.626 200 G HN 0.445 nan 8.290 nan 0.000 0.509 201 A N 0.673 123.473 122.820 -0.032 0.000 2.565 201 A HA 0.436 4.755 4.320 -0.001 0.000 0.237 201 A C 1.225 178.791 177.584 -0.030 0.000 1.053 201 A CA 1.256 53.263 52.037 -0.050 0.000 0.755 201 A CB 0.195 19.148 19.000 -0.078 0.000 0.980 201 A HN 0.318 nan 8.150 nan 0.000 0.506 202 D N 1.081 121.464 120.400 -0.028 0.000 2.240 202 D HA 0.150 4.789 4.640 -0.001 0.000 0.206 202 D C 0.208 176.508 176.300 0.000 0.000 0.963 202 D CA 1.083 55.081 54.000 -0.004 0.000 0.863 202 D CB 0.134 40.938 40.800 0.007 0.000 0.973 202 D HN 0.496 nan 8.370 nan 0.000 0.501 203 L N 0.422 121.625 121.223 -0.033 0.000 2.409 203 L HA 0.438 4.778 4.340 -0.001 0.000 0.262 203 L C -0.962 175.853 176.870 -0.091 0.000 0.992 203 L CA -0.882 53.944 54.840 -0.024 0.000 0.817 203 L CB 3.295 45.345 42.059 -0.016 0.000 1.350 203 L HN -0.363 nan 8.230 nan 0.000 0.411 204 V N 2.259 122.142 119.914 -0.052 0.000 2.540 204 V HA 0.619 4.739 4.120 -0.001 0.000 0.302 204 V C -0.412 175.639 176.094 -0.071 0.000 1.035 204 V CA -0.730 61.504 62.300 -0.110 0.000 0.873 204 V CB 2.283 34.077 31.823 -0.048 0.000 0.992 204 V HN 0.505 nan 8.190 nan 0.000 0.428 205 V N 1.877 121.685 119.914 -0.177 0.000 2.769 205 V HA 0.720 4.839 4.120 -0.001 0.000 0.312 205 V C -0.843 175.143 176.094 -0.181 0.000 1.061 205 V CA -0.349 61.929 62.300 -0.037 0.000 0.931 205 V CB 2.127 33.994 31.823 0.074 0.000 1.010 205 V HN 0.887 nan 8.190 nan 0.000 0.433 206 H N 2.222 121.368 119.070 0.128 0.000 2.679 206 H HA 0.531 5.086 4.556 -0.001 0.000 0.367 206 H C -0.452 174.971 175.328 0.159 0.000 1.162 206 H CA -0.190 55.938 56.048 0.135 0.000 1.181 206 H CB 2.227 32.073 29.762 0.140 0.000 1.693 206 H HN 0.895 nan 8.280 nan 0.000 0.538 207 S N 1.449 117.299 115.700 0.250 0.000 2.409 207 S HA 0.296 4.765 4.470 -0.001 0.000 0.308 207 S C 1.244 175.982 174.600 0.230 0.000 1.080 207 S CA -0.224 58.100 58.200 0.206 0.000 1.081 207 S CB 0.422 63.678 63.200 0.093 0.000 1.009 207 S HN 0.720 nan 8.310 nan 0.000 0.502 208 A N 4.629 127.599 122.820 0.250 0.000 2.032 208 A HA -0.066 4.254 4.320 -0.001 0.000 0.221 208 A C 2.162 179.829 177.584 0.140 0.000 1.165 208 A CA 2.263 54.431 52.037 0.218 0.000 0.645 208 A CB -1.570 17.599 19.000 0.281 0.000 0.807 208 A HN 0.837 nan 8.150 nan 0.000 0.453 209 T N -0.384 114.239 114.554 0.116 0.000 2.802 209 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 209 T C 1.574 176.283 174.700 0.014 0.000 1.062 209 T CA 2.002 64.140 62.100 0.063 0.000 1.133 209 T CB -0.130 68.773 68.868 0.058 0.000 0.852 209 T HN 0.544 nan 8.240 nan 0.000 0.485 210 K N -0.232 120.177 120.400 0.014 0.000 3.502 210 K HA 0.312 4.631 4.320 -0.001 0.000 0.163 210 K C 1.603 178.133 176.600 -0.117 0.000 1.142 210 K CA 0.278 56.494 56.287 -0.117 0.000 1.539 210 K CB -0.621 31.815 32.500 -0.107 0.000 2.125 210 K HN 0.052 nan 8.250 nan 0.000 0.491 211 Y N 1.161 121.485 120.300 0.040 0.000 2.314 211 Y HA -0.007 4.542 4.550 -0.001 0.000 0.293 211 Y C 1.900 177.834 175.900 0.056 0.000 1.129 211 Y CA 0.908 59.034 58.100 0.043 0.000 1.201 211 Y CB -0.349 38.144 38.460 0.054 0.000 0.999 211 Y HN 0.106 nan 8.280 nan 0.000 0.541 212 L N -0.079 121.275 121.223 0.217 0.000 2.017 212 L HA -0.285 4.054 4.340 -0.001 0.000 0.208 212 L C 2.400 179.341 176.870 0.119 0.000 1.073 212 L CA 1.913 56.833 54.840 0.134 0.000 0.745 212 L CB -0.614 41.505 42.059 0.099 0.000 0.894 212 L HN 0.385 nan 8.230 nan 0.000 0.432 213 N N -0.390 118.374 118.700 0.105 0.000 2.216 213 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 213 N C 1.553 177.178 175.510 0.190 0.000 1.017 213 N CA 1.152 54.255 53.050 0.089 0.000 0.861 213 N CB 0.264 38.785 38.487 0.057 0.000 0.986 213 N HN 0.423 nan 8.380 nan 0.000 0.428 214 G N 0.031 108.894 108.800 0.105 0.000 2.284 214 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.261 214 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.261 214 G C 0.574 175.340 174.900 -0.222 0.000 0.997 214 G CA 0.771 45.856 45.100 -0.026 0.000 0.621 214 G HN 0.641 nan 8.290 nan 0.000 0.534 215 H N -0.458 118.595 119.070 -0.028 0.000 2.785 215 H HA 0.352 4.908 4.556 -0.001 0.000 0.268 215 H C 1.674 176.979 175.328 -0.038 0.000 1.153 215 H CA 0.587 56.615 56.048 -0.034 0.000 1.111 215 H CB 0.703 30.443 29.762 -0.037 0.000 1.633 215 H HN 0.428 nan 8.280 nan 0.000 0.576 216 S N 0.987 116.707 115.700 0.033 0.000 3.017 216 S HA -0.209 4.261 4.470 -0.001 0.000 0.283 216 S C 0.960 175.573 174.600 0.022 0.000 1.304 216 S CA 1.622 59.825 58.200 0.005 0.000 1.224 216 S CB -0.915 62.271 63.200 -0.024 0.000 1.480 216 S HN 0.722 nan 8.310 nan 0.000 0.698 217 D N -0.064 120.363 120.400 0.044 0.000 2.349 217 D HA 0.419 5.059 4.640 -0.001 0.000 0.214 217 D C 0.393 176.705 176.300 0.019 0.000 1.063 217 D CA 0.228 54.243 54.000 0.026 0.000 0.847 217 D CB -0.143 40.669 40.800 0.020 0.000 0.933 217 D HN 0.702 nan 8.370 nan 0.000 0.513 218 M N -1.616 117.999 119.600 0.024 0.000 2.569 218 M HA 0.628 5.107 4.480 -0.001 0.000 0.279 218 M C -1.995 174.329 176.300 0.041 0.000 1.253 218 M CA -1.122 54.193 55.300 0.026 0.000 0.867 218 M CB 2.562 35.169 32.600 0.011 0.000 1.727 218 M HN -0.296 nan 8.290 nan 0.000 0.467 219 V N 1.562 121.509 119.914 0.056 0.000 2.487 219 V HA 1.012 5.132 4.120 -0.001 0.000 0.298 219 V C 0.111 176.273 176.094 0.113 0.000 1.028 219 V CA 0.243 62.590 62.300 0.079 0.000 0.860 219 V CB 1.166 33.034 31.823 0.075 0.000 0.991 219 V HN 1.188 nan 8.190 nan 0.000 0.427 220 G N 2.458 111.345 108.800 0.146 0.000 2.547 220 G HA2 0.679 4.639 3.960 -0.001 0.000 0.291 220 G HA3 0.679 4.639 3.960 -0.001 0.000 0.291 220 G C -0.834 174.219 174.900 0.255 0.000 1.471 220 G CA 0.009 45.234 45.100 0.209 0.000 0.798 220 G HN 1.012 nan 8.290 nan 0.000 0.504 221 G N -1.110 107.887 108.800 0.327 0.000 2.533 221 G HA2 0.857 4.817 3.960 -0.001 0.000 0.304 221 G HA3 0.857 4.817 3.960 -0.001 0.000 0.304 221 G C -0.992 174.163 174.900 0.425 0.000 1.263 221 G CA -0.365 44.955 45.100 0.366 0.000 0.964 221 G HN 1.540 nan 8.290 nan 0.000 0.479 222 I N -1.794 119.011 120.570 0.392 0.000 2.865 222 I HA 0.925 5.094 4.170 -0.001 0.000 0.302 222 I C -0.278 176.083 176.117 0.407 0.000 1.140 222 I CA -1.585 59.910 61.300 0.325 0.000 1.021 222 I CB 2.337 40.379 38.000 0.070 0.000 1.233 222 I HN 0.777 nan 8.210 nan 0.000 0.427 223 A N 4.292 127.382 122.820 0.450 0.000 2.343 223 A HA 0.852 5.171 4.320 -0.001 0.000 0.316 223 A C -0.997 176.810 177.584 0.371 0.000 1.104 223 A CA -0.695 51.586 52.037 0.407 0.000 0.768 223 A CB 1.427 20.714 19.000 0.478 0.000 1.213 223 A HN 0.767 nan 8.150 nan 0.000 0.456 224 V N 2.364 122.422 119.914 0.240 0.000 2.459 224 V HA 0.614 4.733 4.120 -0.001 0.000 0.295 224 V C 0.152 176.346 176.094 0.166 0.000 1.029 224 V CA -0.732 61.665 62.300 0.162 0.000 0.874 224 V