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 2wkt_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLCGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EAAEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGHPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.611 174.600 0.019 0.000 1.055 4 S CA 0.000 58.213 58.200 0.021 0.000 1.107 4 S CB 0.000 63.212 63.200 0.019 0.000 0.593 5 I N 3.603 124.185 120.570 0.019 0.000 2.359 5 I HA 0.675 4.846 4.170 0.001 0.000 0.294 5 I C 0.317 176.440 176.117 0.010 0.000 0.987 5 I CA -1.145 60.163 61.300 0.013 0.000 1.225 5 I CB 1.273 39.279 38.000 0.011 0.000 1.366 5 I HN 0.303 nan 8.210 nan 0.000 0.466 6 V N 4.553 124.469 119.914 0.003 0.000 2.715 6 V HA 0.611 4.731 4.120 0.001 0.000 0.310 6 V C -0.106 175.979 176.094 -0.014 0.000 1.054 6 V CA -0.873 61.426 62.300 -0.002 0.000 0.928 6 V CB 2.262 34.084 31.823 -0.001 0.000 1.007 6 V HN 0.484 nan 8.190 nan 0.000 0.437 7 I N 3.939 124.495 120.570 -0.023 0.000 2.294 7 I HA 0.357 4.528 4.170 0.001 0.000 0.295 7 I C 1.586 177.677 176.117 -0.044 0.000 1.098 7 I CA 0.161 61.438 61.300 -0.039 0.000 1.277 7 I CB 1.190 39.158 38.000 -0.053 0.000 1.434 7 I HN 0.928 nan 8.210 nan 0.000 0.498 8 A N 4.902 127.703 122.820 -0.031 0.000 1.930 8 A HA -0.035 4.285 4.320 0.001 0.000 0.217 8 A C 1.108 178.672 177.584 -0.032 0.000 1.175 8 A CA 1.593 53.614 52.037 -0.025 0.000 0.627 8 A CB -0.118 18.875 19.000 -0.012 0.000 0.815 8 A HN 0.710 nan 8.150 nan 0.000 0.443 9 S N -3.893 111.788 115.700 -0.031 0.000 2.672 9 S HA 0.774 5.244 4.470 0.001 0.000 0.271 9 S C -0.726 173.868 174.600 -0.010 0.000 1.171 9 S CA -0.124 58.065 58.200 -0.018 0.000 0.817 9 S CB 1.059 64.275 63.200 0.027 0.000 1.150 9 S HN 1.820 nan 8.310 nan 0.000 0.478 10 A N -0.285 122.571 122.820 0.060 0.000 2.608 10 A HA 1.001 5.322 4.320 0.001 0.000 0.292 10 A C -0.780 176.952 177.584 0.247 0.000 1.066 10 A CA -0.355 51.747 52.037 0.108 0.000 0.676 10 A CB 0.672 19.701 19.000 0.048 0.000 1.277 10 A HN 2.423 nan 8.150 nan 0.000 0.413 11 A N 0.529 123.451 122.820 0.171 0.000 2.601 11 A HA 0.967 5.288 4.320 0.001 0.000 0.291 11 A C -0.748 176.885 177.584 0.081 0.000 1.075 11 A CA -0.078 52.046 52.037 0.145 0.000 0.671 11 A CB 1.300 20.356 19.000 0.093 0.000 1.277 11 A HN 2.119 nan 8.150 nan 0.000 0.417 12 R N -0.581 119.948 120.500 0.049 0.000 2.680 12 R HA 0.742 5.083 4.340 0.001 0.000 0.269 12 R C -0.312 175.996 176.300 0.013 0.000 1.026 12 R CA -0.014 56.096 56.100 0.018 0.000 0.889 12 R CB 1.042 31.348 30.300 0.010 0.000 1.241 12 R HN 1.006 nan 8.270 nan 0.000 0.463 13 T N -0.495 114.061 114.554 0.003 0.000 2.766 13 T HA 0.512 4.863 4.350 0.001 0.000 0.295 13 T C 0.826 175.561 174.700 0.059 0.000 1.024 13 T CA -0.279 61.846 62.100 0.041 0.000 1.018 13 T CB 0.834 69.692 68.868 -0.017 0.000 1.002 13 T HN 0.777 nan 8.240 nan 0.000 0.532 14 A N 1.039 123.931 122.820 0.121 0.000 2.466 14 A HA 0.497 4.817 4.320 0.001 0.000 0.238 14 A C 0.340 177.983 177.584 0.098 0.000 1.074 14 A CA -0.718 51.361 52.037 0.070 0.000 0.774 14 A CB -0.159 18.889 19.000 0.079 0.000 1.015 14 A HN 0.844 nan 8.150 nan 0.000 0.498 15 V N 1.920 121.832 119.914 -0.003 0.000 2.461 15 V HA 0.471 4.592 4.120 0.001 0.000 0.275 15 V C 1.158 177.215 176.094 -0.061 0.000 1.047 15 V CA 0.160 62.459 62.300 -0.003 0.000 0.955 15 V CB 0.874 32.666 31.823 -0.051 0.000 0.988 15 V HN 1.084 nan 8.190 nan 0.000 0.471 16 G N 3.270 112.013 108.800 -0.096 0.000 2.420 16 G HA2 0.424 4.385 3.960 0.001 0.000 0.284 16 G HA3 0.424 4.385 3.960 0.001 0.000 0.284 16 G C 0.048 174.874 174.900 -0.123 0.000 1.177 16 G CA -0.291 44.641 45.100 -0.279 0.000 0.841 16 G HN 0.660 nan 8.290 nan 0.000 0.527 17 S N 0.101 115.752 115.700 -0.082 0.000 2.584 17 S HA 0.200 4.671 4.470 0.001 0.000 0.270 17 S C -0.050 174.580 174.600 0.050 0.000 1.346 17 S CA -0.338 57.875 58.200 0.021 0.000 1.018 17 S CB 0.613 63.889 63.200 0.126 0.000 0.899 17 S HN 0.421 nan 8.310 nan 0.000 0.542 18 F N 3.381 123.285 119.950 -0.076 0.000 2.578 18 F HA 0.078 4.606 4.527 0.001 0.000 0.381 18 F C 1.078 176.870 175.800 -0.014 0.000 1.069 18 F CA -0.317 57.656 58.000 -0.046 0.000 1.231 18 F CB -0.532 38.449 39.000 -0.032 0.000 1.086 18 F HN 0.616 nan 8.300 nan 0.000 0.564 19 N N 2.750 121.178 118.700 -0.454 0.000 2.708 19 N HA -0.202 4.538 4.740 0.001 0.000 0.249 19 N C 0.359 175.776 175.510 -0.155 0.000 1.097 19 N CA 0.939 53.775 53.050 -0.356 0.000 0.710 19 N CB -1.306 36.918 38.487 -0.439 0.000 1.032 19 N HN 0.834 nan 8.380 nan 0.000 0.551 20 G N -0.276 108.456 108.800 -0.114 0.000 3.441 20 G HA2 0.560 4.521 3.960 0.001 0.000 0.195 20 G HA3 0.560 4.521 3.960 0.001 0.000 0.195 20 G C 1.155 175.973 174.900 -0.137 0.000 1.633 20 G CA 0.491 45.530 45.100 -0.101 0.000 0.895 20 G HN 0.293 nan 8.290 nan 0.000 0.654 21 A N -0.567 122.094 122.820 -0.265 0.000 1.948 21 A HA 0.068 4.389 4.320 0.001 0.000 0.220 21 A C 1.418 178.894 177.584 -0.179 0.000 1.177 21 A CA 1.568 53.392 52.037 -0.354 0.000 0.636 21 A CB -0.480 18.093 19.000 -0.712 0.000 0.815 21 A HN 0.355 nan 8.150 nan 0.000 0.449 22 F N -1.209 118.713 119.950 -0.048 0.000 2.791 22 F HA 0.526 5.054 4.527 0.001 0.000 0.308 22 F C 1.864 177.613 175.800 -0.084 0.000 1.138 22 F CA -0.966 56.985 58.000 -0.082 0.000 1.294 22 F CB -0.986 37.918 39.000 -0.159 0.000 0.975 22 F HN 0.203 nan 8.300 nan 0.000 0.512 23 A N 0.662 123.511 122.820 0.048 0.000 1.997 23 A HA -0.232 4.088 4.320 0.001 0.000 0.221 23 A C 1.805 179.382 177.584 -0.013 0.000 1.172 23 A CA 2.101 54.118 52.037 -0.034 0.000 0.645 23 A CB -0.379 18.581 19.000 -0.068 0.000 0.813 23 A HN 0.419 nan 8.150 nan 0.000 0.454 24 N N -1.069 117.648 118.700 0.028 0.000 2.238 24 N HA 0.066 4.806 4.740 0.001 0.000 0.235 24 N C -0.808 174.715 175.510 0.021 0.000 1.209 24 N CA 0.124 53.186 53.050 0.020 0.000 0.879 24 N CB 0.805 39.306 38.487 0.023 0.000 1.136 24 N HN 0.209 nan 8.380 nan 0.000 0.517 25 T N 3.223 117.787 114.554 0.016 0.000 2.738 25 T HA 0.307 4.657 4.350 0.001 0.000 0.298 25 T C -2.506 172.109 174.700 -0.140 0.000 0.962 25 T CA -1.260 60.800 62.100 -0.066 0.000 0.972 25 T CB 1.722 70.488 68.868 -0.171 0.000 0.928 25 T HN -0.024 nan 8.240 nan 0.000 0.474 26 P HA 0.165 nan 4.420 nan 0.000 0.266 26 P C 0.671 177.814 177.300 -0.261 0.000 1.195 26 P CA -0.211 62.794 63.100 -0.159 0.000 0.768 26 P CB 0.511 32.103 31.700 -0.181 0.000 0.838 27 A N 3.704 126.439 122.820 -0.141 0.000 1.917 27 A HA -0.259 4.061 4.320 0.001 0.000 0.219 27 A C 1.955 179.446 177.584 -0.157 0.000 1.182 27 A CA 1.927 53.878 52.037 -0.143 0.000 0.633 27 A CB -1.730 17.239 19.000 -0.052 0.000 0.819 27 A HN 0.810 nan 8.150 nan 0.000 0.448 28 H N -1.090 117.939 119.070 -0.067 0.000 2.456 28 H HA -0.025 4.531 4.556 0.001 0.000 0.296 28 H C 1.575 176.881 175.328 -0.037 0.000 1.079 28 H CA 1.339 57.357 56.048 -0.049 0.000 1.322 28 H CB -0.427 29.319 29.762 -0.026 0.000 1.388 28 H HN 0.643 nan 8.280 nan 0.000 0.538 29 E N 1.002 120.874 120.200 -0.547 0.000 2.051 29 E HA -0.090 4.261 4.350 0.001 0.000 0.192 29 E C 2.628 179.181 176.600 -0.078 0.000 0.991 29 E CA 1.147 57.410 56.400 -0.228 0.000 0.799 29 E CB 0.069 29.660 29.700 -0.182 0.000 0.748 29 E HN 0.429 nan 8.360 nan 0.000 0.449 30 L N 0.214 121.199 121.223 -0.397 0.000 2.083 30 L HA -0.113 4.227 4.340 0.001 0.000 0.209 30 L C 2.602 179.364 176.870 -0.179 0.000 1.083 30 L CA 1.174 55.717 54.840 -0.495 0.000 0.752 30 L CB -0.731 40.938 42.059 -0.651 0.000 0.899 30 L HN 0.231 nan 8.230 nan 0.000 0.433 31 G N -0.243 108.480 108.800 -0.127 0.000 2.418 31 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 31 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 31 G C 1.777 176.672 174.900 -0.008 0.000 1.158 31 G CA 0.849 45.916 45.100 -0.055 0.000 0.771 31 G HN 0.468 nan 8.290 nan 0.000 0.545 32 A N 0.192 123.028 122.820 0.026 0.000 1.930 32 A HA 0.029 4.349 4.320 0.001 0.000 0.217 32 A C 2.526 180.138 177.584 0.047 0.000 1.175 32 A CA 2.335 54.400 52.037 0.048 0.000 0.627 32 A CB -0.869 18.178 19.000 0.077 0.000 0.815 32 A HN 0.284 nan 8.150 nan 0.000 0.443 33 T N -0.308 114.295 114.554 0.082 0.000 2.684 33 T HA -0.130 4.220 4.350 0.001 0.000 0.267 33 T C 1.827 176.558 174.700 0.051 0.000 1.036 33 T CA 1.684 63.839 62.100 0.092 0.000 1.148 33 T CB -0.393 68.616 68.868 0.234 0.000 0.863 33 T HN 0.142 nan 8.240 nan 0.000 0.436 34 V N 1.021 120.952 119.914 0.028 0.000 2.515 34 V HA -0.061 4.060 4.120 0.001 0.000 0.250 34 V C 2.293 178.393 176.094 0.011 0.000 1.058 34 V CA 1.143 63.451 62.300 0.014 0.000 1.064 34 V CB -0.538 31.279 31.823 -0.010 0.000 0.675 34 V HN 0.488 nan 8.190 nan 0.000 0.461 35 I N -0.380 120.193 120.570 0.004 0.000 2.202 35 I HA -0.184 3.987 4.170 0.001 0.000 0.242 35 I C 2.564 178.686 176.117 0.007 0.000 1.091 35 I CA 1.408 62.708 61.300 -0.001 0.000 1.368 35 I CB -0.382 37.615 38.000 -0.005 0.000 1.058 35 I HN 0.236 nan 8.210 nan 0.000 0.410 36 S N 0.861 116.569 115.700 0.013 0.000 2.370 36 S HA -0.199 4.272 4.470 0.001 0.000 0.226 36 S C 2.243 176.852 174.600 0.016 0.000 1.033 36 S CA 1.415 59.623 58.200 0.012 0.000 1.011 36 S CB -0.387 62.819 63.200 0.010 0.000 0.852 36 S HN 0.544 nan 8.310 nan 0.000 0.457 37 A N 1.518 124.351 122.820 0.022 0.000 1.877 37 A HA -0.087 4.234 4.320 0.001 0.000 0.216 37 A C 2.470 180.076 177.584 0.038 0.000 1.186 37 A CA 1.876 53.932 52.037 0.031 0.000 0.620 37 A CB -1.140 17.883 19.000 0.038 0.000 0.822 37 A HN 0.576 nan 8.150 nan 0.000 0.443 38 V N -2.593 117.342 119.914 0.035 0.000 2.515 38 V HA -0.149 3.972 4.120 0.001 0.000 0.250 38 V C 2.167 178.275 176.094 0.024 0.000 1.058 38 V CA 1.668 63.990 62.300 0.035 0.000 1.064 38 V CB -0.959 30.878 31.823 0.023 0.000 0.675 38 V HN 0.244 nan 8.190 nan 0.000 0.461 39 L N 0.988 122.221 121.223 0.016 0.000 1.994 39 L HA -0.116 4.224 4.340 0.001 0.000 0.208 39 L C 2.793 179.673 176.870 0.016 0.000 1.071 39 L CA 2.453 57.301 54.840 0.012 0.000 0.745 39 L CB -1.455 40.608 42.059 0.008 0.000 0.892 39 L HN 0.627 nan 8.230 nan 0.000 0.431 40 E N -0.157 120.054 120.200 0.019 0.000 2.038 40 E HA -0.265 4.085 4.350 0.001 0.000 0.195 40 E C 2.313 178.929 176.600 0.027 0.000 1.000 40 E CA 1.491 57.903 56.400 0.020 0.000 0.803 40 E CB -0.011 29.701 29.700 0.019 0.000 0.750 40 E HN 0.417 nan 8.360 nan 0.000 0.448 41 R N -0.050 120.473 120.500 0.038 0.000 2.091 41 R HA -0.103 4.238 4.340 0.001 0.000 0.238 41 R C 2.370 178.694 176.300 0.041 0.000 1.136 41 R CA 1.346 57.478 56.100 0.052 0.000 0.959 41 R CB -0.311 30.040 30.300 0.084 0.000 0.856 41 R HN 0.197 nan 8.270 nan 0.000 0.437 42 A N 0.072 122.909 122.820 0.030 0.000 2.169 42 A HA 0.185 4.506 4.320 0.001 0.000 0.212 42 A C 1.401 178.994 177.584 0.015 0.000 1.153 42 A CA 0.723 52.772 52.037 0.019 0.000 0.756 42 A CB -0.129 18.878 19.000 0.012 0.000 0.813 42 A HN 0.461 nan 8.150 nan 0.000 0.471 43 G N -1.007 107.802 108.800 0.016 0.000 2.198 43 G HA2 -0.152 3.808 3.960 0.001 0.000 0.257 43 G HA3 -0.152 3.808 3.960 0.001 0.000 0.257 43 G C -0.032 174.874 174.900 0.009 0.000 1.042 43 G CA 0.282 45.390 45.100 0.012 0.000 0.791 43 G HN 0.833 nan 8.290 nan 0.000 0.502 44 V N 0.219 120.139 119.914 0.009 0.000 2.483 44 V HA 0.802 4.923 4.120 0.001 0.000 0.295 44 V C 0.833 176.930 176.094 0.006 0.000 1.035 44 V CA -0.430 61.873 62.300 0.006 0.000 0.896 44 V CB 1.732 33.558 31.823 0.005 0.000 0.986 44 V HN 1.118 nan 8.190 nan 0.000 0.447 45 A N 3.393 126.215 122.820 0.005 0.000 2.401 45 A HA 0.636 4.956 4.320 0.001 0.000 0.259 45 A C 1.480 179.066 177.584 0.004 0.000 1.103 45 A CA 0.309 52.349 52.037 0.004 0.000 0.789 45 A CB 0.666 19.668 19.000 0.004 0.000 1.035 45 A HN 1.371 nan 8.150 nan 0.000 0.491 46 A N 2.743 125.566 122.820 0.003 0.000 1.948 46 A HA -0.032 4.289 4.320 0.001 0.000 0.220 46 A C 2.097 179.683 177.584 0.003 0.000 1.177 46 A CA 2.232 54.271 52.037 0.003 0.000 0.636 46 A CB -1.061 17.940 19.000 0.003 0.000 0.815 46 A HN 1.518 nan 8.150 nan 0.000 0.449 47 G N -0.770 108.032 108.800 0.004 0.000 2.708 47 G HA2 -0.053 3.907 3.960 0.001 0.000 0.210 47 G HA3 -0.053 3.907 3.960 0.001 0.000 0.210 47 G C 1.116 176.019 174.900 0.005 0.000 1.141 47 G CA 0.762 45.865 45.100 0.005 0.000 0.788 47 G HN 0.742 nan 8.290 nan 0.000 0.531 48 E N -0.311 119.892 120.200 0.005 0.000 2.452 48 E HA 0.098 4.449 4.350 0.001 0.000 0.197 48 E C 0.100 176.703 176.600 0.005 0.000 1.022 48 E CA -0.267 56.136 56.400 0.005 0.000 0.890 48 E CB 0.771 30.474 29.700 0.004 0.000 0.918 48 E HN 0.192 nan 8.360 nan 0.000 0.496 49 V N 2.908 122.824 119.914 0.004 0.000 2.470 49 V HA -0.022 4.099 4.120 0.001 0.000 0.276 49 V C 0.870 176.969 176.094 0.008 0.000 1.040 49 V CA 0.245 62.546 62.300 0.002 0.000 1.008 49 V CB 0.748 32.570 31.823 -0.003 0.000 0.990 49 V HN 0.179 nan 8.190 nan 0.000 0.477 50 N N 3.307 122.014 118.700 0.012 0.000 2.109 50 N HA -0.009 4.732 4.740 0.001 0.000 0.188 50 N C 0.549 176.078 175.510 0.033 0.000 1.034 50 N CA 0.866 53.929 53.050 0.023 0.000 0.846 50 N CB 0.328 38.831 38.487 0.027 0.000 1.010 50 N HN 0.787 nan 8.380 nan 0.000 0.425 51 E N -0.258 119.958 120.200 0.027 0.000 2.356 51 E HA 0.402 4.752 4.350 0.001 0.000 0.275 51 E C -1.788 174.792 176.600 -0.032 0.000 0.904 51 E CA -0.590 55.830 56.400 0.034 0.000 0.757 51 E CB 2.252 32.016 29.700 0.106 0.000 1.232 51 E HN -0.241 nan 8.360 nan 0.000 0.442 52 V N 4.190 124.061 119.914 -0.072 0.000 2.459 52 V HA 0.497 4.617 4.120 0.001 0.000 0.295 52 V C -0.245 175.654 176.094 -0.325 0.000 1.029 52 V CA -0.590 61.623 62.300 -0.146 0.000 0.874 52 V CB 1.364 33.128 31.823 -0.098 0.000 0.985 52 V HN 0.546 nan 8.190 nan 0.000 0.438 53 I N 5.817 126.139 120.570 -0.414 0.000 2.411 53 I HA 0.476 4.647 4.170 0.001 0.000 0.284 53 I C -0.857 174.978 176.117 -0.470 0.000 1.012 53 I CA -0.233 60.633 61.300 -0.723 0.000 1.119 53 I CB 1.540 39.038 38.000 -0.835 0.000 1.261 53 I HN 0.335 nan 8.210 nan 0.000 0.448 54 L N 5.652 126.627 121.223 -0.413 0.000 2.349 54 L HA 0.577 4.918 4.340 0.001 0.000 0.278 54 L C 0.604 177.359 176.870 -0.192 0.000 0.996 54 L CA -0.695 54.002 54.840 -0.239 0.000 0.825 54 L CB 1.924 43.891 42.059 -0.153 0.000 1.243 54 L HN 0.649 nan 8.230 nan 0.000 0.412 55 G N 2.311 111.019 108.800 -0.154 0.000 2.406 55 G HA2 0.385 4.346 3.960 0.001 0.000 0.251 55 G HA3 0.385 4.346 3.960 0.001 0.000 0.251 55 G C -0.744 174.117 174.900 -0.065 0.000 1.271 55 G CA 0.067 45.109 45.100 -0.096 0.000 0.859 55 G HN 0.652 nan 8.290 nan 0.000 0.540 56 Q N 1.386 121.165 119.800 -0.035 0.000 2.507 56 Q HA 0.219 4.560 4.340 0.001 0.000 0.248 56 Q C -0.857 175.142 176.000 -0.002 0.000 0.941 56 Q CA -0.726 55.065 55.803 -0.021 0.000 1.003 56 Q CB 1.607 30.334 28.738 -0.018 0.000 1.517 56 Q HN 0.307 nan 8.270 nan 0.000 0.443 57 V N 3.756 123.670 119.914 -0.000 0.000 3.263 57 V HA 0.153 4.273 4.120 0.001 0.000 0.248 57 V C 0.548 176.648 176.094 0.011 0.000 1.145 57 V CA 0.580 62.885 62.300 0.008 0.000 1.107 57 V CB 0.394 32.221 31.823 0.008 0.000 0.797 57 V HN 0.673 nan 8.190 nan 0.000 0.467 58 L N 2.495 123.725 121.223 0.012 0.000 2.679 58 L HA 0.348 4.689 4.340 0.001 0.000 0.238 58 L C -1.800 175.084 176.870 0.024 0.000 1.330 58 L CA -0.702 54.149 54.840 0.018 0.000 0.935 58 L CB 1.249 43.323 42.059 0.024 0.000 1.243 58 L HN 0.135 nan 8.230 nan 0.000 0.484 59 P HA 0.083 nan 4.420 nan 0.000 0.261 59 P C 0.659 177.980 177.300 0.034 0.000 1.268 59 P CA 0.055 63.173 63.100 0.030 0.000 0.833 59 P CB 0.539 32.255 31.700 0.027 0.000 1.231 60 A N 0.828 123.667 122.820 0.031 0.000 2.567 60 A HA 0.371 4.692 4.320 0.001 0.000 0.240 60 A C 1.579 179.188 177.584 0.041 0.000 1.053 60 A CA 0.926 52.983 52.037 0.034 0.000 0.755 60 A CB -1.250 17.770 19.000 0.032 0.000 0.978 60 A HN 0.387 nan 8.150 nan 0.000 0.507 61 G N 1.487 110.311 108.800 0.040 0.000 2.184 61 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 61 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 61 G C 0.665 175.593 174.900 0.046 0.000 0.975 61 G CA 0.915 46.041 45.100 0.043 0.000 0.642 61 G HN 1.019 nan 8.290 nan 0.000 0.536 62 E N 0.145 120.374 120.200 0.047 0.000 2.474 62 E HA 0.430 4.781 4.350 0.001 0.000 0.194 62 E C 1.420 178.039 176.600 0.031 0.000 1.041 62 E CA 1.122 57.559 56.400 0.062 0.000 0.874 62 E CB -0.070 29.682 29.700 0.086 0.000 0.914 62 E HN 1.773 nan 8.360 nan 0.000 0.498 63 G N 0.716 109.525 108.800 0.017 0.000 2.631 63 G HA2 -0.257 3.703 3.960 0.001 0.000 0.504 63 G HA3 -0.257 3.703 3.960 0.001 0.000 0.504 63 G C -0.938 173.955 174.900 -0.012 0.000 1.306 63 G CA -0.499 44.599 45.100 -0.003 0.000 0.897 63 G HN 0.237 nan 8.290 nan 0.000 0.520 64 Q N 0.370 120.160 119.800 -0.018 0.000 2.320 64 Q HA 0.108 4.449 4.340 0.001 0.000 0.311 64 Q C 1.012 176.999 176.000 -0.022 0.000 1.083 64 Q CA 0.952 56.747 55.803 -0.014 0.000 1.001 64 Q CB 0.046 28.775 28.738 -0.014 0.000 1.074 64 Q HN 0.926 nan 8.270 nan 0.000 0.379 65 N N 3.703 122.403 118.700 0.000 0.000 2.652 65 N HA -0.171 4.569 4.740 0.001 0.000 0.281 65 N C -2.325 173.174 175.510 -0.018 0.000 1.084 65 N CA 0.027 53.084 53.050 0.010 0.000 0.775 65 N CB -0.079 38.425 38.487 0.030 0.000 0.923 65 N HN 0.392 nan 8.380 nan 0.000 0.558 66 P HA -0.179 nan 4.420 nan 0.000 0.217 66 P C 1.174 178.466 177.300 -0.014 0.000 1.148 66 P CA 2.164 65.246 63.100 -0.029 0.000 0.834 66 P CB -0.038 31.685 31.700 0.038 0.000 0.783 67 A N 0.011 122.826 122.820 -0.009 0.000 1.883 67 A HA -0.257 4.064 4.320 0.001 0.000 0.217 67 A C 2.414 179.984 177.584 -0.023 0.000 1.186 67 A CA 2.299 54.320 52.037 -0.025 0.000 0.624 67 A CB -1.155 17.816 19.000 -0.048 0.000 0.822 67 A HN 0.066 nan 8.150 nan 0.000 0.444 68 R N 0.004 120.496 120.500 -0.014 0.000 2.115 68 R HA -0.078 4.263 4.340 0.001 0.000 0.230 68 R C 2.149 178.424 176.300 -0.041 0.000 1.111 68 R CA 1.852 57.944 56.100 -0.013 0.000 0.976 68 R CB -0.581 29.721 30.300 0.003 0.000 0.870 68 R HN 0.701 nan 8.270 nan 0.000 0.445 69 Q N -0.295 119.450 119.800 -0.091 0.000 2.061 69 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 69 Q C 2.157 178.130 176.000 -0.045 0.000 0.984 69 Q CA 1.806 57.505 55.803 -0.174 0.000 0.846 69 Q CB -0.288 28.142 28.738 -0.514 0.000 0.902 69 Q HN 0.475 nan 8.270 nan 0.000 0.421 70 A N 1.380 124.216 122.820 0.027 0.000 1.858 70 A HA -0.149 4.172 4.320 0.001 0.000 0.216 70 A C 2.374 179.981 177.584 0.038 0.000 1.190 70 A CA 1.730 53.818 52.037 0.086 0.000 0.617 70 A CB -0.953 18.084 19.000 0.062 0.000 0.827 70 A HN 0.407 nan 8.150 nan 0.000 0.443 71 A N -0.804 122.020 122.820 0.007 0.000 1.908 71 A HA -0.172 4.148 4.320 0.001 0.000 0.218 71 A C 2.250 179.838 177.584 0.007 0.000 1.181 71 A CA 2.109 54.146 52.037 -0.000 0.000 0.627 71 A CB -0.513 18.482 19.000 -0.010 0.000 0.818 71 A HN 0.470 nan 8.150 nan 0.000 0.445 72 M N -0.862 118.740 119.600 0.004 0.000 2.077 72 M HA -0.111 4.370 4.480 0.001 0.000 0.261 72 M C 2.209 178.519 176.300 0.017 0.000 1.070 72 M CA 2.018 57.321 55.300 0.005 0.000 1.125 72 M CB -1.089 31.507 32.600 -0.007 0.000 1.339 72 M HN 0.510 nan 8.290 nan 0.000 0.409 73 K N 0.409 120.830 120.400 0.036 0.000 2.103 73 K HA -0.096 4.225 4.320 0.001 0.000 0.207 73 K C 1.817 178.439 176.600 0.037 0.000 1.048 73 K CA 1.544 57.863 56.287 0.053 0.000 0.930 73 K CB -0.091 32.477 32.500 0.112 0.000 0.716 73 K HN 0.278 nan 8.250 nan 0.000 0.444 74 A N -0.349 122.491 122.820 0.034 0.000 2.172 74 A HA 0.079 4.400 4.320 0.001 0.000 0.216 74 A C 1.536 179.127 177.584 0.012 0.000 1.154 74 A CA 1.345 53.395 52.037 0.021 0.000 0.701 74 A CB -0.513 18.497 19.000 0.017 0.000 0.789 74 A HN 0.602 nan 8.150 nan 0.000 0.465 75 G N -2.332 106.475 108.800 0.011 0.000 2.179 75 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 75 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 75 G C 0.204 175.107 174.900 0.005 0.000 0.990 75 G CA -0.066 45.038 45.100 0.007 0.000 0.646 75 G HN 0.797 nan 8.290 nan 0.000 0.517 76 V N 2.678 122.595 119.914 0.005 0.000 2.617 76 V HA 0.287 4.407 4.120 0.001 0.000 0.304 76 V C -1.102 174.995 176.094 0.005 0.000 1.040 76 V CA -0.256 62.046 62.300 0.004 0.000 1.149 76 V CB 0.707 32.531 31.823 0.002 0.000 0.914 76 V HN 0.237 nan 8.190 nan 0.000 0.487 77 P HA 0.131 nan 4.420 nan 0.000 0.274 77 P C 0.703 178.007 177.300 0.007 0.000 1.231 77 P CA -0.444 62.660 63.100 0.006 0.000 0.790 77 P CB 0.374 32.078 31.700 0.006 0.000 0.951 78 Q N 0.844 120.648 119.800 0.006 0.000 2.325 78 Q HA -0.265 4.075 4.340 0.001 0.000 0.211 78 Q C 0.749 176.755 176.000 0.010 0.000 0.988 78 Q CA 1.696 57.504 55.803 0.007 0.000 0.887 78 Q CB -0.575 28.166 28.738 0.005 0.000 0.915 78 Q HN 0.365 nan 8.270 nan 0.000 0.440 79 E N 1.400 121.606 120.200 0.010 0.000 2.204 79 E HA 0.060 4.411 4.350 0.001 0.000 0.194 79 E C 0.630 177.240 176.600 0.017 0.000 0.989 79 E CA 0.953 57.360 56.400 0.012 0.000 0.824 79 E CB -0.114 29.592 29.700 0.010 0.000 0.756 79 E HN 0.546 nan 8.360 nan 0.000 0.477 80 A N 0.316 123.147 122.820 0.018 0.000 2.280 80 A HA 0.482 4.803 4.320 0.001 0.000 0.268 80 A C 0.579 178.185 177.584 0.037 0.000 1.111 80 A CA 0.057 52.109 52.037 0.026 0.000 0.814 80 A CB 0.229 19.241 19.000 0.020 0.000 1.093 80 A HN 0.198 nan 8.150 nan 0.000 0.498 81 T N -2.837 111.752 114.554 0.058 0.000 2.926 81 T HA 0.841 5.191 4.350 0.001 0.000 0.289 81 T C -0.446 174.322 174.700 0.112 0.000 1.054 81 T CA -0.135 62.020 62.100 0.091 0.000 1.015 81 T CB 1.730 70.669 68.868 0.119 0.000 1.167 81 T HN 2.157 nan 8.240 nan 0.000 0.526 82 A N 0.890 123.811 122.820 0.167 0.000 2.594 82 A HA 0.721 5.041 4.320 0.001 0.000 0.296 82 A C -1.907 175.833 177.584 0.259 0.000 1.056 82 A CA -1.111 50.999 52.037 0.122 0.000 0.693 82 A CB 1.218 20.234 19.000 0.027 0.000 1.278 82 A HN 1.238 nan 8.150 nan 0.000 0.408 83 W N 0.832 122.120 121.300 -0.019 0.000 3.146 83 W HA 0.702 5.362 4.660 0.001 0.000 0.319 83 W C -0.303 176.204 176.519 -0.020 0.000 1.258 83 W CA -0.775 56.559 57.345 -0.020 0.000 1.189 83 W CB 0.851 30.299 29.460 -0.020 0.000 1.412 83 W HN 1.332 nan 8.180 nan 0.000 0.567 84 G N 1.282 110.192 108.800 0.183 0.000 2.509 84 G HA2 0.831 4.791 3.960 0.001 0.000 0.328 84 G HA3 0.831 4.791 3.960 0.001 0.000 0.328 84 G C -1.138 173.886 174.900 0.206 0.000 1.194 84 G CA -0.993 44.141 45.100 0.057 0.000 0.967 84 G HN 0.604 nan 8.290 nan 0.000 0.488 85 M N -0.628 119.025 119.600 0.089 0.000 2.578 85 M HA 0.573 5.054 4.480 0.001 0.000 0.276 85 M C -1.518 174.821 176.300 0.065 0.000 1.245 85 M CA -1.296 54.096 55.300 0.152 0.000 0.871 85 M CB 2.099 34.855 32.600 0.259 0.000 1.722 85 M HN 0.334 nan 8.290 nan 0.000 0.473 86 N N 1.120 119.864 118.700 0.073 0.000 2.531 86 N HA 0.362 5.102 4.740 0.001 0.000 0.268 86 N C -1.607 173.934 175.510 0.052 0.000 1.023 86 N CA -0.084 52.994 53.050 0.046 0.000 0.896 86 N CB 1.652 40.164 38.487 0.041 0.000 1.233 86 N HN 0.944 nan 8.380 nan 0.000 0.512 87 Q N 5.268 125.095 119.800 0.045 0.000 2.211 87 Q HA 0.352 4.693 4.340 0.001 0.000 0.301 87 Q C 0.342 176.373 176.000 0.053 0.000 0.884 87 Q CA -0.345 55.491 55.803 0.056 0.000 1.115 87 Q CB -0.121 28.654 28.738 0.062 0.000 1.217 87 Q HN 0.778 nan 8.270 nan 0.000 0.451 88 L N -1.965 119.284 121.223 0.043 0.000 6.328 88 L HA -0.541 3.800 4.340 0.001 0.000 0.053 88 L C 1.374 178.273 176.870 0.048 0.000 2.032 88 L CA 1.423 56.289 54.840 0.044 0.000 1.701 88 L CB -1.576 40.515 42.059 0.053 0.000 2.706 88 L HN 0.445 nan 8.230 nan 0.000 1.012 89 C N 0.212 119.560 119.300 0.080 0.000 2.409 89 C HA -0.036 4.425 4.460 0.001 0.000 0.288 89 C C 2.154 177.184 174.990 0.067 0.000 1.395 89 C CA 0.689 59.775 59.018 0.113 0.000 1.792 89 C CB -1.821 26.041 27.740 0.202 0.000 1.847 89 C HN 0.826 nan 8.230 nan 0.000 0.534 90 G N -0.112 108.725 108.800 0.060 0.000 3.088 90 G HA2 0.072 4.033 3.960 0.001 0.000 0.217 90 G HA3 0.072 4.033 3.960 0.001 0.000 0.217 90 G C 1.485 176.395 174.900 0.016 0.000 1.159 90 G CA 0.468 45.598 45.100 0.050 0.000 0.760 90 G HN 0.501 nan 8.290 nan 0.000 0.550 91 S N 1.055 116.756 115.700 0.002 0.000 2.359 91 S HA -0.127 4.344 4.470 0.001 0.000 0.223 91 S C 2.567 177.134 174.600 -0.055 0.000 1.039 91 S CA 1.394 59.581 58.200 -0.021 0.000 1.042 91 S CB -0.593 62.595 63.200 -0.020 0.000 0.915 91 S HN 0.485 nan 8.310 nan 0.000 0.439 92 G N 1.029 109.791 108.800 -0.064 0.000 2.475 92 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 92 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 92 G C 1.363 176.218 174.900 -0.075 0.000 1.125 92 G CA 1.019 46.071 45.100 -0.079 0.000 0.755 92 G HN 0.421 nan 8.290 nan 0.000 0.565 93 L N -0.242 120.949 121.223 -0.053 0.000 2.253 93 L HA 0.398 4.738 4.340 0.001 0.000 0.205 93 L C 2.598 179.418 176.870 -0.084 0.000 1.078 93 L CA 1.106 55.918 54.840 -0.047 0.000 0.805 93 L CB -0.375 41.683 42.059 -0.001 0.000 0.963 93 L HN 0.120 nan 8.230 nan 0.000 0.459 94 R N 0.505 120.957 120.500 -0.080 0.000 2.105 94 R HA -0.100 4.240 4.340 0.001 0.000 0.239 94 R C 2.157 178.337 176.300 -0.200 0.000 1.135 94 R CA 1.702 57.715 56.100 -0.145 0.000 0.967 94 R CB -0.874 29.384 30.300 -0.070 0.000 0.861 94 R HN 0.471 nan 8.270 nan 0.000 0.442 95 A N -0.363 122.358 122.820 -0.166 0.000 1.917 95 A HA -0.155 4.165 4.320 0.001 0.000 0.219 95 A C 2.311 179.764 177.584 -0.217 0.000 1.182 95 A CA 1.991 53.898 52.037 -0.215 0.000 0.633 95 A CB -0.796 18.073 19.000 -0.219 0.000 0.819 95 A HN 0.199 nan 8.150 nan 0.000 0.448 96 V N -0.392 119.413 119.914 -0.182 0.000 2.427 96 V HA -0.207 3.913 4.120 0.001 0.000 0.248 96 V C 2.987 178.956 176.094 -0.209 0.000 1.051 96 V CA 1.840 64.043 62.300 -0.161 0.000 1.048 96 V CB -1.173 30.581 31.823 -0.113 0.000 0.666 96 V HN 0.628 nan 8.190 nan 0.000 0.456 97 A N -0.259 122.370 122.820 -0.319 0.000 1.930 97 A HA -0.074 4.246 4.320 0.001 0.000 0.217 97 A C 2.185 179.478 177.584 -0.484 0.000 1.175 97 A CA 1.416 53.118 52.037 -0.558 0.000 0.627 97 A CB -0.432 17.914 19.000 -1.090 0.000 0.815 97 A HN 0.505 nan 8.150 nan 0.000 0.443 98 L N -0.786 120.230 121.223 -0.345 0.000 2.093 98 L HA -0.070 4.271 4.340 0.001 0.000 0.208 98 L C 2.749 179.579 176.870 -0.066 0.000 1.085 98 L CA 0.985 55.732 54.840 -0.155 0.000 0.755 98 L CB -0.580 41.472 42.059 -0.012 0.000 0.904 98 L HN 0.472 nan 8.230 nan 0.000 0.435 99 G N -0.641 108.093 108.800 -0.109 0.000 2.403 99 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 99 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 99 G C 1.614 176.483 174.900 -0.051 0.000 1.154 99 G CA 0.343 45.402 45.100 -0.068 0.000 0.784 99 G HN 0.142 nan 8.290 nan 0.000 0.538 100 M N 0.447 119.996 119.600 -0.085 0.000 2.117 100 M HA -0.080 4.400 4.480 0.001 0.000 0.262 100 M C 2.456 178.744 176.300 -0.020 0.000 1.065 100 M CA 1.592 56.860 55.300 -0.054 0.000 1.114 100 M CB -0.603 31.954 32.600 -0.071 0.000 1.361 100 M HN 0.306 nan 8.290 nan 0.000 0.408 101 Q N -0.215 119.566 119.800 -0.031 0.000 2.124 101 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 101 Q C 2.011 178.030 176.000 0.031 0.000 0.977 101 Q CA 1.475 57.288 55.803 0.018 0.000 0.850 101 Q CB -0.146 28.607 28.738 0.024 0.000 0.901 101 Q HN 0.551 nan 8.270 nan 0.000 0.429 102 Q N 0.350 120.171 119.800 0.035 0.000 2.112 102 Q HA -0.182 4.159 4.340 0.001 0.000 0.206 102 Q C 2.030 178.049 176.000 0.033 0.000 0.987 102 Q CA 1.438 57.269 55.803 0.048 0.000 0.858 102 Q CB -0.298 28.482 28.738 0.069 0.000 0.905 102 Q HN 0.509 nan 8.270 nan 0.000 0.420 103 I N 0.142 120.725 120.570 0.022 0.000 2.480 103 I HA -0.108 4.062 4.170 0.001 0.000 0.251 103 I C 2.338 178.468 176.117 0.021 0.000 1.124 103 I CA 0.652 61.963 61.300 0.018 0.000 1.444 103 I CB -0.430 37.576 38.000 0.011 0.000 1.098 103 I HN 0.034 nan 8.210 nan 0.000 0.428 104 A N 1.122 123.957 122.820 0.026 0.000 1.908 104 A HA -0.239 4.082 4.320 0.001 0.000 0.218 104 A C 2.312 179.915 177.584 0.031 0.000 1.181 104 A CA 2.523 54.580 52.037 0.032 0.000 0.627 104 A CB -1.227 17.801 19.000 0.047 0.000 0.818 104 A HN 0.514 nan 8.150 nan 0.000 0.445 105 T N -4.008 110.565 114.554 0.032 0.000 3.169 105 T HA 0.398 4.749 4.350 0.001 0.000 0.250 105 T C 1.275 175.989 174.700 0.022 0.000 1.111 105 T CA 0.999 63.116 62.100 0.028 0.000 1.010 105 T CB -0.194 68.691 68.868 0.029 0.000 0.984 105 T HN 1.771 nan 8.240 nan 0.000 0.537 106 G N 1.595 110.408 108.800 0.021 0.000 2.153 106 G HA2 -0.231 3.730 3.960 0.001 0.000 0.252 106 G HA3 -0.231 3.730 3.960 0.001 0.000 0.252 106 G C 0.408 175.318 174.900 0.018 0.000 0.994 106 G CA 0.274 45.384 45.100 0.018 0.000 0.698 106 G HN 0.549 nan 8.290 nan 0.000 0.521 107 D N 0.010 120.423 120.400 0.021 0.000 2.333 107 D HA 0.454 5.094 4.640 0.001 0.000 0.208 107 D C 1.369 177.685 176.300 0.026 0.000 0.984 107 D CA 1.375 55.388 54.000 0.022 0.000 0.873 107 D CB 0.470 41.285 40.800 0.025 0.000 0.935 107 D HN 1.000 nan 8.370 nan 0.000 0.521 108 A N -0.863 121.973 122.820 0.026 0.000 2.587 108 A HA 0.585 4.906 4.320 0.001 0.000 0.293 108 A C 0.372 177.967 177.584 0.018 0.000 1.087 108 A CA -0.429 51.624 52.037 0.026 0.000 0.692 108 A CB 1.627 20.648 19.000 0.035 0.000 1.291 108 A HN -0.123 nan 8.150 nan 0.000 0.407 109 S N -0.436 115.273 115.700 0.015 0.000 2.599 109 S HA 0.397 4.867 4.470 0.001 0.000 0.236 109 S C 0.152 174.756 174.600 0.006 0.000 1.077 109 S CA 0.546 58.752 58.200 0.010 0.000 0.906 109 S CB 0.043 63.249 63.200 0.009 0.000 0.804 109 S HN 0.535 nan 8.310 nan 0.000 0.497 110 I N 2.367 122.940 120.570 0.006 0.000 2.500 110 I HA 0.396 4.567 4.170 0.001 0.000 0.286 110 I C -1.461 174.654 176.117 -0.005 0.000 1.063 110 I CA -0.356 60.944 61.300 -0.000 0.000 1.062 110 I CB 1.940 39.940 38.000 0.000 0.000 1.223 110 I HN 0.048 nan 8.210 nan 0.000 0.435 111 I N 6.530 127.091 120.570 -0.015 0.000 2.646 111 I HA 0.486 4.657 4.170 0.001 0.000 0.299 111 I C -0.343 175.747 176.117 -0.045 0.000 1.036 111 I CA -0.922 60.360 61.300 -0.030 0.000 1.074 111 I CB 2.296 40.274 38.000 -0.037 0.000 1.258 111 I HN 0.097 nan 8.210 nan 0.000 0.430 112 V N 4.333 124.211 119.914 -0.061 0.000 2.417 112 V HA 0.806 4.926 4.120 0.001 0.000 0.291 112 V C 0.070 176.094 176.094 -0.116 0.000 1.024 112 V CA -0.441 61.816 62.300 -0.071 0.000 0.861 112 V CB 1.530 33.320 31.823 -0.056 0.000 0.985 112 V HN 0.908 nan 8.190 nan 0.000 0.436 113 A N 3.415 126.164 122.820 -0.118 0.000 2.486 113 A HA 1.028 5.348 4.320 0.001 0.000 0.300 113 A C 0.092 177.598 177.584 -0.131 0.000 1.048 113 A CA 0.191 52.130 52.037 -0.163 0.000 0.696 113 A CB 2.101 20.997 19.000 -0.173 0.000 1.278 113 A HN 1.367 nan 8.150 nan 0.000 0.405 114 G N -0.157 108.554 108.800 -0.148 0.000 2.609 114 G HA2 0.731 4.691 3.960 0.001 0.000 0.082 114 G HA3 0.731 4.691 3.960 0.001 0.000 0.082 114 G C -0.032 174.795 174.900 -0.122 0.000 1.075 114 G CA 0.513 45.545 45.100 -0.113 0.000 1.172 114 G HN 2.270 nan 8.290 nan 0.000 0.532 115 G N -0.855 107.884 108.800 -0.102 0.000 2.506 115 G HA2 0.720 4.681 3.960 0.001 0.000 0.292 115 G HA3 0.720 4.681 3.960 0.001 0.000 0.292 115 G C -1.014 173.833 174.900 -0.088 0.000 1.425 115 G CA 0.176 45.217 45.100 -0.099 0.000 0.788 115 G HN 1.692 nan 8.290 nan 0.000 0.490 116 M N -0.951 118.601 119.600 -0.081 0.000 2.471 116 M HA 0.893 5.373 4.480 0.001 0.000 0.284 116 M C -1.759 174.501 176.300 -0.067 0.000 1.203 116 M CA -0.917 54.334 55.300 -0.082 0.000 0.915 116 M CB 2.656 35.207 32.600 -0.082 0.000 1.734 116 M HN 0.530 nan 8.290 nan 0.000 0.485 117 E N 0.690 120.849 120.200 -0.068 0.000 2.354 117 E HA 0.531 4.881 4.350 0.001 0.000 0.283 117 E C -1.897 174.686 176.600 -0.029 0.000 0.938 117 E CA -0.236 56.140 56.400 -0.040 0.000 0.777 117 E CB 2.549 32.227 29.700 -0.036 0.000 1.222 117 E HN 0.705 nan 8.360 nan 0.000 0.423 118 S N 5.012 120.709 115.700 -0.005 0.000 2.406 118 S HA 0.258 4.728 4.470 0.001 0.000 0.224 118 S C 0.746 175.391 174.600 0.075 0.000 1.426 118 S CA -0.381 57.832 58.200 0.021 0.000 1.179 118 S CB -0.016 63.177 63.200 -0.011 0.000 1.042 118 S HN 0.706 nan 8.310 nan 0.000 0.479 119 M N 1.689 121.364 119.600 0.126 0.000 2.346 119 M HA -0.072 4.409 4.480 0.001 0.000 0.263 119 M C 2.175 178.692 176.300 0.363 0.000 1.064 119 M CA 1.114 56.548 55.300 0.223 0.000 1.083 119 M CB -0.378 32.342 32.600 0.200 0.000 1.399 119 M HN 0.529 nan 8.290 nan 0.000 0.435 120 S N 0.220 116.042 115.700 0.202 0.000 2.368 120 S HA -0.002 4.468 4.470 0.001 0.000 0.224 120 S C 1.752 176.352 174.600 0.001 0.000 1.029 120 S CA 1.075 59.252 58.200 -0.038 0.000 0.988 120 S CB -0.046 63.082 63.200 -0.120 0.000 0.838 120 S HN 0.430 nan 8.310 nan 0.000 0.462 121 M N 1.028 120.649 119.600 0.034 0.000 2.561 121 M HA 0.289 4.770 4.480 0.001 0.000 0.238 121 M C 0.765 177.098 176.300 0.055 0.000 1.131 121 M CA -0.151 55.168 55.300 0.032 0.000 1.046 121 M CB -1.417 31.196 32.600 0.021 0.000 1.532 121 M HN 0.140 nan 8.290 nan 0.000 0.497 122 A N 3.094 125.959 122.820 0.074 0.000 2.520 122 A HA 0.382 4.702 4.320 0.001 0.000 0.245 122 A C -2.085 175.540 177.584 0.069 0.000 1.072 122 A CA -0.624 51.452 52.037 0.066 0.000 0.761 122 A CB -0.686 18.355 19.000 0.069 0.000 1.004 122 A HN 0.144 nan 8.150 nan 0.000 0.499 123 P HA 0.497 nan 4.420 nan 0.000 0.286 123 P C -0.884 176.449 177.300 0.055 0.000 1.292 123 P CA -0.554 62.608 63.100 0.103 0.000 0.842 123 P CB 0.636 32.394 31.700 0.096 0.000 1.207 124 H N -1.344 117.765 119.070 0.064 0.000 2.481 124 H HA 0.502 5.059 4.556 0.001 0.000 0.339 124 H C 0.207 175.580 175.328 0.075 0.000 1.131 124 H CA 0.169 56.259 56.048 0.069 0.000 1.301 124 H CB 0.335 30.135 29.762 0.063 0.000 1.476 124 H HN 0.599 nan 8.280 nan 0.000 0.529 125 C N 0.825 120.229 119.300 0.174 0.000 3.171 125 C HA 0.990 5.450 4.460 0.001 0.000 0.308 125 C C -0.777 174.318 174.990 0.175 0.000 1.334 125 C CA -0.763 58.343 59.018 0.148 0.000 1.473 125 C CB 0.801 28.600 27.740 0.098 0.000 1.866 125 C HN 0.992 nan 8.230 nan 0.000 0.465 126 A N 0.426 123.347 122.820 0.168 0.000 2.488 126 A HA 0.631 4.952 4.320 0.001 0.000 0.295 126 A C -1.082 176.564 177.584 0.103 0.000 1.045 126 A CA -0.215 51.926 52.037 0.173 0.000 0.703 126 A CB 0.628 19.808 19.000 0.300 0.000 1.271 126 A HN 1.262 nan 8.150 nan 0.000 0.400 127 H N 3.077 122.140 119.070 -0.012 0.000 2.819 127 H HA 0.454 5.011 4.556 0.001 0.000 0.303 127 H C -0.622 174.632 175.328 -0.123 0.000 1.058 127 H CA 0.339 56.358 56.048 -0.049 0.000 1.471 127 H CB 0.610 30.350 29.762 -0.036 0.000 1.480 127 H HN 0.566 nan 8.280 nan 0.000 0.517 128 L N 5.267 126.194 121.223 -0.494 0.000 3.298 128 L HA 0.187 4.527 4.340 0.001 0.000 0.296 128 L C 2.107 178.730 176.870 -0.413 0.000 1.237 128 L CA -0.112 54.458 54.840 -0.450 0.000 1.038 128 L CB 0.307 42.189 42.059 -0.296 0.000 1.423 128 L HN 0.573 nan 8.230 nan 0.000 0.605 129 R N 0.417 120.583 120.500 -0.557 0.000 2.092 129 R HA -0.037 4.303 4.340 0.001 0.000 0.231 129 R C 2.178 178.346 176.300 -0.220 0.000 1.119 129 R CA 1.475 57.399 56.100 -0.294 0.000 0.970 129 R CB -0.272 29.930 30.300 -0.163 0.000 0.864 129 R HN 0.363 nan 8.270 nan 0.000 0.440 130 G N 0.300 108.940 108.800 -0.267 0.000 2.448 130 G HA2 0.155 4.116 3.960 0.001 0.000 0.218 130 G HA3 0.155 4.116 3.960 0.001 0.000 0.218 130 G C 0.531 175.349 174.900 -0.136 0.000 1.135 130 G CA 0.526 45.541 45.100 -0.141 0.000 0.784 130 G HN 0.610 nan 8.290 nan 0.000 0.543 131 G N -1.875 106.809 108.800 -0.193 0.000 2.712 131 G HA2 0.061 4.022 3.960 0.001 0.000 0.686 131 G HA3 0.061 4.022 3.960 0.001 0.000 0.686 131 G C -0.719 174.085 174.900 -0.160 0.000 1.321 131 G CA -0.437 44.565 45.100 -0.164 0.000 0.813 131 G HN 0.879 nan 8.290 nan 0.000 0.599 132 V N 3.376 123.202 119.914 -0.146 0.000 2.266 132 V HA 0.282 4.403 4.120 0.001 0.000 0.271 132 V C 1.449 177.530 176.094 -0.021 0.000 1.032 132 V CA -0.492 61.749 62.300 -0.098 0.000 0.806 132 V CB 1.107 32.852 31.823 -0.130 0.000 1.052 132 V HN 0.808 nan 8.190 nan 0.000 0.449 133 K N 3.624 124.015 120.400 -0.015 0.000 2.074 133 K HA -0.060 4.261 4.320 0.001 0.000 0.209 133 K C 0.559 177.171 176.600 0.019 0.000 1.048 133 K CA 1.700 57.987 56.287 0.001 0.000 0.926 133 K CB -0.022 32.477 32.500 -0.001 0.000 0.713 133 K HN 0.806 nan 8.250 nan 0.000 0.444 134 M N -3.863 115.756 119.600 0.031 0.000 2.694 134 M HA 0.484 4.965 4.480 0.001 0.000 0.276 134 M C -0.994 175.343 176.300 0.061 0.000 1.167 134 M CA -0.279 55.048 55.300 0.045 0.000 0.849 134 M CB 2.368 34.987 32.600 0.032 0.000 1.705 134 M HN 0.158 nan 8.290 nan 0.000 0.504 135 G N 1.391 110.233 108.800 0.070 0.000 2.617 135 G HA2 0.057 4.018 3.960 0.001 0.000 0.686 135 G HA3 0.057 4.018 3.960 0.001 0.000 0.686 135 G C -1.697 173.275 174.900 0.120 0.000 1.214 135 G CA -0.589 44.558 45.100 0.079 0.000 0.796 135 G HN 0.989 nan 8.290 nan 0.000 0.654 136 D N -0.111 120.337 120.400 0.080 0.000 2.368 136 D HA 0.610 5.251 4.640 0.001 0.000 0.240 136 D C 0.658 177.047 176.300 0.149 0.000 1.169 136 D CA 0.951 54.978 54.000 0.044 0.000 0.906 136 D CB 0.692 41.480 40.800 -0.019 0.000 1.187 136 D HN 0.673 nan 8.370 nan 0.000 0.435 137 F N -2.395 117.566 119.950 0.019 0.000 2.629 137 F HA 0.540 5.068 4.527 0.000 0.000 0.316 137 F C -0.368 175.452 175.800 0.033 0.000 1.081 137 F CA -1.356 56.659 58.000 0.025 0.000 0.954 137 F CB 1.227 40.241 39.000 0.022 0.000 1.337 137 F HN -0.142 nan 8.300 nan 0.000 0.474 138 K N 2.324 122.866 120.400 0.236 0.000 2.234 138 K HA 0.384 4.705 4.320 0.001 0.000 0.282 138 K C -0.723 176.004 176.600 0.212 0.000 1.039 138 K CA -0.662 55.704 56.287 0.132 0.000 0.928 138 K CB 1.031 33.611 32.500 0.134 0.000 1.039 138 K HN 0.541 nan 8.250 nan 0.000 0.470 139 M N 4.594 124.258 119.600 0.107 0.000 2.077 139 M HA 0.260 4.740 4.480 0.001 0.000 0.348 139 M C -0.386 176.065 176.300 0.252 0.000 1.252 139 M CA -0.636 54.778 55.300 0.189 0.000 1.096 139 M CB 0.504 33.167 32.600 0.106 0.000 1.568 139 M HN 0.352 nan 8.290 nan 0.000 0.456 140 I N 2.824 123.517 120.570 0.204 0.000 2.371 140 I HA 0.094 4.265 4.170 0.001 0.000 0.290 140 I C 0.541 176.642 176.117 -0.026 0.000 1.028 140 I CA -0.414 60.957 61.300 0.119 0.000 1.345 140 I CB 0.763 38.810 38.000 0.079 0.000 1.407 140 I HN 0.492 nan 8.210 nan 0.000 0.501 141 D N 5.238 125.527 120.400 -0.185 0.000 2.348 141 D HA -0.010 4.631 4.640 0.001 0.000 0.259 141 D C 1.483 177.656 176.300 -0.212 0.000 1.296 141 D CA 0.043 53.715 54.000 -0.546 0.000 0.931 141 D CB 0.925 41.512 40.800 -0.354 0.000 1.067 141 D HN 0.697 nan 8.370 nan 0.000 0.503 142 T N 1.410 115.863 114.554 -0.168 0.000 2.803 142 T HA -0.264 4.087 4.350 0.001 0.000 0.269 142 T C 2.008 176.684 174.700 -0.039 0.000 1.052 142 T CA 0.919 62.982 62.100 -0.062 0.000 1.136 142 T CB -0.220 68.631 68.868 -0.027 0.000 0.864 142 T HN 0.490 nan 8.240 nan 0.000 0.467 143 M N 0.430 120.006 119.600 -0.039 0.000 2.080 143 M HA -0.073 4.407 4.480 0.001 0.000 0.260 143 M C 1.951 178.249 176.300 -0.002 0.000 1.068 143 M CA 1.879 57.179 55.300 0.000 0.000 1.109 143 M CB -0.253 32.371 32.600 0.040 0.000 1.342 143 M HN 0.192 nan 8.290 nan 0.000 0.405 144 I N 0.351 120.923 120.570 0.003 0.000 2.202 144 I HA -0.228 3.943 4.170 0.001 0.000 0.242 144 I C 2.367 178.493 176.117 0.014 0.000 1.091 144 I CA 1.390 62.715 61.300 0.041 0.000 1.368 144 I CB -1.431 36.617 38.000 0.079 0.000 1.058 144 I HN 0.325 nan 8.210 nan 0.000 0.410 145 K N 1.542 121.940 120.400 -0.003 0.000 2.001 145 K HA -0.145 4.175 4.320 0.001 0.000 0.208 145 K C 1.427 178.009 176.600 -0.030 0.000 1.048 145 K CA 1.748 58.027 56.287 -0.012 0.000 0.932 145 K CB -0.113 32.380 32.500 -0.012 0.000 0.715 145 K HN 0.154 nan 8.250 nan 0.000 0.437 146 D N -1.447 118.937 120.400 -0.027 0.000 2.354 146 D HA 0.107 4.747 4.640 0.001 0.000 0.209 146 D C 1.430 177.715 176.300 -0.025 0.000 1.015 146 D CA 0.903 54.885 54.000 -0.030 0.000 0.867 146 D CB 0.591 41.379 40.800 -0.019 0.000 0.933 146 D HN 0.438 nan 8.370 nan 0.000 0.520 147 G N -0.183 108.603 108.800 -0.023 0.000 2.641 147 G HA2 0.113 4.074 3.960 0.001 0.000 0.207 147 G HA3 0.113 4.074 3.960 0.001 0.000 0.207 147 G C 1.190 176.062 174.900 -0.045 0.000 1.137 147 G CA -0.077 45.011 45.100 -0.020 0.000 0.824 147 G HN 0.196 nan 8.290 nan 0.000 0.547 148 L N 1.034 122.212 121.223 -0.074 0.000 3.016 148 L HA 0.329 4.669 4.340 0.001 0.000 0.267 148 L C -0.278 176.432 176.870 -0.267 0.000 1.182 148 L CA 0.095 54.820 54.840 -0.192 0.000 0.997 148 L CB 1.336 43.296 42.059 -0.165 0.000 1.354 148 L HN -0.043 nan 8.230 nan 0.000 0.569 149 T N -0.870 113.614 114.554 -0.116 0.000 2.848 149 T HA 0.173 4.524 4.350 0.001 0.000 0.285 149 T C -0.800 173.865 174.700 -0.059 0.000 0.995 149 T CA -0.487 61.575 62.100 -0.064 0.000 0.970 149 T CB 2.380 71.243 68.868 -0.008 0.000 0.976 149 T HN -0.053 nan 8.240 nan 0.000 0.441 150 D N 2.029 122.416 120.400 -0.021 0.000 2.401 150 D HA 0.374 5.015 4.640 0.001 0.000 0.254 150 D C 1.234 177.453 176.300 -0.135 0.000 1.192 150 D CA -0.179 53.810 54.000 -0.018 0.000 0.885 150 D CB 0.703 41.565 40.800 0.102 0.000 1.147 150 D HN 0.567 nan 8.370 nan 0.000 0.478 151 A N 3.480 126.105 122.820 -0.325 0.000 2.019 151 A HA -0.116 4.205 4.320 0.001 0.000 0.219 151 A C 1.419 178.676 177.584 -0.544 0.000 1.164 151 A CA 0.957 52.693 52.037 -0.503 0.000 0.644 151 A CB -0.536 18.038 19.000 -0.710 0.000 0.805 151 A HN 0.682 nan 8.150 nan 0.000 0.449 152 F N -3.294 116.589 119.950 -0.112 0.000 2.446 152 F HA 0.150 4.678 4.527 0.001 0.000 0.292 152 F C 1.725 177.232 175.800 -0.488 0.000 1.096 152 F CA 0.556 58.393 58.000 -0.272 0.000 1.438 152 F CB -0.266 38.563 39.000 -0.285 0.000 1.107 152 F HN 0.213 nan 8.300 nan 0.000 0.546 153 Y N -0.657 119.556 120.300 -0.144 0.000 2.444 153 Y HA 0.399 4.949 4.550 0.001 0.000 0.252 153 Y C 1.992 177.571 175.900 -0.536 0.000 1.091 153 Y CA 0.180 58.010 58.100 -0.450 0.000 1.276 153 Y CB 0.447 38.383 38.460 -0.873 0.000 1.170 153 Y HN 0.086 nan 8.280 nan 0.000 0.517 154 G N 0.098 108.763 108.800 -0.224 0.000 2.179 154 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 154 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 154 G C -0.144 174.756 174.900 0.000 0.000 0.977 154 G CA 0.554 45.589 45.100 -0.107 0.000 0.641 154 G HN 0.394 nan 8.290 nan 0.000 0.533 155 Y N -0.658 119.699 120.300 0.095 0.000 2.602 155 Y HA 0.825 5.376 4.550 0.001 0.000 0.330 155 Y C 0.466 176.391 175.900 0.042 0.000 1.114 155 Y CA -3.001 55.145 58.100 0.076 0.000 1.182 155 Y CB 0.299 38.797 38.460 0.063 0.000 1.305 155 Y HN 0.262 nan 8.280 nan 0.000 0.502 156 H N 2.102 121.286 119.070 0.191 0.000 2.679 156 H HA 0.112 4.668 4.556 0.001 0.000 0.369 156 H C 1.036 176.292 175.328 -0.120 0.000 1.178 156 H CA -0.016 56.036 56.048 0.007 0.000 1.419 156 H CB 1.158 30.887 29.762 -0.054 0.000 1.458 156 H HN 0.789 nan 8.280 nan 0.000 0.605 157 M N 2.901 122.240 119.600 -0.436 0.000 2.195 157 M HA -0.125 4.355 4.480 0.001 0.000 0.260 157 M C 2.347 178.340 176.300 -0.512 0.000 1.066 157 M CA 1.426 56.577 55.300 -0.248 0.000 1.089 157 M CB -1.575 30.984 32.600 -0.069 0.000 1.377 157 M HN 0.808 nan 8.290 nan 0.000 0.411 158 G N -0.422 108.008 108.800 -0.616 0.000 2.450 158 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 158 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 158 G C 1.563 175.794 174.900 -1.115 0.000 1.130 158 G CA 1.595 45.684 