CB 1.173 33.048 31.823 0.088 0.000 0.985 224 V HN 0.853 nan 8.190 nan 0.000 0.438 225 V N 4.375 124.403 119.914 0.190 0.000 2.547 225 V HA 0.886 5.005 4.120 -0.001 0.000 0.299 225 V C 0.866 177.007 176.094 0.078 0.000 1.040 225 V CA 0.462 62.852 62.300 0.150 0.000 0.913 225 V CB 1.557 33.513 31.823 0.221 0.000 0.992 225 V HN 0.978 nan 8.190 nan 0.000 0.449 226 G N 4.308 113.140 108.800 0.053 0.000 2.529 226 G HA2 0.186 4.145 3.960 -0.001 0.000 0.234 226 G HA3 0.186 4.145 3.960 -0.001 0.000 0.234 226 G C -0.305 174.612 174.900 0.029 0.000 1.527 226 G CA 0.143 45.261 45.100 0.030 0.000 1.062 226 G HN 0.934 nan 8.290 nan 0.000 0.558 227 D N -0.481 119.931 120.400 0.020 0.000 2.193 227 D HA 0.344 4.984 4.640 -0.001 0.000 0.244 227 D C -0.558 175.756 176.300 0.023 0.000 1.064 227 D CA -0.701 53.309 54.000 0.018 0.000 0.845 227 D CB 1.748 42.553 40.800 0.009 0.000 1.148 227 D HN 0.267 nan 8.370 nan 0.000 0.464 228 N N 0.875 119.592 118.700 0.027 0.000 3.884 228 N HA -0.017 4.722 4.740 -0.001 0.000 0.110 228 N C 0.373 175.906 175.510 0.040 0.000 0.959 228 N CA 0.244 53.314 53.050 0.033 0.000 2.629 228 N CB -0.256 38.254 38.487 0.039 0.000 1.472 228 N HN 0.397 nan 8.380 nan 0.000 0.776 229 A N 0.932 123.770 122.820 0.030 0.000 1.958 229 A HA -0.236 4.083 4.320 -0.001 0.000 0.221 229 A C 1.869 179.478 177.584 0.042 0.000 1.178 229 A CA 2.050 54.108 52.037 0.034 0.000 0.642 229 A CB -0.231 18.781 19.000 0.020 0.000 0.816 229 A HN 0.650 nan 8.150 nan 0.000 0.453 230 E N -0.157 120.061 120.200 0.031 0.000 2.077 230 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 230 E C 1.894 178.516 176.600 0.037 0.000 0.989 230 E CA 1.236 57.651 56.400 0.024 0.000 0.800 230 E CB -0.910 28.797 29.700 0.012 0.000 0.746 230 E HN 0.475 nan 8.360 nan 0.000 0.452 231 L N 1.418 122.670 121.223 0.047 0.000 2.056 231 L HA 0.013 4.353 4.340 -0.001 0.000 0.207 231 L C 2.414 179.333 176.870 0.082 0.000 1.078 231 L CA 1.850 56.723 54.840 0.055 0.000 0.749 231 L CB -1.053 41.041 42.059 0.058 0.000 0.901 231 L HN 0.150 nan 8.230 nan 0.000 0.433 232 A N -0.992 121.903 122.820 0.125 0.000 1.877 232 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 232 A C 2.195 179.906 177.584 0.210 0.000 1.186 232 A CA 1.695 53.869 52.037 0.229 0.000 0.620 232 A CB -0.613 18.496 19.000 0.181 0.000 0.822 232 A HN 0.426 nan 8.150 nan 0.000 0.443 233 E N -0.177 120.099 120.200 0.126 0.000 2.110 233 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 233 E C 2.217 178.885 176.600 0.114 0.000 0.988 233 E CA 1.361 57.828 56.400 0.112 0.000 0.804 233 E CB -0.315 29.418 29.700 0.055 0.000 0.745 233 E HN 0.736 nan 8.360 nan 0.000 0.458 234 Q N -0.837 119.006 119.800 0.072 0.000 2.002 234 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 234 Q C 2.079 178.123 176.000 0.073 0.000 0.988 234 Q CA 1.590 57.440 55.803 0.078 0.000 0.843 234 Q CB -0.137 28.627 28.738 0.043 0.000 0.908 234 Q HN 0.263 nan 8.270 nan 0.000 0.420 235 M N -0.094 119.457 119.600 -0.081 0.000 2.080 235 M HA -0.183 4.296 4.480 -0.001 0.000 0.260 235 M C 2.344 178.399 176.300 -0.408 0.000 1.068 235 M CA 1.694 56.768 55.300 -0.378 0.000 1.109 235 M CB -1.328 30.755 32.600 -0.861 0.000 1.342 235 M HN 0.301 nan 8.290 nan 0.000 0.405 236 A N -0.232 122.500 122.820 -0.148 0.000 1.917 236 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 236 A C 2.130 179.819 177.584 0.174 0.000 1.182 236 A CA 1.891 54.060 52.037 0.219 0.000 0.633 236 A CB -1.181 18.024 19.000 0.342 0.000 0.819 236 A HN 0.465 nan 8.150 nan 0.000 0.448 237 F N 0.338 120.306 119.950 0.030 0.000 2.113 237 F HA -0.084 4.443 4.527 -0.001 0.000 0.297 237 F C 1.961 177.785 175.800 0.040 0.000 1.103 237 F CA 1.544 59.567 58.000 0.039 0.000 1.248 237 F CB -0.289 38.727 39.000 0.027 0.000 0.999 237 F HN 0.144 nan 8.300 nan 0.000 0.475 238 L N 0.004 121.240 121.223 0.023 0.000 1.976 238 L HA -0.280 4.060 4.340 -0.001 0.000 0.209 238 L C 2.665 179.521 176.870 -0.024 0.000 1.071 238 L CA 1.988 56.801 54.840 -0.046 0.000 0.746 238 L CB -1.094 40.984 42.059 0.033 0.000 0.890 238 L HN 0.260 nan 8.230 nan 0.000 0.432 239 Q N 0.592 120.440 119.800 0.079 0.000 2.062 239 Q HA -0.328 4.012 4.340 -0.001 0.000 0.209 239 Q C 1.896 177.962 176.000 0.110 0.000 0.996 239 Q CA 2.666 58.607 55.803 0.231 0.000 0.859 239 Q CB -0.189 28.682 28.738 0.221 0.000 0.920 239 Q HN 0.443 nan 8.270 nan 0.000 0.415 240 N N -0.971 117.744 118.700 0.024 0.000 2.331 240 N HA -0.062 4.677 4.740 -0.001 0.000 0.180 240 N C 1.369 176.824 175.510 -0.093 0.000 1.019 240 N CA 1.397 54.443 53.050 -0.007 0.000 0.881 240 N CB 0.114 38.606 38.487 0.008 0.000 0.972 240 N HN 0.104 nan 8.380 nan 0.000 0.435 241 S N -0.374 115.192 115.700 -0.224 0.000 2.404 241 S HA 0.058 4.527 4.470 -0.001 0.000 0.223 241 S C 1.685 176.213 174.600 -0.120 0.000 1.040 241 S CA 0.520 58.556 58.200 -0.274 0.000 0.957 241 S CB -0.071 62.774 63.200 -0.592 0.000 0.826 241 S HN 0.544 nan 8.310 nan 0.000 0.491 242 I N 0.751 121.277 120.570 -0.072 0.000 2.876 242 I HA 0.318 4.488 4.170 -0.001 0.000 0.264 242 I C 1.320 177.456 176.117 0.032 0.000 1.204 242 I CA 1.249 62.541 61.300 -0.013 0.000 1.485 242 I CB -0.474 37.523 38.000 -0.004 0.000 1.103 242 I HN 0.334 nan 8.210 nan 0.000 0.446 243 G N 0.476 109.312 108.800 0.060 0.000 2.148 243 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.254 243 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.254 243 G C 1.029 176.013 174.900 0.140 0.000 0.981 243 G CA 0.079 45.232 45.100 0.089 0.000 0.670 243 G HN 0.982 nan 8.290 nan 0.000 0.528 244 G N -0.204 108.714 108.800 0.197 0.000 3.352 244 G HA2 0.419 4.378 3.960 -0.001 0.000 0.236 244 G HA3 0.419 4.378 3.960 -0.001 0.000 0.236 244 G C 0.619 175.735 174.900 0.361 0.000 1.324 244 G CA 0.605 45.852 45.100 0.246 0.000 1.404 244 G HN 1.070 nan 8.290 nan 0.000 0.542 245 V N -0.268 119.793 119.914 0.244 0.000 2.881 245 V HA 0.296 4.415 4.120 -0.001 0.000 0.303 245 V C 0.429 176.615 176.094 0.153 0.000 1.070 245 V CA -0.638 61.765 62.300 0.172 0.000 1.074 245 V CB 1.646 33.535 31.823 0.110 0.000 1.012 245 V HN 0.549 nan 8.190 nan 0.000 0.482 246 Q N 3.518 123.391 119.800 0.121 0.000 2.293 246 Q HA 0.536 4.875 4.340 -0.001 0.000 0.251 246 Q C 0.169 176.239 176.000 0.117 0.000 0.930 246 Q CA 0.400 56.290 55.803 0.145 0.000 0.893 246 Q CB 1.331 30.181 28.738 0.187 0.000 1.215 246 Q HN 0.948 nan 8.270 nan 0.000 0.425 247 G N 3.443 112.318 108.800 0.126 0.000 2.562 247 G HA2 0.276 4.235 3.960 -0.001 0.000 0.275 247 G HA3 0.276 4.235 3.960 -0.001 0.000 0.275 247 G C -1.885 173.081 174.900 0.111 0.000 1.196 247 G CA -1.217 43.958 45.100 0.124 0.000 0.908 247 G HN 0.667 nan 8.290 nan 0.000 0.524 248 P HA -0.120 nan 4.420 nan 0.000 0.214 248 P C 1.596 178.881 177.300 -0.025 0.000 1.163 248 P CA 1.224 64.301 63.100 -0.039 0.000 