45.100 -1.685 0.000 0.760 158 G HN 0.430 nan 8.290 nan 0.000 0.557 159 T N 0.812 114.925 114.554 -0.735 0.000 2.770 159 T HA -0.119 4.231 4.350 0.001 0.000 0.263 159 T C 2.838 177.196 174.700 -0.570 0.000 1.039 159 T CA 2.065 63.800 62.100 -0.609 0.000 1.142 159 T CB -0.624 67.772 68.868 -0.787 0.000 0.868 159 T HN 0.576 nan 8.240 nan 0.000 0.435 160 T N 1.433 115.734 114.554 -0.422 0.000 2.737 160 T HA -0.124 4.226 4.350 0.001 0.000 0.269 160 T C 2.178 176.685 174.700 -0.321 0.000 1.040 160 T CA 1.441 63.382 62.100 -0.266 0.000 1.142 160 T CB -0.612 68.187 68.868 -0.116 0.000 0.861 160 T HN 0.318 nan 8.240 nan 0.000 0.456 161 A N 1.940 124.440 122.820 -0.533 0.000 1.877 161 A HA -0.102 4.219 4.320 0.001 0.000 0.216 161 A C 2.472 179.861 177.584 -0.325 0.000 1.186 161 A CA 1.638 53.343 52.037 -0.554 0.000 0.620 161 A CB -0.666 17.613 19.000 -1.202 0.000 0.822 161 A HN 0.564 nan 8.150 nan 0.000 0.443 162 E N 0.417 120.423 120.200 -0.324 0.000 2.085 162 E HA -0.207 4.144 4.350 0.001 0.000 0.194 162 E C 1.805 178.316 176.600 -0.150 0.000 0.994 162 E CA 1.320 57.605 56.400 -0.192 0.000 0.801 162 E CB -0.491 29.101 29.700 -0.181 0.000 0.743 162 E HN 0.578 nan 8.360 nan 0.000 0.453 163 N N 0.699 119.286 118.700 -0.189 0.000 2.036 163 N HA -0.146 4.595 4.740 0.001 0.000 0.195 163 N C 2.099 177.578 175.510 -0.051 0.000 1.037 163 N CA 1.104 54.075 53.050 -0.131 0.000 0.855 163 N CB -0.682 37.713 38.487 -0.154 0.000 1.033 163 N HN 0.015 nan 8.380 nan 0.000 0.423 164 V N 1.588 121.482 119.914 -0.033 0.000 2.332 164 V HA -0.217 3.904 4.120 0.001 0.000 0.248 164 V C 2.427 178.608 176.094 0.144 0.000 1.055 164 V CA 1.826 64.178 62.300 0.087 0.000 1.038 164 V CB -1.043 30.801 31.823 0.036 0.000 0.651 164 V HN 0.333 nan 8.190 nan 0.000 0.450 165 A N -0.024 122.817 122.820 0.035 0.000 1.883 165 A HA -0.240 4.080 4.320 0.001 0.000 0.217 165 A C 2.294 179.918 177.584 0.067 0.000 1.186 165 A CA 2.007 54.072 52.037 0.047 0.000 0.624 165 A CB -0.410 18.585 19.000 -0.009 0.000 0.822 165 A HN 0.571 nan 8.150 nan 0.000 0.444 166 K N -0.768 119.644 120.400 0.020 0.000 2.097 166 K HA -0.162 4.159 4.320 0.001 0.000 0.205 166 K C 2.327 178.929 176.600 0.004 0.000 1.050 166 K CA 1.300 57.589 56.287 0.004 0.000 0.938 166 K CB -0.228 32.256 32.500 -0.027 0.000 0.718 166 K HN 0.648 nan 8.250 nan 0.000 0.442 167 Q N -0.169 119.638 119.800 0.012 0.000 2.096 167 Q HA -0.180 4.160 4.340 0.001 0.000 0.204 167 Q C 1.217 177.134 176.000 -0.137 0.000 0.982 167 Q CA 1.645 57.414 55.803 -0.057 0.000 0.850 167 Q CB 0.003 28.736 28.738 -0.009 0.000 0.901 167 Q HN 0.416 nan 8.270 nan 0.000 0.422 168 W N 0.242 121.515 121.300 -0.045 0.000 3.211 168 W HA 0.196 4.856 4.660 0.001 0.000 0.292 168 W C 0.028 176.528 176.519 -0.031 0.000 1.268 168 W CA -0.053 57.269 57.345 -0.038 0.000 1.702 168 W CB 0.617 30.052 29.460 -0.042 0.000 1.092 168 W HN 0.176 nan 8.180 nan 0.000 0.643 169 Q N 0.429 120.308 119.800 0.131 0.000 2.463 169 Q HA -0.204 4.137 4.340 0.001 0.000 0.299 169 Q C -0.646 175.411 176.000 0.095 0.000 1.353 169 Q CA 0.309 56.158 55.803 0.077 0.000 0.828 169 Q CB -1.994 26.767 28.738 0.039 0.000 1.157 169 Q HN 0.265 nan 8.270 nan 0.000 0.436 170 L N 1.281 122.565 121.223 0.101 0.000 2.260 170 L HA 0.315 4.655 4.340 0.001 0.000 0.289 170 L C 1.050 177.948 176.870 0.046 0.000 1.057 170 L CA -0.403 54.480 54.840 0.072 0.000 0.811 170 L CB 1.052 43.141 42.059 0.049 0.000 1.184 170 L HN 0.209 nan 8.230 nan 0.000 0.429 171 S N 2.136 117.863 115.700 0.045 0.000 2.593 171 S HA 0.145 4.616 4.470 0.001 0.000 0.269 171 S C 1.026 175.648 174.600 0.038 0.000 1.334 171 S CA -0.648 57.574 58.200 0.037 0.000 1.015 171 S CB 1.618 64.839 63.200 0.036 0.000 0.912 171 S HN 0.717 nan 8.310 nan 0.000 0.541 172 R N 1.332 121.852 120.500 0.033 0.000 2.096 172 R HA -0.156 4.185 4.340 0.001 0.000 0.240 172 R C 1.306 177.633 176.300 0.045 0.000 1.139 172 R CA 2.459 58.581 56.100 0.037 0.000 0.952 172 R CB -1.277 29.041 30.300 0.030 0.000 0.854 172 R HN 0.799 nan 8.270 nan 0.000 0.436 173 D N 0.258 120.683 120.400 0.041 0.000 2.116 173 D HA -0.207 4.433 4.640 0.001 0.000 0.193 173 D C 1.721 178.056 176.300 0.059 0.000 0.998 173 D CA 1.698 55.725 54.000 0.045 0.000 0.836 173 D CB -0.369 40.453 40.800 0.037 0.000 0.951 173 D HN 0.552 nan 8.370 nan 0.000 0.449 174 E N 0.438 120.674 120.200 0.060 0.000 2.058 174 E HA -0.231 4.119 4.350 0.001 0.000 0.194 174 E C 2.021 178.683 176.600 0.104 0.000 0.997 174 E CA 1.137 57.583 56.400 0.076 0.000 0.801 174 E CB 0.057 29.794 29.700 0.063 0.000 0.746 174 E HN 0.327 nan 8.360 nan 0.000 0.450 175 Q N 0.022 119.871 119.800 0.082 0.000 2.124 175 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 175 Q C 1.798 177.889 176.000 0.152 0.000 0.977 175 Q CA 1.499 57.361 55.803 0.097 0.000 0.850 175 Q CB 0.013 28.788 28.738 0.062 0.000 0.901 175 Q HN 0.299 nan 8.270 nan 0.000 0.429 176 D N 0.295 120.761 120.400 0.111 0.000 2.144 176 D HA -0.085 4.556 4.640 0.001 0.000 0.200 176 D C 1.731 178.094 176.300 0.104 0.000 0.978 176 D CA 1.196 55.256 54.000 0.100 0.000 0.833 176 D CB -0.156 40.683 40.800 0.065 0.000 0.961 176 D HN 0.259 nan 8.370 nan 0.000 0.470 177 A N 0.089 122.973 122.820 0.106 0.000 1.933 177 A HA -0.157 4.163 4.320 0.001 0.000 0.218 177 A C 2.077 179.724 177.584 0.106 0.000 1.175 177 A CA 0.887 52.976 52.037 0.087 0.000 0.628 177 A CB -0.939 18.110 19.000 0.081 0.000 0.814 177 A HN 0.267 nan 8.150 nan 0.000 0.444 178 F N 0.970 120.934 119.950 0.024 0.000 2.134 178 F HA -0.043 4.485 4.527 0.001 0.000 0.299 178 F C 2.527 178.342 175.800 0.025 0.000 1.097 178 F CA 1.091 59.107 58.000 0.026 0.000 1.264 178 F CB -0.441 38.578 39.000 0.031 0.000 1.001 178 F HN 0.255 nan 8.300 nan 0.000 0.479 179 A N -0.085 122.898 122.820 0.271 0.000 1.892 179 A HA -0.189 4.132 4.320 0.001 0.000 0.218 179 A C 2.313 179.904 177.584 0.011 0.000 1.188 179 A CA 2.256 54.388 52.037 0.157 0.000 0.631 179 A CB -1.456 17.630 19.000 0.143 0.000 0.822 179 A HN 0.273 nan 8.150 nan 0.000 0.447 180 V N -0.258 119.656 119.914 0.001 0.000 2.407 180 V HA -0.237 3.884 4.120 0.001 0.000 0.248 180 V C 3.034 179.082 176.094 -0.076 0.000 1.055 180 V CA 1.887 64.169 62.300 -0.030 0.000 1.049 180 V CB -1.218 30.597 31.823 -0.013 0.000 0.662 180 V HN 0.645 nan 8.190 nan 0.000 0.455 181 A N -0.526 122.219 122.820 -0.126 0.000 1.877 181 A HA -0.250 4.071 4.320 0.001 0.000 0.216 181 A C 2.580 180.051 177.584 -0.189 0.000 1.186 181 A CA 2.291 54.224 52.037 -0.172 0.000 0.620 181 A CB -0.900 17.950 19.000 -0.251 0.000 0.822 181 A HN 0.498 nan 8.150 nan 0.000 0.443 182 S N -1.018 114.531 115.700 -0.251 0.000 2.370 182 S HA -0.222 4.249 4.470 0.001 0.000 0.226 182 S C 2.189 176.737 174.600 -0.086 0.000 1.033 182 S CA 1.695 59.785 58.200 -0.182 0.000 1.011 182 S CB -0.415 62.693 63.200 -0.154 0.000 0.852 182 S HN 0.587 nan 8.310 nan 0.000 0.457 183 Q N 1.123 120.876 119.800 -0.079 0.000 2.050 183 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 183 Q C 2.043 177.991 176.000 -0.087 0.000 0.980 183 Q CA 1.722 57.476 55.803 -0.081 0.000 0.840 183 Q CB -0.904 27.784 28.738 -0.083 0.000 0.898 183 Q HN 0.738 nan 8.270 nan 0.000 0.424 184 N N 0.524 119.175 118.700 -0.081 0.000 2.166 184 N HA -0.136 4.605 4.740 0.001 0.000 0.186 184 N C 1.793 177.260 175.510 -0.071 0.000 1.019 184 N CA 0.771 53.777 53.050 -0.074 0.000 0.856 184 N CB 0.003 38.452 38.487 -0.064 0.000 0.993 184 N HN 0.178 nan 8.380 nan 0.000 0.426 185 K N 0.748 121.105 120.400 -0.071 0.000 2.057 185 K HA -0.029 4.292 4.320 0.001 0.000 0.206 185 K C 2.200 178.783 176.600 -0.027 0.000 1.050 185 K CA 1.080 57.332 56.287 -0.058 0.000 0.935 185 K CB -0.081 32.380 32.500 -0.065 0.000 0.715 185 K HN 0.147 nan 8.250 nan 0.000 0.439 186 A N 1.456 124.283 122.820 0.010 0.000 1.898 186 A HA -0.210 4.111 4.320 0.001 0.000 0.216 186 A C 2.057 179.669 177.584 0.048 0.000 1.181 186 A CA 1.518 53.624 52.037 0.115 0.000 0.620 186 A CB -0.436 18.622 19.000 0.097 0.000 0.819 186 A HN 0.390 nan 8.150 nan 0.000 0.442 187 E N 0.021 120.171 120.200 -0.084 0.000 2.038 187 E HA -0.185 4.165 4.350 0.001 0.000 0.195 187 E C 2.187 178.734 176.600 -0.088 0.000 1.000 187 E CA 1.251 57.545 56.400 -0.177 0.000 0.803 187 E CB -0.294 29.267 29.700 -0.232 0.000 0.750 187 E HN 0.510 nan 8.360 nan 0.000 0.448 188 A N 1.310 124.083 122.820 -0.078 0.000 1.883 188 A HA -0.185 4.136 4.320 0.001 0.000 0.217 188 A C 2.445 179.953 177.584 -0.126 0.000 1.186 188 A CA 2.278 54.268 52.037 -0.079 0.000 0.624 188 A CB -1.000 17.956 19.000 -0.074 0.000 0.822 188 A HN 0.453 nan 8.150 nan 0.000 0.444 189 A N -0.971 121.737 122.820 -0.186 0.000 1.908 189 A HA -0.250 4.071 4.320 0.001 0.000 0.218 189 A C 2.225 179.526 177.584 -0.471 0.000 1.181 189 A CA 1.979 53.762 52.037 -0.423 0.000 0.627 189 A CB -0.651 17.948 19.000 -0.669 0.000 0.818 189 A HN 0.697 nan 8.150 nan 0.000 0.445 190 Q N -0.198 119.492 119.800 -0.183 0.000 1.993 190 Q HA -0.231 4.109 4.340 0.001 0.000 0.202 190 Q C 2.026 178.029 176.000 0.005 0.000 0.984 190 Q CA 2.095 57.932 55.803 0.057 0.000 0.837 190 Q CB -0.160 28.701 28.738 0.206 0.000 0.902 190 Q HN 0.691 nan 8.270 nan 0.000 0.423 191 K N 0.188 120.590 120.400 0.004 0.000 2.057 191 K HA -0.138 4.183 4.320 0.001 0.000 0.207 191 K C 1.456 178.039 176.600 -0.029 0.000 1.049 191 K CA 1.405 57.699 56.287 0.013 0.000 0.931 191 K CB 0.016 32.531 32.500 0.026 0.000 0.714 191 K HN 0.268 nan 8.250 nan 0.000 0.440 192 D N -0.527 119.829 120.400 -0.074 0.000 2.363 192 D HA 0.009 4.649 4.640 0.001 0.000 0.226 192 D C 0.975 177.218 176.300 -0.095 0.000 1.020 192 D CA 0.903 54.854 54.000 -0.082 0.000 0.892 192 D CB 0.441 41.181 40.800 -0.099 0.000 0.900 192 D HN 0.451 nan 8.370 nan 0.000 0.531 193 G N 1.164 109.902 108.800 -0.103 0.000 2.141 193 G HA2 -0.358 3.603 3.960 0.001 0.000 0.242 193 G HA3 -0.358 3.603 3.960 0.001 0.000 0.242 193 G C 1.155 175.971 174.900 -0.141 0.000 0.982 193 G CA 0.025 45.073 45.100 -0.087 0.000 0.662 193 G HN 0.329 nan 8.290 nan 0.000 0.527 194 R N -1.028 119.305 120.500 -0.280 0.000 2.235 194 R HA 0.151 4.491 4.340 0.001 0.000 0.213 194 R C 1.480 177.596 176.300 -0.307 0.000 1.059 194 R CA 1.026 56.926 56.100 -0.334 0.000 0.997 194 R CB -0.197 29.841 30.300 -0.438 0.000 0.884 194 R HN 0.431 nan 8.270 nan 0.000 0.462 195 F N 0.369 120.288 119.950 -0.051 0.000 2.776 195 F HA 0.163 4.691 4.527 0.001 0.000 0.300 195 F C 1.750 177.480 175.800 -0.117 0.000 1.116 195 F CA -0.006 57.950 58.000 -0.072 0.000 1.375 195 F CB 0.012 38.989 39.000 -0.038 0.000 1.109 195 F HN -0.192 nan 8.300 nan 0.000 0.585 196 K N 0.422 120.836 120.400 0.023 0.000 2.026 196 K HA -0.170 4.150 4.320 0.001 0.000 0.208 196 K C 1.475 177.998 176.600 -0.127 0.000 1.048 196 K CA 1.735 58.005 56.287 -0.028 0.000 0.929 196 K CB -0.280 32.201 32.500 -0.030 0.000 0.713 196 K HN 0.125 nan 8.250 nan 0.000 0.439 197 D N 0.944 121.207 120.400 -0.228 0.000 2.103 197 D HA -0.208 4.432 4.640 0.001 0.000 0.190 197 D C 1.991 177.833 176.300 -0.763 0.000 0.997 197 D CA 1.655 55.379 54.000 -0.460 0.000 0.833 197 D CB -0.282 40.187 40.800 -0.552 0.000 0.961 197 D HN 0.470 nan 8.370 nan 0.000 0.447 198 E N 0.645 120.315 120.200 -0.884 0.000 2.072 198 E HA -0.120 4.230 4.350 0.001 0.000 0.191 198 E C 0.932 177.400 176.600 -0.219 0.000 0.985 198 E CA 0.343 56.319 56.400 -0.707 0.000 0.801 198 E CB -0.236 29.312 29.700 -0.253 0.000 0.750 198 E HN 0.243 nan 8.360 nan 0.000 0.452 199 I N 2.565 123.059 120.570 -0.127 0.000 2.533 199 I HA -0.012 4.159 4.170 0.001 0.000 0.284 199 I C -0.075 176.029 176.117 -0.021 0.000 1.109 199 I CA -0.205 61.075 61.300 -0.034 0.000 1.412 199 I CB 1.386 39.391 38.000 0.008 0.000 1.396 199 I HN -0.005 nan 8.210 nan 0.000 0.543 200 V N 9.346 129.269 119.914 0.015 0.000 2.472 200 V HA 0.519 4.640 4.120 0.001 0.000 0.290 200 V C -2.244 173.894 176.094 0.072 0.000 1.037 200 V CA -2.044 60.276 62.300 0.033 0.000 0.908 200 V CB 1.809 33.654 31.823 0.038 0.000 0.985 200 V HN 0.523 nan 8.190 nan 0.000 0.454 201 P HA 0.283 nan 4.420 nan 0.000 0.275 201 P C -1.467 175.919 177.300 0.144 0.000 1.228 201 P CA 0.060 63.224 63.100 0.106 0.000 0.786 201 P CB 0.386 32.121 31.700 0.059 0.000 0.927 202 F N 2.907 122.884 119.950 0.044 0.000 2.495 202 F HA 0.471 4.999 4.527 0.001 0.000 0.327 202 F C -0.719 175.103 175.800 0.036 0.000 1.103 202 F CA -1.040 56.957 58.000 -0.004 0.000 0.949 202 F CB 0.993 39.927 39.000 -0.110 0.000 1.142 202 F HN 0.068 nan 8.300 nan 0.000 0.457 203 I N 7.260 127.420 120.570 -0.683 0.000 2.297 203 I HA 0.178 4.348 4.170 0.001 0.000 0.291 203 I C -0.371 175.534 176.117 -0.353 0.000 1.033 203 I CA -0.652 60.426 61.300 -0.370 0.000 1.253 203 I CB 0.859 38.665 38.000 -0.323 0.000 1.396 203 I HN 0.256 nan 8.210 nan 0.000 0.476 204 V N 7.716 127.666 119.914 0.060 0.000 2.370 204 V HA 0.086 4.206 4.120 0.001 0.000 0.257 204 V C 0.909 177.037 176.094 0.057 0.000 1.064 204 V CA -0.702 61.708 62.300 0.183 0.000 0.975 204 V CB -0.220 31.781 31.823 0.296 0.000 1.067 204 V HN 0.531 nan 8.190 nan 0.000 0.485 205 K N 3.756 124.161 120.400 0.008 0.000 2.451 205 K HA 0.380 4.700 4.320 0.001 0.000 0.280 205 K C 0.449 177.063 176.600 0.023 0.000 1.020 205 K CA 0.288 56.572 56.287 -0.006 0.000 1.008 205 K CB 1.186 33.673 32.500 -0.021 0.000 0.917 205 K HN 0.853 nan 8.250 nan 0.000 0.478 206 G N 2.214 111.022 108.800 0.014 0.000 2.753 206 G HA2 0.210 4.171 3.960 0.001 0.000 0.297 206 G HA3 0.210 4.171 3.960 0.001 0.000 0.297 206 G C 0.768 175.674 174.900 0.010 0.000 1.430 206 G CA -0.758 44.354 45.100 0.019 0.000 1.040 206 G HN 0.435 nan 8.290 nan 0.000 0.530 207 R N 1.836 122.342 120.500 0.010 0.000 2.094 207 R HA -0.115 4.226 4.340 0.001 0.000 0.239 207 R C 1.041 177.344 176.300 0.005 0.000 1.137 207 R CA 1.139 57.243 56.100 0.007 0.000 0.943 207 R CB -0.557 29.747 30.300 0.007 0.000 0.850 207 R HN 0.503 nan 8.270 nan 0.000 0.433 208 K N 1.199 121.603 120.400 0.007 0.000 2.546 208 K HA 0.195 4.516 4.320 0.001 0.000 0.198 208 K C 0.148 176.751 176.600 0.005 0.000 1.028 208 K CA 0.485 56.775 56.287 0.005 0.000 1.150 208 K CB 0.251 32.754 32.500 0.005 0.000 0.876 208 K HN 0.549 nan 8.250 nan 0.000 0.508 209 G N 1.254 110.057 108.800 0.005 0.000 2.402 209 G HA2 -0.105 3.856 3.960 0.001 0.000 0.666 209 G HA3 -0.105 3.856 3.960 0.001 0.000 0.666 209 G C -1.846 173.058 174.900 0.007 0.000 1.402 209 G CA -1.123 43.980 45.100 0.004 0.000 0.920 209 G HN 0.026 nan 8.290 nan 0.000 0.651 210 D N -0.212 120.189 120.400 0.001 0.000 2.264 210 D HA 0.684 5.324 4.640 0.001 0.000 0.249 210 D C 0.441 176.748 176.300 0.011 0.000 1.070 210 D CA 0.212 54.212 54.000 0.001 0.000 0.912 210 D CB 1.596 42.385 40.800 -0.018 0.000 1.193 210 D HN 0.473 nan 8.370 nan 0.000 0.427 211 I N 0.901 121.488 120.570 0.028 0.000 2.498 211 I HA 0.173 4.344 4.170 0.001 0.000 0.290 211 I C -0.255 175.899 176.117 0.062 0.000 1.032 211 I CA -0.534 60.792 61.300 0.044 0.000 1.073 211 I CB 2.139 40.175 38.000 0.059 0.000 1.251 211 I HN 0.062 nan 8.210 nan 0.000 0.426 212 T N 5.599 120.185 114.554 0.052 0.000 2.744 212 T HA 0.408 4.759 4.350 0.001 0.000 0.291 212 T C -0.244 174.520 174.700 0.107 0.000 0.957 212 T CA -0.397 61.744 62.100 0.069 0.000 1.002 212 T CB 1.191 70.079 68.868 0.033 0.000 0.919 212 T HN 0.165 nan 8.240 nan 0.000 0.468 213 V N 4.506 124.534 119.914 0.190 0.000 2.370 213 V HA 0.418 4.539 4.120 0.001 0.000 0.283 213 V C 0.075 176.285 176.094 0.195 0.000 1.023 213 V CA -0.737 61.683 62.300 0.199 0.000 0.857 213 V CB 1.314 33.329 31.823 0.321 0.000 0.985 213 V HN 1.034 nan 8.190 nan 0.000 0.443 214 D N 2.443 122.913 120.400 0.118 0.000 2.615 214 D HA 0.422 5.063 4.640 0.001 0.000 0.274 214 D C -0.133 176.212 176.300 0.074 0.000 1.512 214 D CA 0.152 54.211 54.000 0.099 0.000 0.803 214 D CB 0.728 41.572 40.800 0.074 0.000 1.182 214 D HN 0.614 nan 8.370 nan 0.000 0.473 215 A N 0.107 122.964 122.820 0.062 0.000 2.449 215 A HA 0.509 4.829 4.320 0.001 0.000 0.302 215 A C -1.009 176.589 177.584 0.023 0.000 1.048 215 A CA -0.812 51.259 52.037 0.056 0.000 0.708 215 A CB 1.337 20.378 19.000 0.069 0.000 1.274 215 A HN 0.034 nan 8.150 nan 0.000 0.410 216 D N 2.303 122.706 120.400 0.005 0.000 2.363 216 D HA 0.077 4.718 4.640 0.001 0.000 0.263 216 D C 0.855 177.171 176.300 0.025 0.000 1.258 216 D CA 0.455 54.438 54.000 -0.028 0.000 0.907 216 D CB 1.011 41.737 40.800 -0.123 0.000 1.107 216 D HN 0.782 nan 8.370 nan 0.000 0.495 217 E N 1.678 121.888 120.200 0.017 0.000 2.479 217 E HA -0.143 4.208 4.350 0.001 0.000 0.193 217 E C 1.038 177.705 176.600 0.112 0.000 1.049 217 E CA 0.059 56.484 56.400 0.042 0.000 0.870 217 E CB 0.004 29.689 29.700 -0.026 0.000 0.944 217 E HN 0.466 nan 8.360 nan 0.000 0.492 218 Y N 1.590 121.877 120.300 -0.022 0.000 2.510 218 Y HA 0.294 4.845 4.550 0.001 0.000 0.273 218 Y C 0.447 176.350 175.900 0.004 0.000 1.119 218 Y CA -0.748 57.348 58.100 -0.007 0.000 1.286 218 Y CB 0.426 38.876 38.460 -0.015 0.000 1.061 218 Y HN -0.090 nan 8.280 nan 0.000 0.542 219 I N 4.828 125.370 120.570 -0.046 0.000 2.598 219 I HA 0.032 4.203 4.170 0.001 0.000 0.284 219 I C 0.044 176.079 176.117 -0.137 0.000 1.140 219 I CA 0.131 61.347 61.300 -0.140 0.000 1.420 219 I CB 0.335 38.264 38.000 -0.117 0.000 1.387 219 I HN 0.096 nan 8.210 nan 0.000 0.553 220 R N 5.051 125.441 120.500 -0.184 0.000 2.297 220 R HA 0.425 4.766 4.340 0.001 0.000 0.308 220 R C -0.929 175.324 176.300 -0.079 0.000 1.029 220 R CA -0.819 55.237 56.100 -0.073 0.000 0.929 220 R CB 0.467 30.707 30.300 -0.099 0.000 1.046 220 R HN 0.479 nan 8.270 nan 0.000 0.461 221 H N 0.837 119.879 119.070 -0.046 0.000 2.580 221 H HA 0.281 4.837 4.556 0.001 0.000 0.322 221 H C 1.093 176.404 175.328 -0.028 0.000 1.082 221 H CA 0.843 56.874 56.048 -0.028 0.000 1.383 221 H CB 1.506 31.256 29.762 -0.020 0.000 1.450 221 H HN 1.004 nan 8.280 nan 0.000 0.505 222 G N 1.799 110.631 108.800 0.054 0.000 2.182 222 G HA2 -0.174 3.787 3.960 0.001 0.000 0.248 222 G HA3 -0.174 3.787 3.960 0.001 0.000 0.248 222 G C 0.365 175.268 174.900 0.004 0.000 1.042 222 G CA -0.106 45.011 45.100 0.028 0.000 0.775 222 G HN 0.913 nan 8.290 nan 0.000 0.501 223 A N 0.208 123.019 122.820 -0.016 0.000 2.511 223 A HA 0.689 5.010 4.320 0.001 0.000 0.242 223 A C 0.967 178.542 177.584 -0.016 0.000 1.069 223 A CA 1.386 53.410 52.037 -0.022 0.000 0.763 223 A CB 0.280 19.255 19.000 -0.041 0.000 1.001 223 A HN 2.006 nan 8.150 nan 0.000 0.498 224 T N 0.082 114.630 114.554 -0.009 0.000 2.916 224 T HA 0.481 4.832 4.350 0.001 0.000 0.292 224 T C 0.675 175.376 174.700 0.001 0.000 1.055 224 T CA -0.737 61.361 62.100 -0.004 0.000 1.009 224 T CB 0.858 69.725 68.868 -0.002 0.000 1.118 224 T HN 0.270 nan 8.240 nan 0.000 0.497 225 L N 1.136 122.362 121.223 0.004 0.000 2.046 225 L HA 0.030 4.371 4.340 0.001 0.000 0.208 225 L C 2.002 178.879 176.870 0.010 0.000 1.077 225 L CA 1.817 56.663 54.840 0.011 0.000 0.747 225 L CB -1.297 40.769 42.059 0.012 0.000 0.896 225 L HN 0.811 nan 8.230 nan 0.000 0.432 226 D N -0.988 119.416 120.400 0.007 0.000 2.103 226 D HA -0.209 4.432 4.640 0.001 0.000 0.190 226 D C 2.409 178.712 176.300 0.005 0.000 0.997 226 D CA 1.896 55.900 54.000 0.006 0.000 0.833 226 D CB -0.242 40.560 40.800 0.004 0.000 0.961 226 D HN 0.463 nan 8.370 nan 0.000 0.447 227 S N -0.420 115.282 115.700 0.003 0.000 2.368 227 S HA -0.206 4.265 4.470 0.001 0.000 0.225 227 S C 1.987 176.590 174.600 0.004 0.000 1.030 227 S CA 1.183 59.384 58.200 0.002 0.000 0.999 227 S CB -0.388 62.811 63.200 -0.002 0.000 0.844 227 S HN 0.089 nan 8.310 nan 0.000 0.459 228 M N 2.603 122.207 119.600 0.008 0.000 2.149 228 M HA 0.093 4.574 4.480 0.001 0.000 0.261 228 M C 2.232 178.543 176.300 0.018 0.000 1.064 228 M CA 1.503 56.812 55.300 0.016 0.000 1.102 228 M CB -1.048 31.567 32.600 0.024 0.000 1.369 228 M HN 0.490 nan 8.290 nan 0.000 0.408 229 A N -0.880 121.949 122.820 0.015 0.000 2.014 229 A HA -0.131 4.190 4.320 0.001 0.000 0.218 229 A C 2.053 179.643 177.584 0.009 0.000 1.163 229 A CA 1.405 53.451 52.037 0.015 0.000 0.652 229 A CB -0.572 18.437 19.000 0.014 0.000 0.808 229 A HN 0.576 nan 8.150 nan 0.000 0.449 230 K N -0.295 120.108 120.400 0.006 0.000 2.366 230 K HA 0.142 4.463 4.320 0.001 0.000 0.198 230 K C -0.026 176.573 176.600 -0.001 0.000 1.044 230 K CA 0.042 56.330 56.287 0.002 0.000 0.973 230 K CB -0.260 32.241 32.500 0.001 0.000 0.767 230 K HN 0.436 nan 8.250 nan 0.000 0.475 231 L N 1.679 122.902 121.223 0.000 0.000 2.461 231 L HA 0.111 4.451 4.340 0.001 0.000 0.272 231 L C 0.561 177.425 176.870 -0.010 0.000 1.197 231 L CA -0.216 54.621 54.840 -0.006 0.000 0.836 231 L CB 0.273 42.331 42.059 -0.001 0.000 1.105 231 L HN 0.040 nan 8.230 nan 0.000 0.477 232 R N 1.940 122.426 120.500 -0.023 0.000 2.536 232 R HA 0.359 4.699 4.340 0.001 0.000 0.279 232 R C -2.282 173.989 176.300 -0.049 0.000 1.001 232 R CA -1.741 54.341 56.100 -0.031 0.000 1.027 232 R CB 0.868 31.147 30.300 -0.035 0.000 1.096 232 R HN 0.329 nan 8.270 nan 0.000 0.502 233 P HA -0.091 nan 4.420 nan 0.000 0.261 233 P C -0.521 176.696 177.300 -0.139 0.000 1.173 233 P CA 0.511 63.579 63.100 -0.053 0.000 0.760 233 P CB 0.787 32.471 31.700 -0.026 0.000 0.783 234 A N 2.342 125.008 122.820 -0.257 0.000 2.030 234 A HA 0.034 4.354 4.320 0.001 0.000 0.215 234 A C 1.031 178.114 177.584 -0.835 0.000 1.164 234 A CA 1.138 52.803 52.037 -0.620 0.000 0.697 234 A CB -0.691 17.759 19.000 -0.916 0.000 0.827 234 A HN 0.522 nan 8.150 nan 0.000 0.457 235 F N -1.332 118.577 119.950 -0.069 0.000 2.729 235 F HA 0.282 4.809 4.527 0.001 0.000 0.304 235 