0.883 248 P CB -0.014 31.579 31.700 -0.178 0.000 0.788 249 F N 0.536 120.511 119.950 0.041 0.000 2.095 249 F HA -0.185 4.341 4.527 -0.001 0.000 0.298 249 F C 2.136 177.988 175.800 0.086 0.000 1.104 249 F CA 1.638 59.679 58.000 0.068 0.000 1.232 249 F CB -1.354 37.665 39.000 0.031 0.000 0.987 249 F HN -0.053 nan 8.300 nan 0.000 0.475 250 D N -0.405 120.148 120.400 0.256 0.000 2.144 250 D HA -0.119 4.520 4.640 -0.001 0.000 0.200 250 D C 2.318 178.608 176.300 -0.017 0.000 0.978 250 D CA 1.444 55.511 54.000 0.111 0.000 0.833 250 D CB -0.562 40.294 40.800 0.094 0.000 0.961 250 D HN 0.199 nan 8.370 nan 0.000 0.470 251 S N 0.627 116.332 115.700 0.009 0.000 2.370 251 S HA -0.160 4.310 4.470 -0.001 0.000 0.226 251 S C 1.680 176.211 174.600 -0.116 0.000 1.033 251 S CA 0.560 58.699 58.200 -0.101 0.000 1.011 251 S CB -0.447 62.803 63.200 0.084 0.000 0.852 251 S HN 0.252 nan 8.310 nan 0.000 0.457 252 F N 2.029 121.911 119.950 -0.112 0.000 2.126 252 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 252 F C 1.729 177.455 175.800 -0.124 0.000 1.096 252 F CA 0.987 58.924 58.000 -0.105 0.000 1.255 252 F CB -0.320 38.625 39.000 -0.091 0.000 0.997 252 F HN 0.085 nan 8.300 nan 0.000 0.479 253 L N 0.316 121.463 121.223 -0.127 0.000 2.056 253 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 253 L C 2.713 179.383 176.870 -0.332 0.000 1.078 253 L CA 1.865 56.563 54.840 -0.236 0.000 0.749 253 L CB -1.949 40.068 42.059 -0.069 0.000 0.901 253 L HN 0.248 nan 8.230 nan 0.000 0.433 254 A N -1.097 121.472 122.820 -0.419 0.000 1.898 254 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 254 A C 2.244 179.550 177.584 -0.463 0.000 1.181 254 A CA 1.451 53.165 52.037 -0.538 0.000 0.620 254 A CB -0.724 17.666 19.000 -1.018 0.000 0.819 254 A HN 0.330 nan 8.150 nan 0.000 0.442 255 L N 0.017 120.946 121.223 -0.490 0.000 2.017 255 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 255 L C 2.439 179.159 176.870 -0.250 0.000 1.073 255 L CA 2.389 57.102 54.840 -0.211 0.000 0.745 255 L CB -0.704 41.271 42.059 -0.141 0.000 0.894 255 L HN 0.465 nan 8.230 nan 0.000 0.432 256 R N -0.713 119.529 120.500 -0.430 0.000 2.091 256 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 256 R C 2.161 178.319 176.300 -0.237 0.000 1.136 256 R CA 1.517 57.377 56.100 -0.400 0.000 0.959 256 R CB -0.842 29.102 30.300 -0.594 0.000 0.856 256 R HN 0.573 nan 8.270 nan 0.000 0.437 257 G N 1.218 109.893 108.800 -0.209 0.000 2.446 257 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 257 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 257 G C 1.285 176.185 174.900 -0.001 0.000 1.168 257 G CA 0.565 45.634 45.100 -0.051 0.000 0.771 257 G HN 0.248 nan 8.290 nan 0.000 0.551 258 L N 0.513 121.722 121.223 -0.025 0.000 2.129 258 L HA -0.036 4.303 4.340 -0.001 0.000 0.212 258 L C 2.668 179.532 176.870 -0.010 0.000 1.087 258 L CA 1.673 56.521 54.840 0.013 0.000 0.757 258 L CB -0.403 41.681 42.059 0.041 0.000 0.896 258 L HN 0.167 nan 8.230 nan 0.000 0.434 259 K N -1.491 118.882 120.400 -0.045 0.000 2.360 259 K HA -0.071 4.248 4.320 -0.001 0.000 0.201 259 K C 1.316 177.896 176.600 -0.032 0.000 1.046 259 K CA 1.488 57.742 56.287 -0.057 0.000 0.945 259 K CB -0.086 32.361 32.500 -0.089 0.000 0.750 259 K HN 0.532 nan 8.250 nan 0.000 0.464 260 T N -2.128 112.425 114.554 -0.002 0.000 3.084 260 T HA 0.109 4.458 4.350 -0.001 0.000 0.270 260 T C 1.304 176.009 174.700 0.007 0.000 1.008 260 T CA -0.403 61.700 62.100 0.005 0.000 0.900 260 T CB 0.136 69.023 68.868 0.031 0.000 1.084 260 T HN -0.010 nan 8.240 nan 0.000 0.538 261 L N 2.528 123.761 121.223 0.017 0.000 2.012 261 L HA 0.143 4.483 4.340 -0.001 0.000 0.210 261 L C -1.035 175.840 176.870 0.008 0.000 1.073 261 L CA 1.974 56.833 54.840 0.031 0.000 0.748 261 L CB -1.226 40.854 42.059 0.036 0.000 0.891 261 L HN 0.053 nan 8.230 nan 0.000 0.431 262 P HA -0.180 nan 4.420 nan 0.000 0.216 262 P C 2.026 179.309 177.300 -0.028 0.000 1.153 262 P CA 1.722 64.811 63.100 -0.018 0.000 0.858 262 P CB -0.056 31.634 31.700 -0.017 0.000 0.789 263 L N -1.596 119.607 121.223 -0.032 0.000 2.162 263 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 263 L C 2.665 179.486 176.870 -0.081 0.000 1.086 263 L CA 1.006 55.817 54.840 -0.048 0.000 0.778 263 L CB -0.597 41.436 42.059 -0.043 0.000 0.928 263 L HN -0.129 nan 8.230 nan 0.000 0.446 264 R N -0.282 120.167 120.500 -0.084 0.000 2.083 264 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 264 R C 2.266 178.465 176.300 -0.168 0.000 1.137 264 R CA 1.326 57.327 56.100 -0.164 0.000 0.951 264 R CB -0.303 29.949 30.300 -0.079 0.000 0.851 264 R HN 0.241 nan 8.270 nan 0.000 0.434 265 M N 0.214 119.799 119.600 -0.025 0.000 2.175 265 M HA -0.079 4.401 4.480 -0.001 0.000 0.264 265 M C 2.007 178.302 176.300 -0.009 0.000 1.063 265 M CA 1.384 56.695 55.300 0.019 0.000 1.119 265 M CB -0.762 31.825 32.600 -0.021 0.000 1.377 265 M HN -0.030 nan 8.290 nan 0.000 0.415 266 R N 0.354 120.831 120.500 -0.039 0.000 2.083 266 R HA -0.024 4.315 4.340 -0.001 0.000 0.237 266 R C 2.253 178.537 176.300 -0.027 0.000 1.137 266 R CA 1.770 57.850 56.100 -0.034 0.000 0.951 266 R CB -1.430 28.846 30.300 -0.039 0.000 0.851 266 R HN 0.437 nan 8.270 nan 0.000 0.434 267 A N 0.933 123.709 122.820 -0.074 0.000 1.873 267 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 267 A C 1.988 179.553 177.584 -0.031 0.000 1.186 267 A CA 1.339 53.325 52.037 -0.086 0.000 0.616 267 A CB -0.689 18.213 19.000 -0.163 0.000 0.823 267 A HN 0.314 nan 8.150 nan 0.000 0.442 268 H N -0.139 118.937 119.070 0.011 0.000 2.265 268 H HA -0.189 4.367 4.556 -0.001 0.000 0.295 268 H C 2.511 177.870 175.328 0.052 0.000 1.084 268 H CA 1.623 57.694 56.048 0.040 0.000 1.261 268 H CB -1.048 28.758 29.762 0.073 0.000 1.360 268 H HN 0.542 nan 8.280 nan 0.000 0.487 269 C N 0.992 120.402 119.300 0.183 0.000 2.359 269 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 269 C C 2.730 177.808 174.990 0.146 0.000 1.192 269 C CA 1.267 60.386 59.018 0.168 0.000 1.759 269 C CB -0.905 26.882 27.740 0.078 0.000 2.038 269 C HN 0.635 nan 8.230 nan 0.000 0.448 270 E N 0.395 120.645 120.200 0.082 0.000 2.118 270 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 270 E C 1.831 178.461 176.600 0.050 0.000 0.992 270 E CA 1.224 57.662 56.400 0.062 0.000 0.804 270 E CB -0.368 29.348 29.700 0.027 0.000 0.741 270 E HN 0.693 nan 8.360 nan 0.000 0.458 271 N N 0.285 119.012 118.700 0.045 0.000 2.109 271 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 271 N C 1.991 177.506 175.510 0.008 0.000 1.034 271 N CA 0.685 53.752 53.050 0.028 0.000 0.846 271 N CB -0.088 38.422 38.487 0.038 0.000 1.010 271 N HN 0.069 nan 8.380 nan 0.000 0.425 272 A N 1.757 124.580 122.820 0.005 0.000 1.859 272 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 272 A C 2.170 179.537 177.584 -0.362 0.000 1.209 272 A CA 1.405 53.342 52.037 -0.166 0.000 0.639 272 A CB -1.112 17.818 19.000 -0.116 0.000 0.835 272 A HN 0.303 nan 8.150 nan 0.000 0.450 273 L N -0.371 120.738 121.223 -0.190 0.000 2.081 273 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 273 L C 2.674 179.546 176.870 0.003 0.000 1.080 273 L CA 2.374 57.200 54.840 -0.024 0.000 0.754 273 L CB -0.698 41.543 42.059 0.303 0.000 0.893 273 L HN 0.396 nan 8.230 nan 0.000 0.433 274 A N -0.667 122.163 122.820 0.016 0.000 1.902 274 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 274 A C 2.218 179.827 177.584 0.042 0.000 1.181 274 A CA 2.024 54.081 52.037 0.034 0.000 0.623 274 A CB -0.851 18.158 19.000 0.015 0.000 0.818 274 A HN 0.508 nan 8.150 nan 0.000 0.443 275 L N -1.012 120.211 121.223 0.001 0.000 2.313 275 L HA -0.043 4.297 4.340 -0.001 0.000 0.214 275 L C 2.942 179.843 176.870 0.051 0.000 1.119 275 L CA 0.592 55.460 54.840 0.047 0.000 0.809 275 L CB -0.408 41.667 42.059 0.027 0.000 0.933 275 L HN 0.422 nan 8.230 nan 0.000 0.449 276 A N 0.032 122.808 122.820 -0.074 0.000 1.902 276 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 276 A C 2.236 179.841 177.584 0.035 0.000 1.181 276 A CA 1.542 53.530 52.037 -0.081 0.000 0.623 276 A CB -0.300 18.570 19.000 -0.217 0.000 0.818 276 A HN 0.466 nan 8.150 nan 0.000 0.443 277 Q N -1.485 118.360 119.800 0.076 0.000 2.096 277 Q HA -0.115 4.224 4.340 -0.001 0.000 0.197 277 Q C 2.051 178.129 176.000 0.131 0.000 0.964 277 Q CA 1.181 57.040 55.803 0.093 0.000 0.838 277 Q CB -0.330 28.468 28.738 0.101 0.000 0.906 277 Q HN 0.920 nan 8.270 nan 0.000 0.444 278 W N 1.919 123.215 121.300 -0.007 0.000 2.333 278 W HA -0.209 4.450 4.660 -0.001 0.000 0.316 278 W C 1.356 177.881 176.519 0.010 0.000 1.215 278 W CA 1.284 58.633 57.345 0.007 0.000 1.278 278 W CB -0.461 29.003 29.460 0.005 0.000 1.154 278 W HN 0.143 nan 8.180 nan 0.000 0.486 279 L N 0.884 122.152 121.223 0.074 0.000 2.131 279 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 279 L C 2.522 179.329 176.870 -0.105 0.000 1.092 279 L CA 2.024 56.805 54.840 -0.099 0.000 0.759 279 L CB -1.057 40.988 42.059 -0.023 0.000 0.903 279 L HN 0.015 nan 8.230 nan 0.000 0.435 280 E N 0.207 120.374 120.200 -0.055 0.000 2.333 280 E HA -0.177 4.173 4.350 -0.001 0.000 0.198 280 E C 1.092 177.645 176.600 -0.078 0.000 1.007 280 E CA 1.364 57.734 56.400 -0.051 0.000 0.845 280 E CB 0.128 29.817 29.700 -0.019 0.000 0.766 280 E HN 0.445 nan 8.360 nan 0.000 0.507 281 T N -2.292 112.188 114.554 -0.123 0.000 3.374 281 T HA 0.215 4.564 4.350 -0.001 0.000 0.267 281 T C -0.648 173.913 174.700 -0.233 0.000 0.996 281 T CA -0.732 61.275 62.100 -0.154 0.000 0.977 281 T CB -0.231 68.554 68.868 -0.140 0.000 1.149 281 T HN 0.175 nan 8.240 nan 0.000 0.517 282 H N 1.778 120.658 119.070 -0.315 0.000 2.489 282 H HA 0.528 5.083 4.556 -0.001 0.000 0.343 282 H C -2.713 172.482 175.328 -0.222 0.000 1.086 282 H CA -2.040 53.797 56.048 -0.352 0.000 1.198 282 H CB 2.255 31.759 29.762 -0.431 0.000 1.490 282 H HN -0.022 nan 8.280 nan 0.000 0.504 283 P HA 0.255 nan 4.420 nan 0.000 0.212 283 P C -0.634 176.564 177.300 -0.171 0.000 1.816 283 P CA 0.148 63.090 63.100 -0.263 0.000 0.944 283 P CB 0.409 31.953 31.700 -0.260 0.000 1.896 284 A N 0.720 123.560 122.820 0.033 0.000 2.733 284 A HA 0.331 4.651 4.320 -0.001 0.000 0.232 284 A C 0.098 177.686 177.584 0.007 0.000 1.251 284 A CA -0.007 52.074 52.037 0.072 0.000 1.015 284 A CB -0.029 19.087 19.000 0.193 0.000 1.291 284 A HN 0.345 nan 8.150 nan 0.000 0.595 285 I N -1.316 119.256 120.570 0.004 0.000 2.545 285 I HA 0.760 4.929 4.170 -0.001 0.000 0.292 285 I C 0.514 176.588 176.117 -0.072 0.000 1.040 285 I CA -0.341 60.910 61.300 -0.081 0.000 1.068 285 I CB 2.259 40.179 38.000 -0.132 0.000 1.251 285 I HN 0.068 nan 8.210 nan 0.000 0.424 286 E N 5.772 125.924 120.200 -0.080 0.000 2.127 286 E HA 0.194 4.544 4.350 -0.001 0.000 0.191 286 E C -0.125 176.438 176.600 -0.061 0.000 0.964 286 E CA 0.944 57.306 56.400 -0.064 0.000 0.832 286 E CB 0.297 29.963 29.700 -0.057 0.000 0.790 286 E HN 0.575 nan 8.360 nan 0.000 0.465 287 K N 0.346 120.706 120.400 -0.068 0.000 2.656 287 K HA 0.302 4.621 4.320 -0.001 0.000 0.253 287 K C -1.746 174.822 176.600 -0.053 0.000 1.002 287 K CA -0.588 55.666 56.287 -0.056 0.000 0.880 287 K CB 1.718 34.187 32.500 -0.052 0.000 1.232 287 K HN -0.052 nan 8.250 nan 0.000 0.456 288 V N 6.237 126.130 119.914 -0.034 0.000 2.406 288 V HA 0.348 4.467 4.120 -0.001 0.000 0.272 288 V C 0.141 176.262 176.094 0.044 0.000 1.043 288 V CA -0.422 61.874 62.300 -0.006 0.000 0.915 288 V CB 0.970 32.792 31.823 -0.000 0.000 0.988 288 V HN 0.623 nan 8.190 nan 0.000 0.466 289 I N 6.324 126.941 120.570 0.079 0.000 2.328 289 I HA 0.457 4.627 4.170 -0.001 0.000 0.287 289 I C -1.040 175.262 176.117 0.308 0.000 1.012 289 I CA -0.546 60.846 61.300 0.154 0.000 1.195 289 I CB 0.918 38.975 38.000 0.095 0.000 1.350 289 I HN 0.574 nan 8.210 nan 0.000 0.464 290 Y N 8.663 129.083 120.300 0.199 0.000 2.390 290 Y HA 0.335 4.885 4.550 -0.001 0.000 0.324 290 Y C -2.468 173.399 175.900 -0.055 0.000 1.151 290 Y CA -2.005 56.149 58.100 0.091 0.000 1.053 290 Y CB 2.310 40.799 38.460 0.049 0.000 1.277 290 Y HN 0.306 nan 8.280 nan 0.000 0.432 291 P HA 0.043 nan 4.420 nan 0.000 0.236 291 P C 1.060 177.667 177.300 -1.156 0.000 1.172 291 P CA 1.632 64.066 63.100 -1.109 0.000 0.759 291 P CB 0.307 31.497 31.700 -0.849 0.000 0.843 292 G N -1.342 106.730 108.800 -1.214 0.000 2.838 292 G HA2 0.090 4.050 3.960 -0.001 0.000 0.210 292 G HA3 0.090 4.050 3.960 -0.001 0.000 0.210 292 G C 0.363 175.067 174.900 -0.328 0.000 1.153 292 G CA -0.052 44.434 45.100 -1.023 0.000 0.778 292 G HN 0.203 nan 8.290 nan 0.000 0.539 293 L N 0.305 121.407 121.223 -0.200 0.000 2.399 293 L HA 0.454 4.793 4.340 -0.001 0.000 0.266 293 L C 1.964 178.505 176.870 -0.549 0.000 1.114 293 L CA -0.545 54.166 54.840 -0.214 0.000 0.804 293 L CB 1.464 43.513 42.059 -0.016 0.000 1.146 293 L HN 0.080 nan 8.230 nan 0.000 0.451 294 A N 1.274 123.774 122.820 -0.534 0.000 1.908 294 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 294 A C 2.319 179.789 177.584 -0.190 0.000 1.181 294 A CA 2.048 53.814 52.037 -0.452 0.000 0.627 294 A CB -0.865 18.003 19.000 -0.220 0.000 0.818 294 A HN 0.919 nan 8.150 nan 0.000 0.445 295 S N -0.549 115.081 115.700 -0.118 0.000 2.440 295 S HA -0.230 4.239 4.470 -0.001 0.000 0.240 295 S C 0.870 175.457 174.600 -0.022 0.000 1.014 295 S CA 1.134 59.302 58.200 -0.054 0.000 0.980 295 S CB -0.848 62.328 63.200 -0.040 0.000 0.775 295 S HN 0.745 nan 8.310 nan 0.000 0.499 296 H N 3.444 122.456 119.070 -0.097 0.000 2.899 296 H HA 0.256 4.811 4.556 -0.001 0.000 0.303 296 H C -1.597 173.716 175.328 -0.025 0.000 1.042 296 H CA -1.392 54.622 56.048 -0.057 0.000 1.479 296 H CB 0.745 30.457 29.762 -0.084 0.000 1.493 296 H HN -0.028 nan 8.280 nan 0.000 0.534 297 P HA -0.257 nan 4.420 nan 0.000 0.222 297 P C -0.065 177.285 177.300 0.083 0.000 1.154 297 P CA 1.813 64.858 63.100 -0.092 0.000 0.874 297 P CB 0.176 31.764 31.700 -0.187 0.000 0.787 298 Q N -3.395 116.598 119.800 0.323 0.000 2.182 298 Q HA 0.087 4.426 4.340 -0.001 0.000 0.305 298 Q C 1.020 177.117 176.000 0.162 0.000 0.880 298 Q CA -0.237 55.707 55.803 0.236 0.000 1.131 298 Q CB -0.074 28.782 28.738 0.196 0.000 1.237 298 Q HN 0.283 nan 8.270 nan 0.000 0.447 299 H N 0.549 119.644 119.070 0.041 0.000 2.319 299 H HA -0.166 4.390 4.556 -0.001 0.000 0.297 299 H C 1.644 176.931 175.328 -0.067 0.000 1.097 299 H CA 2.226 58.206 56.048 -0.113 0.000 1.285 299 H CB 0.101 29.809 29.762 -0.091 0.000 1.368 299 H HN 0.156 nan 8.280 nan 0.000 0.495 300 V N 0.650 120.535 119.914 -0.049 0.000 2.407 300 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 300 V C 2.835 178.880 176.094 -0.081 0.000 1.055 300 V CA 1.731 63.974 62.300 -0.095 0.000 1.049 300 V CB -0.670 31.150 31.823 -0.005 0.000 0.662 300 V HN 0.448 nan 8.190 nan 0.000 0.455 301 L N -0.269 120.930 121.223 -0.040 0.000 2.056 301 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 301 L C 2.649 179.495 176.870 -0.039 0.000 1.078 301 L CA 1.702 56.526 54.840 -0.027 0.000 0.749 301 L CB -0.639 41.418 42.059 -0.003 0.000 0.901 301 L HN 0.391 nan 8.230 nan 0.000 0.433 302 A N 0.220 122.997 122.820 -0.071 0.000 1.859 302 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 302 A C 2.163 179.799 177.584 0.086 0.000 1.209 302 A CA 2.004 54.025 52.037 -0.026 0.000 0.639 302 A CB -0.601 18.281 19.000 -0.196 0.000 0.835 302 A HN 0.305 nan 8.150 nan 0.000 0.450 303 K N -0.742 119.652 120.400 -0.010 0.000 2.218 303 K HA -0.160 4.159 4.320 -0.001 0.000 0.205 303 K C 2.140 178.735 176.600 -0.007 0.000 1.046 303 K CA 1.508 57.810 56.287 0.024 0.000 0.933 303 K CB -0.274 32.153 32.500 -0.122 0.000 0.728 303 K HN 0.552 nan 8.250 nan 0.000 0.454 304 R N 0.938 121.424 120.500 -0.023 0.000 2.066 304 R HA -0.079 4.260 4.340 -0.001 0.000 0.224 304 R C 2.091 178.381 176.300 -0.016 0.000 1.122 304 R CA 1.286 57.374 56.100 -0.020 0.000 0.974 304 R CB 0.179 30.467 30.300 -0.020 0.000 0.871 304 R HN 0.302 nan 8.270 nan 0.000 0.435 305 Q N -0.771 119.022 119.800 -0.012 0.000 2.247 305 Q HA 0.226 4.565 4.340 -0.001 0.000 0.211 305 Q C -0.154 175.834 176.000 -0.019 0.000 0.861 305 Q CA 0.032 55.826 55.803 -0.016 0.000 0.949 305 Q CB 0.831 29.560 28.738 -0.015 0.000 1.115 305 Q HN 0.118 nan 8.270 nan 0.000 0.507 306 M N 1.004 120.593 119.600 -0.018 0.000 2.457 306 M HA 0.272 4.751 4.480 -0.001 0.000 0.300 306 M C -0.026 176.207 176.300 -0.112 0.000 1.141 306 M CA -0.583 54.690 55.300 -0.045 0.000 0.901 306 M CB 2.438 35.032 32.600 -0.010 0.000 1.687 306 M HN 0.193 nan 8.290 nan 0.000 0.449 307 S N -0.116 115.502 115.700 -0.137 0.000 2.558 307 S HA 0.367 4.836 4.470 -0.001 0.000 0.217 307 S C 0.521 174.930 174.600 -0.319 0.000 0.975 307 S CA 0.184 58.275 58.200 -0.182 0.000 0.912 307 S CB 0.036 63.166 63.200 -0.117 0.000 0.776 307 S HN 0.912 nan 8.310 nan 0.000 0.526 308 G N -0.228 108.341 108.800 -0.386 0.000 2.623 308 G HA2 0.553 4.512 3.960 -0.001 0.000 0.290 308 G HA3 0.553 4.512 3.960 -0.001 0.000 0.290 308 G C -0.847 173.789 174.900 -0.440 0.000 1.437 308 G CA -0.768 44.005 45.100 -0.544 0.000 0.798 308 G HN 0.091 nan 8.290 nan 0.000 0.488 309 F N 0.859 120.780 119.950 -0.048 0.000 2.678 309 F HA 0.523 5.049 4.527 -0.001 0.000 0.305 309 F C 1.524 177.258 175.800 -0.111 0.000 1.090 309 F CA -0.186 57.701 58.000 -0.189 0.000 1.272 309 F CB 0.340 39.090 39.000 -0.416 0.000 1.060 309 F HN 1.146 nan 8.300 nan 0.000 0.576 310 G N 0.304 109.187 108.800 0.139 0.000 2.728 310 G HA2 0.039 3.998 3.960 -0.001 0.000 0.294 310 G HA3 0.039 3.998 3.960 -0.001 0.000 0.294 310 G C 0.737 175.775 174.900 0.229 0.000 1.342 310 G CA -0.493 44.661 45.100 0.090 0.000 0.866 310 G HN 0.556 nan 8.290 nan 0.000 0.534 311 G N -0.989 107.882 108.800 0.119 0.000 3.277 311 G HA2 0.504 4.463 3.960 -0.001 0.000 0.243 311 G HA3 0.504 4.463 3.960 -0.001 0.000 0.243 311 G C 0.547 175.529 174.900 0.137 0.000 1.107 311 G CA 0.131 45.312 45.100 0.135 0.000 0.771 311 G HN 0.737 nan 8.290 nan 0.000 0.544 312 I N 1.886 122.576 120.570 0.200 0.000 2.312 312 I HA 0.294 4.463 4.170 -0.001 0.000 0.290 312 I C -0.689 175.581 176.117 0.255 0.000 1.008 312 I CA -0.668 60.724 61.300 0.154 0.000 1.226 312 I CB 2.001 40.036 38.000 0.058 0.000 1.371 312 I HN -0.290 nan 8.210 nan 0.000 0.468 313 V N 5.374 125.373 119.914 0.142 0.000 2.378 313 V HA 0.284 4.403 4.120 -0.001 0.000 0.288 313 V C 0.119 176.264 176.094 0.085 0.000 1.016 313 V CA -0.383 61.982 62.300 0.109 0.000 0.840 313 V CB 1.556 33.358 31.823 -0.035 0.000 0.994 313 V HN 0.702 nan 8.190 nan 0.000 0.431 314 S N 5.950 121.713 115.700 0.106 0.000 2.442 314 S HA 0.749 5.219 4.470 -0.001 0.000 0.297 314 S C -0.242 174.358 174.600 0.000 0.000 1.131 314 S CA -0.445 57.784 58.200 0.047 0.000 1.092 314 S CB 0.706 63.946 63.200 0.068 0.000 0.998 314 S HN 0.664 nan 8.310 nan 0.000 0.478 315 I N 0.476 121.007 120.570 -0.066 0.000 2.846 315 I HA 0.837 5.007 4.170 -0.001 0.000 0.307 315 I C -0.945 175.085 176.117 -0.146 0.000 1.053 315 I CA -1.141 60.089 61.300 -0.116 0.000 1.050 315 I CB 1.935 39.821 38.000 -0.190 0.000 1.239 315 I HN 0.309 nan 8.210 nan 0.000 0.439 316 V N 5.245 125.074 119.914 -0.140 0.000 2.447 316 V HA 0.447 4.566 4.120 -0.001 0.000 0.292 316 V C -0.444 175.563 176.094 -0.146 0.000 1.021 316 V CA -0.417 61.801 62.300 -0.136 0.000 0.850 316 V CB 1.560 33.330 31.823 -0.088 0.000 1.005 316 V HN 0.589 nan 8.190 nan 0.000 0.426 317 L N 6.800 127.916 121.223 -0.177 0.000 2.397 317 L HA 0.415 4.754 4.340 -0.001 0.000 0.271 317 L C 1.700 178.515 176.870 -0.092 0.000 1.148 317 L CA 0.282 55.020 54.840 -0.170 0.000 0.825 317 L CB 0.552 42.479 42.059 -0.219 0.000 1.117 317 L HN 0.551 nan 8.230 nan 0.000 0.456 318 K N 2.425 122.781 120.400 -0.073 0.000 2.113 318 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 318 K C 1.548 178.135 176.600 -0.022 0.000 1.047 318 K CA 1.587 57.848 56.287 -0.043 0.000 0.928 318 K CB -0.220 32.257 32.500 -0.038 0.000 0.716 318 K HN 0.959 nan 8.250 nan 0.000 0.446 319 G N 0.544 109.335 108.800 -0.015 0.000 3.088 319 G HA2 0.251 4.210 3.960 -0.001 0.000 0.212 319 G HA3 0.251 4.210 3.960 -0.001 0.000 0.212 319 G C 0.609 175.533 174.900 0.040 0.000 1.173 319 G CA 0.340 45.448 45.100 0.014 0.000 0.779 319 G HN 0.480 nan 8.290 nan 0.000 0.540 320 G N -0.122 108.698 108.800 0.033 0.000 2.692 320 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.248 320 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.248 320 G C 0.670 175.660 174.900 0.150 0.000 1.340 320 G CA 0.101 45.250 45.100 0.082 0.000 0.896 320 G HN 0.636 