F C 0.147 175.906 175.800 -0.068 0.000 1.008 235 F CA -0.513 57.437 58.000 -0.084 0.000 1.188 235 F CB 0.544 39.477 39.000 -0.113 0.000 0.980 235 F HN 0.044 nan 8.300 nan 0.000 0.627 236 D N 0.250 120.710 120.400 0.099 0.000 2.492 236 D HA 0.253 4.894 4.640 0.001 0.000 0.248 236 D C 0.688 176.994 176.300 0.010 0.000 1.101 236 D CA -0.284 53.739 54.000 0.038 0.000 0.840 236 D CB 1.739 42.548 40.800 0.015 0.000 1.209 236 D HN -0.286 nan 8.370 nan 0.000 0.524 237 K N 1.619 122.021 120.400 0.004 0.000 2.286 237 K HA -0.122 4.198 4.320 0.001 0.000 0.203 237 K C 0.639 177.237 176.600 -0.003 0.000 1.045 237 K CA 1.150 57.434 56.287 -0.004 0.000 0.935 237 K CB 0.033 32.533 32.500 -0.000 0.000 0.737 237 K HN 0.634 nan 8.250 nan 0.000 0.460 238 E N -1.178 119.022 120.200 -0.001 0.000 3.157 238 E HA 0.270 4.620 4.350 0.001 0.000 0.203 238 E C 0.452 177.052 176.600 -0.001 0.000 0.982 238 E CA -0.385 56.014 56.400 -0.001 0.000 1.217 238 E CB 0.520 30.219 29.700 -0.002 0.000 1.123 238 E HN 0.073 nan 8.360 nan 0.000 0.457 239 G N 0.283 109.085 108.800 0.003 0.000 2.543 239 G HA2 0.187 4.148 3.960 0.001 0.000 0.290 239 G HA3 0.187 4.148 3.960 0.001 0.000 0.290 239 G C 0.379 175.287 174.900 0.014 0.000 1.310 239 G CA 0.079 45.183 45.100 0.007 0.000 1.025 239 G HN 0.086 nan 8.290 nan 0.000 0.502 240 T N -1.773 112.793 114.554 0.020 0.000 2.969 240 T HA 0.162 4.513 4.350 0.001 0.000 0.250 240 T C 0.610 175.341 174.700 0.052 0.000 1.021 240 T CA 0.023 62.139 62.100 0.028 0.000 1.003 240 T CB 0.001 68.882 68.868 0.021 0.000 1.040 240 T HN 0.168 nan 8.240 nan 0.000 0.492 241 V N 3.906 123.867 119.914 0.079 0.000 2.488 241 V HA 0.498 4.619 4.120 0.001 0.000 0.277 241 V C 0.760 176.931 176.094 0.128 0.000 1.046 241 V CA -0.156 62.235 62.300 0.151 0.000 0.986 241 V CB 0.829 32.784 31.823 0.219 0.000 0.989 241 V HN 0.677 nan 8.190 nan 0.000 0.475 242 T N 1.728 116.349 114.554 0.112 0.000 2.888 242 T HA 0.668 5.018 4.350 0.001 0.000 0.288 242 T C 1.062 175.795 174.700 0.055 0.000 1.063 242 T CA -0.083 62.031 62.100 0.023 0.000 1.010 242 T CB 1.932 70.812 68.868 0.019 0.000 1.214 242 T HN 0.612 nan 8.240 nan 0.000 0.533 243 A N 0.049 122.862 122.820 -0.011 0.000 2.070 243 A HA 0.212 4.533 4.320 0.001 0.000 0.220 243 A C 2.201 179.829 177.584 0.073 0.000 1.159 243 A CA 1.822 53.877 52.037 0.029 0.000 0.656 243 A CB -1.509 17.488 19.000 -0.005 0.000 0.800 243 A HN 1.106 nan 8.150 nan 0.000 0.453 244 G N 0.662 109.497 108.800 0.058 0.000 2.426 244 G HA2 -0.140 3.821 3.960 0.001 0.000 0.214 244 G HA3 -0.140 3.821 3.960 0.001 0.000 0.214 244 G C 1.043 175.996 174.900 0.089 0.000 1.156 244 G CA 0.904 46.038 45.100 0.055 0.000 0.802 244 G HN 0.750 nan 8.290 nan 0.000 0.534 245 N N 0.389 119.162 118.700 0.121 0.000 2.235 245 N HA 0.459 5.199 4.740 0.001 0.000 0.209 245 N C 0.218 175.847 175.510 0.199 0.000 1.122 245 N CA 0.175 53.321 53.050 0.160 0.000 0.845 245 N CB 0.412 38.990 38.487 0.151 0.000 1.004 245 N HN 0.290 nan 8.380 nan 0.000 0.499 246 A N 0.020 122.958 122.820 0.197 0.000 2.337 246 A HA 0.713 5.033 4.320 0.001 0.000 0.331 246 A C 0.339 177.933 177.584 0.015 0.000 1.137 246 A CA -0.569 51.573 52.037 0.175 0.000 0.807 246 A CB 0.808 20.053 19.000 0.408 0.000 1.250 246 A HN 0.372 nan 8.150 nan 0.000 0.468 247 S N 0.503 116.062 115.700 -0.236 0.000 2.606 247 S HA 0.553 5.023 4.470 0.001 0.000 0.257 247 S C 0.602 175.170 174.600 -0.053 0.000 1.327 247 S CA 0.078 58.192 58.200 -0.145 0.000 0.984 247 S CB 0.553 63.546 63.200 -0.346 0.000 0.941 247 S HN 1.548 nan 8.310 nan 0.000 0.576 248 G N -0.717 108.059 108.800 -0.041 0.000 2.552 248 G HA2 0.597 4.558 3.960 0.001 0.000 0.324 248 G HA3 0.597 4.558 3.960 0.001 0.000 0.324 248 G C -0.916 173.835 174.900 -0.248 0.000 1.217 248 G CA -1.336 43.658 45.100 -0.177 0.000 0.989 248 G HN 0.740 nan 8.290 nan 0.000 0.490 249 L N 0.643 121.684 121.223 -0.304 0.000 2.292 249 L HA 0.468 4.809 4.340 0.001 0.000 0.284 249 L C -0.274 176.463 176.870 -0.223 0.000 1.065 249 L CA -0.563 54.080 54.840 -0.329 0.000 0.806 249 L CB 1.179 42.791 42.059 -0.746 0.000 1.175 249 L HN 0.521 nan 8.230 nan 0.000 0.431 250 N N 0.845 119.490 118.700 -0.091 0.000 2.825 250 N HA 0.478 5.219 4.740 0.001 0.000 0.253 250 N C -1.922 173.609 175.510 0.034 0.000 1.426 250 N CA -0.934 52.086 53.050 -0.050 0.000 0.851 250 N CB 1.805 40.185 38.487 -0.179 0.000 1.470 250 N HN 0.418 nan 8.380 nan 0.000 0.517 251 D N -0.445 119.988 120.400 0.054 0.000 2.457 251 D HA 0.778 5.418 4.640 0.001 0.000 0.240 251 D C -0.020 176.348 176.300 0.113 0.000 1.041 251 D CA -0.310 53.747 54.000 0.096 0.000 0.861 251 D CB 1.984 42.901 40.800 0.196 0.000 1.394 251 D HN 0.671 nan 8.370 nan 0.000 0.473 252 G N -0.802 108.014 108.800 0.027 0.000 2.315 252 G HA2 0.627 4.588 3.960 0.001 0.000 0.294 252 G HA3 0.627 4.588 3.960 0.001 0.000 0.294 252 G C -1.984 172.857 174.900 -0.099 0.000 1.300 252 G CA -0.115 44.976 45.100 -0.015 0.000 0.843 252 G HN 0.680 nan 8.290 nan 0.000 0.527 253 A N -1.480 121.277 122.820 -0.105 0.000 2.609 253 A HA 1.158 5.478 4.320 0.001 0.000 0.291 253 A C -0.423 177.120 177.584 -0.068 0.000 1.096 253 A CA 0.327 52.303 52.037 -0.101 0.000 0.684 253 A CB 1.347 20.270 19.000 -0.129 0.000 1.282 253 A HN 2.662 nan 8.150 nan 0.000 0.412 254 A N -0.621 122.164 122.820 -0.060 0.000 2.604 254 A HA 1.040 5.360 4.320 0.001 0.000 0.295 254 A C -0.532 177.030 177.584 -0.037 0.000 1.067 254 A CA 0.171 52.187 52.037 -0.034 0.000 0.683 254 A CB 0.939 19.922 19.000 -0.028 0.000 1.281 254 A HN 2.741 nan 8.150 nan 0.000 0.407 255 A N -0.301 122.510 122.820 -0.015 0.000 2.581 255 A HA 1.067 5.387 4.320 0.001 0.000 0.290 255 A C -0.670 176.907 177.584 -0.011 0.000 1.119 255 A CA -0.052 51.968 52.037 -0.029 0.000 0.670 255 A CB 0.879 19.856 19.000 -0.038 0.000 1.280 255 A HN 2.692 nan 8.150 nan 0.000 0.425 256 A N -0.218 122.584 122.820 -0.031 0.000 2.486 256 A HA 0.692 5.012 4.320 0.001 0.000 0.300 256 A C -1.442 176.122 177.584 -0.034 0.000 1.048 256 A CA -0.328 51.693 52.037 -0.027 0.000 0.696 256 A CB 1.200 20.177 19.000 -0.039 0.000 1.278 256 A HN 1.740 nan 8.150 nan 0.000 0.405 257 L N 2.536 123.745 121.223 -0.024 0.000 2.264 257 L HA 0.618 4.958 4.340 0.001 0.000 0.289 257 L C -1.467 175.387 176.870 -0.027 0.000 1.044 257 L CA -0.587 54.239 54.840 -0.024 0.000 0.807 257 L CB 0.676 42.728 42.059 -0.011 0.000 1.192 257 L HN 0.615 nan 8.230 nan 0.000 0.425 258 L N 6.650 127.855 121.223 -0.030 0.000 2.325 258 L HA 0.712 5.053 4.340 0.001 0.000 0.278 258 L C -0.015 176.845 176.870 -0.016 0.000 1.023 258 L CA -0.192 54.632 54.840 -0.027 0.000 0.811 258 L CB 1.658 43.696 42.059 -0.036 0.000 1.249 258 L HN 0.778 nan 8.230 nan 0.000 0.431 259 M N -0.192 119.402 119.600 -0.011 0.000 2.949 259 M HA 0.588 5.069 4.480 0.001 0.000 0.270 259 M C -0.622 175.678 176.300 -0.000 0.000 1.221 259 M CA -0.786 54.511 55.300 -0.004 0.000 0.818 259 M CB 1.955 34.553 32.600 -0.003 0.000 1.635 259 M HN 0.422 nan 8.290 nan 0.000 0.492 260 S N -0.268 115.435 115.700 0.004 0.000 2.579 260 S HA 0.121 4.591 4.470 0.001 0.000 0.275 260 S C 0.665 175.269 174.600 0.007 0.000 1.345 260 S CA 0.433 58.637 58.200 0.007 0.000 1.031 260 S CB 1.144 64.350 63.200 0.009 0.000 0.892 260 S HN 0.971 nan 8.310 nan 0.000 0.529 261 E N 1.922 122.127 120.200 0.009 0.000 2.153 261 E HA -0.159 4.192 4.350 0.001 0.000 0.194 261 E C 1.939 178.544 176.600 0.009 0.000 0.988 261 E CA 1.181 57.587 56.400 0.010 0.000 0.811 261 E CB -0.503 29.205 29.700 0.014 0.000 0.746 261 E HN 0.875 nan 8.360 nan 0.000 0.466 262 A N 0.688 123.513 122.820 0.009 0.000 2.016 262 A HA -0.133 4.187 4.320 0.001 0.000 0.217 262 A C 1.952 179.541 177.584 0.007 0.000 1.162 262 A CA 1.346 53.388 52.037 0.009 0.000 0.662 262 A CB -0.318 18.688 19.000 0.009 0.000 0.812 262 A HN 0.297 nan 8.150 nan 0.000 0.450 263 E N 0.648 120.852 120.200 0.007 0.000 2.047 263 E HA -0.042 4.308 4.350 0.001 0.000 0.191 263 E C 1.985 178.588 176.600 0.005 0.000 0.987 263 E CA 1.595 57.999 56.400 0.006 0.000 0.799 263 E CB -0.474 29.229 29.700 0.005 0.000 0.752 263 E HN 0.419 nan 8.360 nan 0.000 0.449 264 A N 0.110 122.933 122.820 0.004 0.000 1.908 264 A HA -0.204 4.117 4.320 0.001 0.000 0.218 264 A C 2.465 180.052 177.584 0.004 0.000 1.181 264 A CA 2.125 54.164 52.037 0.003 0.000 0.627 264 A CB -1.137 17.863 19.000 0.001 0.000 0.818 264 A HN 0.354 nan 8.150 nan 0.000 0.445 265 S N -0.848 114.855 115.700 0.005 0.000 2.383 265 S HA -0.161 4.310 4.470 0.001 0.000 0.227 265 S C 2.153 176.757 174.600 0.006 0.000 1.026 265 S CA 1.265 59.468 58.200 0.006 0.000 0.981 265 S CB -0.368 62.837 63.200 0.007 0.000 0.818 265 S HN 0.599 nan 8.310 nan 0.000 0.472 266 R N 0.283 120.787 120.500 0.006 0.000 2.091 266 R HA 0.031 4.372 4.340 0.001 0.000 0.238 266 R C 2.453 178.756 176.300 0.005 0.000 1.136 266 R CA 1.565 57.668 56.100 0.006 0.000 0.959 266 R CB -0.200 30.103 30.300 0.006 0.000 0.856 266 R HN 0.387 nan 8.270 nan 0.000 0.437 267 R N -0.921 119.582 120.500 0.005 0.000 2.299 267 R HA 0.055 4.395 4.340 0.001 0.000 0.197 267 R C 1.062 177.365 176.300 0.006 0.000 0.971 267 R CA 0.579 56.682 56.100 0.005 0.000 1.030 267 R CB 0.497 30.800 30.300 0.005 0.000 0.932 267 R HN 0.436 nan 8.270 nan 0.000 0.477 268 G N 1.385 110.189 108.800 0.006 0.000 2.162 268 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 268 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 268 G C 0.226 175.129 174.900 0.006 0.000 0.976 268 G CA -0.121 44.982 45.100 0.006 0.000 0.655 268 G HN 0.236 nan 8.290 nan 0.000 0.533 269 I N 1.074 121.648 120.570 0.005 0.000 2.496 269 I HA 0.188 4.358 4.170 0.001 0.000 0.285 269 I C 0.259 176.378 176.117 0.002 0.000 1.080 269 I CA -0.211 61.092 61.300 0.005 0.000 1.404 269 I CB 0.972 38.974 38.000 0.003 0.000 1.403 269 I HN -0.015 nan 8.210 nan 0.000 0.539 270 Q N 7.300 127.102 119.800 0.002 0.000 2.456 270 Q HA 0.369 4.710 4.340 0.001 0.000 0.234 270 Q C -2.226 173.767 176.000 -0.013 0.000 1.061 270 Q CA -1.872 53.930 55.803 -0.002 0.000 0.896 270 Q CB 0.485 29.223 28.738 0.001 0.000 1.233 270 Q HN 0.338 nan 8.270 nan 0.000 0.506 271 P HA 0.026 nan 4.420 nan 0.000 0.270 271 P C 0.644 177.913 177.300 -0.052 0.000 1.223 271 P CA -0.473 62.609 63.100 -0.030 0.000 0.785 271 P CB 0.832 32.521 31.700 -0.019 0.000 0.923 272 L N 0.190 121.360 121.223 -0.087 0.000 2.240 272 L HA 0.262 4.602 4.340 0.001 0.000 0.211 272 L C 1.244 178.058 176.870 -0.093 0.000 1.106 272 L CA 1.446 56.202 54.840 -0.140 0.000 0.793 272 L CB -1.251 40.661 42.059 -0.245 0.000 0.927 272 L HN 0.681 nan 8.230 nan 0.000 0.446 273 G N -1.502 107.265 108.800 -0.054 0.000 2.368 273 G HA2 0.348 4.309 3.960 0.001 0.000 0.293 273 G HA3 0.348 4.309 3.960 0.001 0.000 0.293 273 G C -1.423 173.480 174.900 0.005 