nan 8.290 nan 0.000 0.570 321 F N 0.760 120.750 119.950 0.067 0.000 2.135 321 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 321 F C 2.219 178.095 175.800 0.125 0.000 1.074 321 F CA 3.105 61.178 58.000 0.123 0.000 1.262 321 F CB -0.132 38.914 39.000 0.076 0.000 1.013 321 F HN 0.471 nan 8.300 nan 0.000 0.489 322 D N -0.097 120.534 120.400 0.385 0.000 2.110 322 D HA -0.050 4.589 4.640 -0.001 0.000 0.202 322 D C 2.443 178.827 176.300 0.139 0.000 0.975 322 D CA 1.505 55.678 54.000 0.289 0.000 0.839 322 D CB -0.776 40.155 40.800 0.218 0.000 0.996 322 D HN 0.321 nan 8.370 nan 0.000 0.464 323 A N 1.136 124.017 122.820 0.101 0.000 1.917 323 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 323 A C 2.285 179.908 177.584 0.066 0.000 1.182 323 A CA 2.700 54.777 52.037 0.067 0.000 0.633 323 A CB -0.846 18.173 19.000 0.032 0.000 0.819 323 A HN 0.261 nan 8.150 nan 0.000 0.448 324 A N -0.200 122.637 122.820 0.028 0.000 1.858 324 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 324 A C 2.162 179.824 177.584 0.130 0.000 1.190 324 A CA 2.103 54.145 52.037 0.008 0.000 0.617 324 A CB -0.576 18.341 19.000 -0.138 0.000 0.827 324 A HN 0.568 nan 8.150 nan 0.000 0.443 325 K N -0.390 120.049 120.400 0.064 0.000 2.059 325 K HA -0.249 4.070 4.320 -0.001 0.000 0.212 325 K C 2.316 178.960 176.600 0.074 0.000 1.050 325 K CA 1.917 58.210 56.287 0.010 0.000 0.927 325 K CB -0.271 32.156 32.500 -0.120 0.000 0.714 325 K HN 0.441 nan 8.250 nan 0.000 0.447 326 R N -0.394 120.161 120.500 0.092 0.000 2.081 326 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 326 R C 2.329 178.693 176.300 0.106 0.000 1.131 326 R CA 1.566 57.720 56.100 0.090 0.000 0.960 326 R CB -0.441 29.913 30.300 0.091 0.000 0.856 326 R HN 0.258 nan 8.270 nan 0.000 0.436 327 F N 1.256 121.194 119.950 -0.020 0.000 2.027 327 F HA -0.310 4.217 4.527 -0.001 0.000 0.297 327 F C 1.897 177.675 175.800 -0.037 0.000 1.129 327 F CA 1.781 59.755 58.000 -0.043 0.000 1.195 327 F CB -0.719 38.231 39.000 -0.082 0.000 0.960 327 F HN 0.065 nan 8.300 nan 0.000 0.485 328 C N 1.053 120.297 119.300 -0.092 0.000 2.496 328 C HA -0.047 4.412 4.460 -0.001 0.000 0.294 328 C C 1.923 176.845 174.990 -0.114 0.000 1.490 328 C CA 0.904 59.823 59.018 -0.165 0.000 1.672 328 C CB -2.413 25.342 27.740 0.025 0.000 1.580 328 C HN 0.572 nan 8.230 nan 0.000 0.598 329 E N -0.610 119.530 120.200 -0.100 0.000 2.500 329 E HA 0.031 4.380 4.350 -0.001 0.000 0.217 329 E C 1.686 178.244 176.600 -0.070 0.000 0.848 329 E CA -0.028 56.338 56.400 -0.057 0.000 1.217 329 E CB 0.191 29.884 29.700 -0.012 0.000 1.217 329 E HN 0.519 nan 8.360 nan 0.000 0.573 330 K N 1.186 121.523 120.400 -0.106 0.000 2.426 330 K HA 0.039 4.358 4.320 -0.001 0.000 0.193 330 K C 0.585 177.105 176.600 -0.133 0.000 1.028 330 K CA 0.569 56.803 56.287 -0.088 0.000 1.047 330 K CB 0.451 32.929 32.500 -0.036 0.000 0.821 330 K HN 0.077 nan 8.250 nan 0.000 0.513 331 T N -1.335 113.085 114.554 -0.222 0.000 2.909 331 T HA 0.226 4.575 4.350 -0.001 0.000 0.286 331 T C 0.612 175.276 174.700 -0.060 0.000 1.002 331 T CA -0.711 61.286 62.100 -0.173 0.000 1.074 331 T CB 1.830 70.527 68.868 -0.286 0.000 0.984 331 T HN 0.041 nan 8.240 nan 0.000 0.495 332 E N 1.312 121.508 120.200 -0.006 0.000 2.476 332 E HA 0.161 4.510 4.350 -0.001 0.000 0.193 332 E C 2.098 178.696 176.600 -0.002 0.000 0.966 332 E CA -0.090 56.307 56.400 -0.006 0.000 1.114 332 E CB -0.101 29.593 29.700 -0.009 0.000 1.151 332 E HN 0.477 nan 8.360 nan 0.000 0.487 333 L N 0.880 122.105 121.223 0.004 0.000 2.013 333 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 333 L C 0.902 177.687 176.870 -0.141 0.000 1.073 333 L CA 1.026 55.823 54.840 -0.072 0.000 0.753 333 L CB -0.503 41.500 42.059 -0.094 0.000 0.890 333 L HN -0.002 nan 8.230 nan 0.000 0.432 334 F N 0.511 120.411 119.950 -0.083 0.000 2.533 334 F HA 0.043 4.570 4.527 -0.001 0.000 0.378 334 F C 0.738 176.480 175.800 -0.098 0.000 1.070 334 F CA 0.302 58.247 58.000 -0.092 0.000 1.172 334 F CB 0.185 39.113 39.000 -0.121 0.000 1.085 334 F HN -0.163 nan 8.300 nan 0.000 0.552 335 T N 5.349 119.928 114.554 0.042 0.000 2.824 335 T HA 0.320 4.669 4.350 -0.001 0.000 0.280 335 T C -0.586 174.127 174.700 0.022 0.000 0.995 335 T CA -0.605 61.499 62.100 0.007 0.000 1.009 335 T CB 1.260 70.111 68.868 -0.028 0.000 0.955 335 T HN 0.243 nan 8.240 nan 0.000 0.452 336 L N 4.077 125.306 121.223 0.009 0.000 2.385 336 L HA 0.616 4.955 4.340 -0.001 0.000 0.281 336 L C 0.043 176.923 176.870 0.017 0.000 1.106 336 L CA 0.433 55.282 54.840 0.014 0.000 0.856 336 L CB -1.277 40.784 42.059 0.003 0.000 1.186 336 L HN 0.913 nan 8.230 nan 0.000 0.453 337 A N 4.129 126.964 122.820 0.026 0.000 2.515 337 A HA 0.449 4.769 4.320 -0.001 0.000 0.292 337 A C 0.350 177.955 177.584 0.035 0.000 1.065 337 A CA -0.438 51.613 52.037 0.024 0.000 0.641 337 A CB 0.524 19.529 19.000 0.008 0.000 1.306 337 A HN 0.605 nan 8.150 nan 0.000 0.441 338 E N 0.205 120.428 120.200 0.038 0.000 2.024 338 E HA 0.057 4.406 4.350 -0.001 0.000 0.190 338 E C 0.978 177.607 176.600 0.048 0.000 0.974 338 E CA 0.809 57.245 56.400 0.059 0.000 0.810 338 E CB -0.038 29.704 29.700 0.069 0.000 0.775 338 E HN 0.570 nan 8.360 nan 0.000 0.453 339 S N -0.048 115.667 115.700 0.026 0.000 2.572 339 S HA 0.151 4.621 4.470 -0.001 0.000 0.262 339 S C -0.160 174.398 174.600 -0.070 0.000 1.375 339 S CA -0.093 58.102 58.200 -0.008 0.000 0.996 339 S CB 0.166 63.355 63.200 -0.019 0.000 0.892 339 S HN 0.229 nan 8.310 nan 0.000 0.562 340 L N -0.962 120.171 121.223 -0.149 0.000 2.357 340 L HA 0.919 5.258 4.340 -0.001 0.000 0.244 340 L C 0.848 177.419 176.870 -0.497 0.000 1.115 340 L CA -0.171 54.498 54.840 -0.285 0.000 0.919 340 L CB 0.360 42.230 42.059 -0.314 0.000 1.532 340 L HN 0.805 nan 8.230 nan 0.000 0.416 341 G N -1.367 106.941 108.800 -0.821 0.000 2.155 341 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.257 341 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.257 341 G C 0.467 174.955 174.900 -0.686 0.000 0.983 341 G CA 0.362 44.565 45.100 -1.495 0.000 0.676 341 G HN 1.261 nan 8.290 nan 0.000 0.528 342 G N -1.635 106.936 108.800 -0.383 0.000 2.621 342 G HA2 0.496 4.456 3.960 -0.001 0.000 0.271 342 G HA3 0.496 4.456 3.960 -0.001 0.000 0.271 342 G C 1.086 175.926 174.900 -0.099 0.000 1.236 342 G CA 0.408 45.385 45.100 -0.205 0.000 0.958 342 G HN 0.819 nan 8.290 nan 0.000 0.512 343 V N -0.452 119.392 119.914 -0.117 0.000 3.174 343 V HA 0.142 4.262 4.120 -0.001 0.000 0.254 343 V C 1.171 177.225 176.094 -0.066 0.000 1.120 343 V CA 1.497 63.746 62.300 -0.085 0.000 1.114 343 V CB -0.462 31.190 31.823 -0.285 0.000 0.756 343 V HN 0.828 nan 8.190 nan 0.000 0.467 344 E N -0.099 120.041 120.200 -0.101 0.000 2.283 344 E HA 0.412 4.761 4.350 -0.001 0.000 0.271 344 E C -0.315 176.180 176.600 -0.174 0.000 1.031 344 E CA -0.424 55.896 56.400 -0.133 0.000 0.868 344 E CB 1.101 30.729 29.700 -0.120 0.000 1.094 344 E HN 0.119 nan 8.360 nan 0.000 0.401 345 S N 1.734 117.251 115.700 -0.304 0.000 2.531 345 S HA 0.221 4.690 4.470 -0.001 0.000 0.279 345 S C -0.117 174.306 174.600 -0.295 0.000 1.305 345 S CA -0.515 57.398 58.200 -0.480 0.000 1.058 345 S CB -0.064 62.398 63.200 -1.231 0.000 0.899 345 S HN 0.330 nan 8.310 nan 0.000 0.493 346 L N 2.945 124.115 121.223 -0.088 0.000 2.322 346 L HA 0.835 5.174 4.340 -0.001 0.000 0.269 346 L C -0.252 176.754 176.870 0.226 0.000 1.012 346 L CA -0.923 53.943 54.840 0.042 0.000 0.815 346 L CB 1.557 43.603 42.059 -0.022 0.000 1.295 346 L HN 0.359 nan 8.230 nan 0.000 0.438 347 V N 1.303 121.312 119.914 0.159 0.000 3.078 347 V HA 0.615 4.734 4.120 -0.001 0.000 0.311 347 V C -1.476 174.665 176.094 0.078 0.000 1.138 347 V CA -0.346 62.032 62.300 0.130 0.000 1.007 347 V CB 2.509 34.378 31.823 0.077 0.000 1.045 347 V HN 0.959 nan 8.190 nan 0.000 0.432 348 N N 2.190 120.935 118.700 0.076 0.000 2.516 348 N HA 0.273 5.012 4.740 -0.001 0.000 0.268 348 N C -2.100 173.465 175.510 0.092 0.000 1.096 348 N CA -0.482 52.622 53.050 0.090 0.000 0.954 348 N CB 1.889 40.431 38.487 0.091 0.000 1.676 348 N HN 0.944 nan 8.380 nan 0.000 0.490 349 H N 4.081 123.164 119.070 0.021 0.000 2.691 349 H HA 0.350 4.905 4.556 -0.001 0.000 0.281 349 H C -1.759 173.579 175.328 0.017 0.000 1.121 349 H CA -2.057 53.984 56.048 -0.012 0.000 1.254 349 H CB 1.481 31.200 29.762 -0.071 0.000 1.390 349 H HN 0.436 nan 8.280 nan 0.000 0.491 350 P HA -0.268 nan 4.420 nan 0.000 0.216 350 P C 1.202 178.623 177.300 0.202 0.000 1.157 350 P CA 2.002 65.204 63.100 0.170 0.000 0.880 350 P CB 0.272 31.973 31.700 0.002 0.000 0.791 351 A N -0.703 122.250 122.820 0.222 0.000 1.845 351 A HA -0.178 4.142 4.320 -0.001 0.000 0.215 351 A C 2.312 179.979 177.584 0.139 0.000 1.195 351 A CA 2.219 54.369 52.037 0.189 0.000 0.616 351 A CB -1.742 17.398 19.000 0.234 0.000 0.832 351 A HN 0.048 nan 8.150 nan 0.000 0.443 352 V N -0.781 119.171 119.914 0.063 0.000 2.594 352 V HA -0.239 3.880 4.120 -0.001 0.000 0.253 352 V C 2.044 178.171 176.094 0.055 0.000 1.069 352 V CA 2.134 64.446 62.300 0.020 0.000 1.082 352 V CB -0.831 30.907 31.823 -0.142 0.000 0.680 352 V HN 0.549 nan 8.190 nan 0.000 0.469 353 M N -1.876 117.780 119.600 0.093 0.000 2.441 353 M HA 0.135 4.614 4.480 -0.001 0.000 0.192 353 M C 2.110 178.474 176.300 0.108 0.000 1.591 353 M CA 0.712 56.068 55.300 0.093 0.000 1.796 353 M CB -0.471 32.189 32.600 0.101 0.000 1.011 353 M HN -0.131 nan 8.290 nan 0.000 0.839 354 T N -0.299 114.341 114.554 0.144 0.000 2.718 354 T HA -0.239 4.110 4.350 -0.001 0.000 0.266 354 T C 1.035 175.776 174.700 0.070 0.000 1.033 354 T CA 2.077 64.268 62.100 0.152 0.000 1.151 354 T CB -0.290 68.733 68.868 0.259 0.000 0.853 354 T HN 0.331 nan 8.240 nan 0.000 0.466 355 H N -1.247 117.842 119.070 0.033 0.000 2.784 355 H HA 0.651 5.206 4.556 -0.001 0.000 0.273 355 H C 1.716 177.049 175.328 0.008 0.000 1.112 355 H CA 0.155 56.205 56.048 0.003 0.000 1.162 355 H CB -0.041 29.724 29.762 0.005 0.000 1.586 355 H HN 0.324 nan 8.280 nan 0.000 0.548 356 A N 0.649 123.533 122.820 0.107 0.000 1.903 356 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 356 A C 1.960 179.570 177.584 0.044 0.000 1.191 356 A CA 1.852 53.932 52.037 0.073 0.000 0.638 356 A CB -0.675 18.359 19.000 0.057 0.000 0.823 356 A HN 0.484 nan 8.150 nan 0.000 0.451 357 S N -1.001 114.709 115.700 0.017 0.000 2.484 357 S HA 0.298 4.768 4.470 -0.001 0.000 0.256 357 S C 1.343 175.953 174.600 0.017 0.000 1.223 357 S CA 0.189 58.397 58.200 0.014 0.000 1.002 357 S CB -0.479 62.723 63.200 0.003 0.000 1.043 357 S HN 0.588 nan 8.310 nan 0.000 0.517 358 I N 0.491 121.087 120.570 0.043 0.000 2.500 358 I HA -0.201 3.968 4.170 -0.001 0.000 0.236 358 I C -1.477 174.654 176.117 0.023 0.000 0.933 358 I CA 1.302 62.654 61.300 0.086 0.000 1.250 358 I CB -2.563 35.578 38.000 0.236 0.000 0.957 358 I HN 0.435 nan 8.210 nan 0.000 0.405 359 P HA 0.022 nan 4.420 nan 0.000 0.237 359 P C -0.332 176.977 177.300 0.015 0.000 1.149 359 P CA 0.462 63.518 63.100 -0.073 0.000 1.254 359 P CB -0.287 31.369 31.700 -0.072 0.000 1.382 360 V N 0.015 119.941 119.914 0.020 0.000 3.267 360 V HA 0.678 4.798 4.120 -0.001 0.000 0.317 360 V C 1.715 177.829 176.094 0.032 0.000 1.131 360 V CA -0.276 62.044 62.300 0.034 0.000 1.031 360 V CB 0.429 32.273 31.823 0.034 0.000 1.159 360 V HN 0.257 nan 8.190 nan 0.000 0.454 361 A N 0.095 122.934 122.820 0.033 0.000 1.944 361 A HA -0.314 4.005 4.320 -0.001 0.000 0.222 361 A C 2.155 179.754 177.584 0.024 0.000 1.237 361 A CA 3.150 55.204 52.037 0.029 0.000 0.668 361 A CB -0.987 18.027 19.000 0.023 0.000 0.830 361 A HN 1.073 nan 8.150 nan 0.000 0.471 362 R N -0.314 120.201 120.500 0.025 0.000 2.171 362 R HA -0.166 4.173 4.340 -0.001 0.000 0.232 362 R C 2.302 178.615 176.300 0.022 0.000 1.116 362 R CA 2.398 58.514 56.100 0.026 0.000 0.901 362 R CB -0.709 29.611 30.300 0.033 0.000 0.850 362 R HN 0.551 nan 8.270 nan 0.000 0.431 363 R N 0.156 120.666 120.500 0.017 0.000 2.105 363 R HA -0.130 4.209 4.340 -0.001 0.000 0.239 363 R C 2.227 178.526 176.300 -0.001 0.000 1.135 363 R CA 1.599 57.699 56.100 0.000 0.000 0.967 363 R CB -0.426 29.852 30.300 -0.037 0.000 0.861 363 R HN 0.391 nan 8.270 nan 0.000 0.442 364 E N 0.935 121.141 120.200 0.009 0.000 2.284 364 E HA -0.231 4.119 4.350 -0.001 0.000 0.200 364 E C 1.907 178.504 176.600 -0.004 0.000 1.008 364 E CA 1.175 57.578 56.400 0.005 0.000 0.829 364 E CB -0.095 29.620 29.700 0.024 0.000 0.744 364 E HN 0.208 nan 8.360 nan 0.000 0.491 365 Q N 0.728 120.530 119.800 0.003 0.000 2.508 365 Q HA -0.182 4.158 4.340 -0.001 0.000 0.214 365 Q C 1.721 177.718 176.000 -0.004 0.000 0.979 365 Q CA 0.861 56.665 55.803 0.002 0.000 0.911 365 Q CB -0.363 28.381 28.738 0.010 0.000 0.969 365 Q HN 0.476 nan 8.270 nan 0.000 0.504 366 L N -0.265 120.952 121.223 -0.010 0.000 2.211 366 L HA -0.211 4.129 4.340 -0.001 0.000 0.216 366 L C 1.693 178.550 176.870 -0.021 0.000 1.092 366 L CA 1.673 56.504 54.840 -0.015 0.000 0.767 366 L CB -0.373 41.670 42.059 -0.026 0.000 0.894 366 L HN 0.594 nan 8.230 nan 0.000 0.437 367 G N -1.439 107.344 108.800 -0.028 0.000 2.870 367 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 367 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 367 G C 0.193 175.069 174.900 -0.040 0.000 0.973 367 G CA -0.430 44.652 45.100 -0.031 0.000 0.807 367 G HN 0.166 nan 8.290 nan 0.000 0.573 368 I N 3.797 124.335 120.570 -0.054 0.000 2.352 368 I HA 0.322 4.492 4.170 -0.001 0.000 0.303 368 I C 1.267 177.370 176.117 -0.023 0.000 1.194 368 I CA 0.022 61.280 61.300 -0.070 0.000 1.518 368 I CB 0.420 38.330 38.000 -0.151 0.000 1.489 368 I HN 0.245 nan 8.210 nan 0.000 0.702 369 S N 2.707 118.399 115.700 -0.013 0.000 2.562 369 S HA 0.001 4.471 4.470 -0.001 0.000 0.281 369 S C 0.969 175.602 174.600 0.055 0.000 1.333 369 S CA -0.584 57.628 58.200 0.021 0.000 1.052 369 S CB 0.688 63.892 63.200 0.007 0.000 0.884 369 S HN 0.652 nan 8.310 nan 0.000 0.506 370 D N 2.407 122.888 120.400 0.136 0.000 2.390 370 D HA 0.099 4.738 4.640 -0.001 0.000 0.235 370 D C 1.184 177.617 176.300 0.222 0.000 1.040 370 D CA 0.775 54.935 54.000 0.267 0.000 0.923 370 D CB -0.383 40.704 40.800 0.477 0.000 0.886 370 D HN 0.601 nan 8.370 nan 0.000 0.532 371 A N 0.020 122.886 122.820 0.076 0.000 2.307 371 A HA 0.289 4.608 4.320 -0.001 0.000 0.218 371 A C 0.512 178.002 177.584 -0.157 0.000 1.228 371 A CA -0.437 51.585 52.037 -0.025 0.000 0.857 371 A CB -0.387 18.610 19.000 -0.005 0.000 0.897 371 A HN 0.377 nan 8.150 nan 0.000 0.495 372 L N 1.174 122.290 121.223 -0.178 0.000 2.307 372 L HA 0.663 5.002 4.340 -0.001 0.000 0.284 372 L C -0.468 176.215 176.870 -0.311 0.000 1.023 372 L CA -0.836 53.884 54.840 -0.201 0.000 0.810 372 L CB 1.821 43.812 42.059 -0.113 0.000 1.231 372 L HN 0.148 nan 8.230 nan 0.000 0.423 373 V N 2.373 122.128 119.914 -0.265 0.000 2.815 373 V HA 0.628 4.748 4.120 -0.001 0.000 0.314 373 V C -0.488 175.563 176.094 -0.072 0.000 1.064 373 V CA -0.979 61.207 62.300 -0.189 0.000 0.952 373 V CB 1.718 33.461 31.823 -0.133 0.000 1.020 373 V HN 0.943 nan 8.190 nan 0.000 0.439 374 R N 3.533 124.025 120.500 -0.013 0.000 2.215 374 R HA 0.610 4.950 4.340 -0.001 0.000 0.337 374 R C -1.023 175.310 176.300 0.056 0.000 1.010 374 R CA -0.560 55.560 56.100 0.033 0.000 0.871 374 R CB 0.619 30.954 30.300 0.059 0.000 1.134 374 R HN 0.902 nan 8.270 nan 0.000 0.477 375 L N 3.236 124.493 121.223 0.058 0.000 2.319 375 L HA 0.231 4.571 4.340 -0.001 0.000 0.280 375 L C 0.410 177.366 176.870 0.143 0.000 1.099 375 L CA -0.373 54.539 54.840 0.120 0.000 0.828 375 L CB 1.678 43.773 42.059 0.060 0.000 1.150 375 L HN 0.598 nan 8.230 nan 0.000 0.442 376 S N 3.461 119.259 115.700 0.162 0.000 2.695 376 S HA 0.305 4.774 4.470 -0.001 0.000 0.275 376 S C -0.108 174.533 174.600 0.070 0.000 1.203 376 S CA -0.774 57.452 58.200 0.042 0.000 1.061 376 S CB -0.042 63.115 63.200 -0.072 0.000 1.152 376 S HN 0.325 nan 8.310 nan 0.000 0.495 377 V N 5.178 125.164 119.914 0.120 0.000 2.540 377 V HA 0.296 4.415 4.120 -0.001 0.000 0.297 377 V C 1.604 177.751 176.094 0.088 0.000 1.024 377 V CA 0.200 62.573 62.300 0.122 0.000 1.105 377 V CB -0.009 31.911 31.823 0.161 0.000 0.938 377 V HN 0.814 nan 8.190 nan 0.000 0.482 378 G N 3.757 112.534 108.800 -0.039 0.000 2.489 378 G HA2 0.434 4.393 3.960 -0.001 0.000 0.271 378 G HA3 0.434 4.393 3.960 -0.001 0.000 0.271 378 G C 0.500 175.445 174.900 0.075 0.000 1.427 378 G CA -0.192 44.944 45.100 0.059 0.000 1.057 378 G HN 1.009 nan 8.290 nan 0.000 0.532 379 I N -1.892 118.632 120.570 -0.077 0.000 3.927 379 I HA 0.330 4.499 4.170 -0.001 0.000 0.332 379 I C 0.637 176.680 176.117 -0.123 0.000 1.485 379 I CA -0.442 60.757 61.300 -0.170 0.000 1.131 379 I CB 0.179 38.014 38.000 -0.276 0.000 1.092 379 I HN 0.306 nan 8.210 nan 0.000 0.410 380 E N 1.751 121.881 120.200 -0.116 0.000 2.605 380 E HA 0.032 4.381 4.350 -0.001 0.000 0.255 380 E C -0.703 175.844 176.600 -0.087 0.000 1.369 380 E CA -0.456 55.880 56.400 -0.106 0.000 1.017 380 E CB 0.354 29.979 29.700 -0.124 0.000 1.086 380 E HN 0.334 nan 8.360 nan 0.000 0.605 381 D N -0.422 119.932 120.400 -0.076 0.000 2.339 381 D HA 0.002 4.642 4.640 -0.001 0.000 0.256 381 D C 1.049 177.312 176.300 -0.063 0.000 1.214 381 D CA -0.394 53.568 54.000 -0.063 0.000 0.877 381 D CB 0.476 41.243 40.800 -0.056 0.000 1.111 381 D HN 0.387 nan 8.370 nan 0.000 0.478 382 L N 5.274 126.462 121.223 -0.058 0.000 1.991 382 L HA -0.117 4.222 4.340 -0.001 0.000 0.221 382 L C 2.127 178.945 176.870 -0.087 0.000 1.079 382 L CA 2.819 57.622 54.840 -0.061 0.000 0.778 382 L CB -1.235 40.790 42.059 -0.057 0.000 0.893 382 L HN 0.701 nan 8.230 nan 0.000 0.437 383 G N -1.087 107.657 108.800 -0.092 0.000 2.681 383 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.220 383 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.220 383 G C 1.315 176.157 174.900 -0.096 0.000 1.210 383 G CA 1.141 46.177 45.100 -0.108 0.000 0.783 383 G HN 0.525 nan 8.290 nan 0.000 0.609 384 D N 0.255 120.615 120.400 -0.067 0.000 2.158 384 D HA -0.086 4.554 4.640 -0.001 0.000 0.197 384 D C 2.627 178.908 176.300 -0.030 0.000 0.995 384 D CA 0.644 54.614 54.000 -0.050 0.000 0.846 384 D CB -0.271 40.500 40.800 -0.049 0.000 0.941 384 D HN 0.367 nan 8.370 nan 0.000 0.456 385 L N 0.073 121.282 121.223 -0.023 0.000 2.072 385 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 385 L C 2.443 179.350 176.870 0.062 0.000 1.079 385 L CA 0.816 55.699 54.840 0.073 0.000 0.752 385 L CB -0.281 41.828 42.059 0.083 0.000 0.906 385 L HN 0.005 nan 8.230 nan 0.000 0.436 386 R N 0.512 120.952 120.500 -0.100 0.000 2.280 386 R HA -0.040 4.299 4.340 -0.001 0.000 0.207 386 R C 1.672 177.829 176.300 -0.238 0.000 1.043 386 R CA 1.175 57.102 56.100 -0.289 0.000 1.006 386 R CB -0.317 29.604 30.300 -0.631 0.000 0.885 386 R HN 0.234 nan 8.270 nan 0.000 0.467 387 G N -0.355 108.375 108.800 -0.115 0.000 3.126 387 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.224 387 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.224 387 G C 0.509 175.421 174.900 0.019 0.000 1.142 387 G CA 0.173 45.245 45.100 -0.047 0.000 0.759 387 G HN 0.376 nan 8.290 nan 0.000 0.550 388 D N -0.248 120.179 120.400 0.046 0.000 2.355 388 D HA 0.122 4.761 4.640 -0.001 0.000 0.206 388 D C 2.271 178.610 176.300 0.065 0.000 1.010 388 D CA 0.173 54.217 54.000 0.073 0.000 0.875 388 D CB 0.234 41.116 40.800 0.138 0.000 0.966 388 D HN 0.281 nan 8.370 nan 0.000 0.512 389 L N -0.236 121.034 121.223 0.079 0.000 2.185 389 L HA 0.203 4.542 4.340 -0.001 0.000 0.198 389 L C 1.220 178.190 176.870 0.167 0.000 1.079 389 L CA 0.228 55.140 54.840 0.121 0.000 0.780 389 L CB -0.377 41.734 42.059 0.086 0.000 0.955 389 L HN -0.119 nan 8.230 nan 0.000 0.462 390 E N 1.179 121.502 120.200 0.204 0.000 3.057 390 E HA -0.080 4.269 4.350 -0.001 0.000 0.314 390 E C 0.708 177.424 176.600 0.192 0.000 1.433 390 E CA 0.301 56.880 56.400 0.298 0.000 1.546 390 E CB -0.340 29.672 29.700 0.519 0.000 1.224 390 E HN 0.174 nan 8.360 nan 0.000 0.483 391 R N 0.035 120.626 120.500 0.152 0.000 2.424 391 R HA 0.347 4.687 4.340 -0.001 0.000 0.300 391 R C -0.990 175.374 176.300 0.108 0.000 0.730 391 R CA 0.540 56.705 56.100 0.110 0.000 0.969 391 R CB 0.257 30.600 30.300 0.071 0.000 1.669 391 R HN 0.233 nan 8.270 nan 0.000 0.500 392 A N 0.000 122.913 122.820 0.156 0.000 2.254 392 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 392 A CA 0.000 52.159 52.037 0.203 0.000 0.836 392 A CB 0.000 19.131 19.000 0.218 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486