0.000 1.467 273 G CA -0.908 44.182 45.100 -0.016 0.000 0.804 273 G HN -0.080 nan 8.290 nan 0.000 0.535 274 R N 0.188 120.709 120.500 0.035 0.000 2.393 274 R HA 0.617 4.958 4.340 0.001 0.000 0.310 274 R C -0.372 175.958 176.300 0.050 0.000 0.968 274 R CA -0.846 55.278 56.100 0.039 0.000 0.867 274 R CB 0.971 31.301 30.300 0.050 0.000 1.124 274 R HN 0.407 nan 8.270 nan 0.000 0.450 275 I N 6.282 126.872 120.570 0.033 0.000 2.421 275 I HA -0.030 4.140 4.170 0.001 0.000 0.291 275 I C 1.521 177.653 176.117 0.025 0.000 1.089 275 I CA -0.154 61.167 61.300 0.035 0.000 1.354 275 I CB 1.323 39.342 38.000 0.031 0.000 1.413 275 I HN 0.606 nan 8.210 nan 0.000 0.513 276 V N 2.468 122.375 119.914 -0.012 0.000 2.992 276 V HA 0.198 4.319 4.120 0.001 0.000 0.250 276 V C 0.729 176.741 176.094 -0.137 0.000 1.090 276 V CA 0.981 63.222 62.300 -0.099 0.000 1.101 276 V CB -0.339 31.349 31.823 -0.224 0.000 0.743 276 V HN 0.772 nan 8.190 nan 0.000 0.468 277 S N -1.117 114.528 115.700 -0.092 0.000 2.643 277 S HA 0.637 5.108 4.470 0.001 0.000 0.266 277 S C -1.492 173.189 174.600 0.135 0.000 1.130 277 S CA -0.311 57.871 58.200 -0.030 0.000 0.817 277 S CB 1.442 64.527 63.200 -0.191 0.000 1.107 277 S HN 1.315 nan 8.310 nan 0.000 0.471 278 W N -0.147 121.114 121.300 -0.066 0.000 2.988 278 W HA 0.850 5.511 4.660 0.001 0.000 0.355 278 W C -1.660 174.847 176.519 -0.020 0.000 1.233 278 W CA -0.854 56.472 57.345 -0.031 0.000 1.176 278 W CB 0.882 30.333 29.460 -0.015 0.000 1.477 278 W HN 1.636 nan 8.180 nan 0.000 0.582 279 A N 0.994 123.775 122.820 -0.065 0.000 2.590 279 A HA 0.604 4.925 4.320 0.001 0.000 0.294 279 A C -1.701 175.902 177.584 0.031 0.000 1.046 279 A CA -0.255 51.553 52.037 -0.382 0.000 0.684 279 A CB 1.407 20.249 19.000 -0.264 0.000 1.279 279 A HN 0.847 nan 8.150 nan 0.000 0.415 280 T N 0.516 115.062 114.554 -0.015 0.000 2.916 280 T HA 0.680 5.030 4.350 0.001 0.000 0.298 280 T C -1.394 173.338 174.700 0.053 0.000 1.031 280 T CA -0.236 61.944 62.100 0.133 0.000 0.993 280 T CB 1.139 70.184 68.868 0.295 0.000 1.045 280 T HN 1.414 nan 8.240 nan 0.000 0.454 281 V N 2.626 122.576 119.914 0.060 0.000 3.007 281 V HA 0.862 4.983 4.120 0.001 0.000 0.311 281 V C 0.773 176.897 176.094 0.050 0.000 1.120 281 V CA -0.978 61.344 62.300 0.036 0.000 0.980 281 V CB 2.144 33.977 31.823 0.017 0.000 1.033 281 V HN 1.060 nan 8.190 nan 0.000 0.429 282 G N 0.603 109.425 108.800 0.037 0.000 2.451 282 G HA2 0.761 4.722 3.960 0.001 0.000 0.303 282 G HA3 0.761 4.722 3.960 0.001 0.000 0.303 282 G C -0.629 174.288 174.900 0.029 0.000 1.166 282 G CA -0.186 44.937 45.100 0.037 0.000 0.884 282 G HN 1.351 nan 8.290 nan 0.000 0.514 283 V N -1.904 118.029 119.914 0.031 0.000 3.202 283 V HA 0.579 4.699 4.120 0.001 0.000 0.306 283 V C -0.730 175.375 176.094 0.018 0.000 1.283 283 V CA -1.318 60.998 62.300 0.025 0.000 1.065 283 V CB 1.674 33.520 31.823 0.039 0.000 1.079 283 V HN 0.612 nan 8.190 nan 0.000 0.448 284 D N 1.739 122.147 120.400 0.013 0.000 2.487 284 D HA 0.214 4.854 4.640 0.001 0.000 0.243 284 D C -1.634 174.683 176.300 0.029 0.000 1.154 284 D CA -1.132 52.874 54.000 0.009 0.000 0.876 284 D CB 1.834 42.635 40.800 0.002 0.000 1.161 284 D HN 0.399 nan 8.370 nan 0.000 0.478 285 P HA -0.152 nan 4.420 nan 0.000 0.217 285 P C 1.051 178.386 177.300 0.058 0.000 1.148 285 P CA 1.404 64.581 63.100 0.128 0.000 0.828 285 P CB 0.211 32.084 31.700 0.290 0.000 0.783 286 K N -0.437 119.917 120.400 -0.077 0.000 2.152 286 K HA -0.062 4.258 4.320 0.001 0.000 0.206 286 K C 0.968 177.519 176.600 -0.082 0.000 1.048 286 K CA 1.557 57.726 56.287 -0.196 0.000 0.933 286 K CB -0.386 31.910 32.500 -0.340 0.000 0.721 286 K HN 0.178 nan 8.250 nan 0.000 0.447 287 V N -0.493 119.399 119.914 -0.037 0.000 2.759 287 V HA 0.129 4.250 4.120 0.001 0.000 0.342 287 V C 0.968 177.075 176.094 0.022 0.000 1.228 287 V CA -0.535 61.760 62.300 -0.009 0.000 1.302 287 V CB 0.028 31.861 31.823 0.017 0.000 1.496 287 V HN 0.150 nan 8.190 nan 0.000 0.628 288 M N 0.700 120.317 119.600 0.028 0.000 2.260 288 M HA 0.093 4.574 4.480 0.001 0.000 0.261 288 M C 1.692 178.026 176.300 0.056 0.000 1.066 288 M CA 2.554 57.886 55.300 0.054 0.000 1.082 288 M CB -1.270 31.372 32.600 0.070 0.000 1.388 288 M HN 0.330 nan 8.290 nan 0.000 0.419 289 G N -0.111 108.715 108.800 0.042 0.000 2.559 289 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 289 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 289 G C 1.499 176.418 174.900 0.032 0.000 1.126 289 G CA 0.991 46.118 45.100 0.045 0.000 0.778 289 G HN 0.710 nan 8.290 nan 0.000 0.543 290 T N -2.209 112.375 114.554 0.049 0.000 3.088 290 T HA 0.172 4.522 4.350 0.001 0.000 0.259 290 T C 2.387 177.121 174.700 0.057 0.000 1.122 290 T CA 1.013 63.150 62.100 0.061 0.000 1.095 290 T CB 0.045 68.981 68.868 0.113 0.000 0.930 290 T HN 0.149 nan 8.240 nan 0.000 0.508 291 G N 2.958 111.795 108.800 0.061 0.000 2.547 291 G HA2 -0.197 3.763 3.960 0.001 0.000 0.221 291 G HA3 -0.197 3.763 3.960 0.001 0.000 0.221 291 G C -0.567 174.377 174.900 0.072 0.000 1.140 291 G CA 0.899 46.039 45.100 0.067 0.000 0.760 291 G HN 0.468 nan 8.290 nan 0.000 0.583 292 P HA -0.005 nan 4.420 nan 0.000 0.221 292 P C 1.790 179.142 177.300 0.087 0.000 1.145 292 P CA 0.580 63.742 63.100 0.104 0.000 0.795 292 P CB -0.028 31.749 31.700 0.128 0.000 0.775 293 I N 0.767 121.363 120.570 0.044 0.000 2.133 293 I HA -0.115 4.055 4.170 0.001 0.000 0.238 293 I C -0.339 175.790 176.117 0.021 0.000 1.074 293 I CA 1.683 62.988 61.300 0.008 0.000 1.342 293 I CB -2.166 35.839 38.000 0.009 0.000 1.053 293 I HN 0.034 nan 8.210 nan 0.000 0.404 294 P HA -0.143 nan 4.420 nan 0.000 0.217 294 P C 1.484 178.800 177.300 0.027 0.000 1.150 294 P CA 1.945 65.059 63.100 0.023 0.000 0.832 294 P CB 0.007 31.721 31.700 0.023 0.000 0.787 295 A N 0.509 123.359 122.820 0.048 0.000 1.883 295 A HA -0.159 4.162 4.320 0.001 0.000 0.217 295 A C 2.520 180.147 177.584 0.073 0.000 1.186 295 A CA 2.377 54.450 52.037 0.059 0.000 0.624 295 A CB -1.582 17.473 19.000 0.092 0.000 0.822 295 A HN 0.188 nan 8.150 nan 0.000 0.444 296 S N -0.555 115.212 115.700 0.112 0.000 2.383 296 S HA -0.128 4.342 4.470 0.001 0.000 0.227 296 S C 2.060 176.731 174.600 0.117 0.000 1.026 296 S CA 1.341 59.641 58.200 0.167 0.000 0.981 296 S CB -0.285 63.087 63.200 0.286 0.000 0.818 296 S HN 0.596 nan 8.310 nan 0.000 0.472 297 R N 1.022 121.560 120.500 0.062 0.000 2.090 297 R HA 0.065 4.406 4.340 0.001 0.000 0.228 297 R C 2.347 178.656 176.300 0.014 0.000 1.110 297 R CA 0.768 56.890 56.100 0.037 0.000 0.973 297 R CB -0.168 30.138 30.300 0.009 0.000 0.869 297 R HN 0.091 nan 8.270 nan 0.000 0.440 298 K N 1.193 121.588 120.400 -0.008 0.000 2.026 298 K HA -0.043 4.277 4.320 0.001 0.000 0.208 298 K C 1.957 178.511 176.600 -0.078 0.000 1.048 298 K CA 1.649 57.906 56.287 -0.051 0.000 0.929 298 K CB -0.349 32.106 32.500 -0.075 0.000 0.713 298 K HN 0.135 nan 8.250 nan 0.000 0.439 299 A N 1.358 124.145 122.820 -0.055 0.000 1.892 299 A HA -0.166 4.155 4.320 0.001 0.000 0.218 299 A C 2.437 179.967 177.584 -0.090 0.000 1.188 299 A CA 1.618 53.610 52.037 -0.074 0.000 0.631 299 A CB -0.692 18.310 19.000 0.003 0.000 0.822 299 A HN 0.312 nan 8.150 nan 0.000 0.447 300 L N -1.031 120.190 121.223 -0.003 0.000 2.093 300 L HA -0.180 4.160 4.340 0.001 0.000 0.208 300 L C 2.711 179.571 176.870 -0.017 0.000 1.085 300 L CA 1.665 56.528 54.840 0.037 0.000 0.755 300 L CB -0.470 41.685 42.059 0.162 0.000 0.904 300 L HN 0.580 nan 8.230 nan 0.000 0.435 301 E N 0.592 120.778 120.200 -0.023 0.000 2.051 301 E HA -0.243 4.108 4.350 0.001 0.000 0.192 301 E C 2.307 178.855 176.600 -0.086 0.000 0.991 301 E CA 1.201 57.580 56.400 -0.035 0.000 0.799 301 E CB 0.087 29.766 29.700 -0.035 0.000 0.748 301 E HN 0.370 nan 8.360 nan 0.000 0.449 302 R N -0.426 119.997 120.500 -0.129 0.000 2.193 302 R HA -0.062 4.278 4.340 0.001 0.000 0.229 302 R C 2.054 178.221 176.300 -0.220 0.000 1.110 302 R CA 0.909 56.910 56.100 -0.166 0.000 0.988 302 R CB -0.043 30.134 30.300 -0.203 0.000 0.871 302 R HN 0.125 nan 8.270 nan 0.000 0.458 303 A N -0.385 122.246 122.820 -0.316 0.000 2.132 303 A HA 0.211 4.531 4.320 0.001 0.000 0.213 303 A C 1.412 178.729 177.584 -0.445 0.000 1.154 303 A CA 0.731 52.414 52.037 -0.589 0.000 0.753 303 A CB 0.099 18.386 19.000 -1.188 0.000 0.826 303 A HN 0.382 nan 8.150 nan 0.000 0.469 304 G N -2.466 106.236 108.800 -0.164 0.000 2.160 304 G HA2 -0.222 3.739 3.960 0.001 0.000 0.244 304 G HA3 -0.222 3.739 3.960 0.001 0.000 0.244 304 G C -0.381 174.678 174.900 0.264 0.000 1.022 304 G CA 0.255 45.375 45.100 0.032 0.000 0.741 304 G HN 0.348 nan 8.290 nan 0.000 0.508 305 W N 0.709 122.025 121.300 0.027 0.000 2.520 305 W HA 0.658 5.319 4.660 0.001 0.000 0.323 305 W C 0.596 177.139 176.519 0.041 0.000 1.062 305 W CA -1.809 55.557 57.345 0.035 0.000 1.215 305 W CB 0.934 30.420 29.460 0.044 0.000 1.340 305 W HN 0.012 nan 8.180 nan 0.000 0.516 306 K N 2.752 123.299 120.400 0.243 0.000 2.154 306 K HA 0.249 4.570 4.320 0.001 0.000 0.264 306 K C 1.366 178.069 176.600 0.171 0.000 1.008 306 K CA -0.600 55.782 56.287 0.158 0.000 0.937 306 K CB 1.410 33.967 32.500 0.096 0.000 1.002 306 K HN 0.354 nan 8.250 nan 0.000 0.469 307 I N 1.332 121.996 120.570 0.157 0.000 2.248 307 I HA -0.268 3.903 4.170 0.001 0.000 0.248 307 I C 2.025 178.247 176.117 0.174 0.000 1.107 307 I CA 1.696 63.114 61.300 0.198 0.000 1.373 307 I CB -0.476 37.614 38.000 0.151 0.000 1.055 307 I HN 0.908 nan 8.210 nan 0.000 0.418 308 G N -0.071 108.794 108.800 0.109 0.000 2.679 308 G HA2 -0.169 3.791 3.960 0.001 0.000 0.212 308 G HA3 -0.169 3.791 3.960 0.001 0.000 0.212 308 G C 1.067 175.979 174.900 0.021 0.000 1.137 308 G CA 0.346 45.489 45.100 0.072 0.000 0.787 308 G HN 0.312 nan 8.290 nan 0.000 0.534 309 D N 0.296 120.695 120.400 -0.002 0.000 2.269 309 D HA 0.013 4.653 4.640 0.001 0.000 0.208 309 D C 1.335 177.523 176.300 -0.187 0.000 0.963 309 D CA 0.096 54.018 54.000 -0.130 0.000 0.864 309 D CB 0.065 40.730 40.800 -0.226 0.000 0.936 309 D HN 0.248 nan 8.370 nan 0.000 0.505 310 L N 1.465 122.646 121.223 -0.070 0.000 2.453 310 L HA 0.014 4.355 4.340 0.001 0.000 0.272 310 L C 1.176 177.996 176.870 -0.083 0.000 1.182 310 L CA 0.019 54.815 54.840 -0.074 0.000 0.858 310 L CB 0.740 42.823 42.059 0.040 0.000 1.120 310 L HN -0.183 nan 8.230 nan 0.000 0.474 311 D N 2.048 122.381 120.400 -0.113 0.000 2.380 311 D HA 0.209 4.849 4.640 0.001 0.000 0.212 311 D C -0.119 176.132 176.300 -0.081 0.000 1.021 311 D CA 0.587 54.532 54.000 -0.090 0.000 0.884 311 D CB 0.892 41.632 40.800 -0.099 0.000 1.001 311 D HN 0.157 nan 8.370 nan 0.000 0.506 312 L N 0.085 121.252 121.223 -0.094 0.000 2.518 312 L HA 0.443 4.783 4.340 0.001 0.000 0.257 312 L C -1.838 174.935 176.870 -0.161 0.000 0.980 312 L CA -0.741 54.035 54.840 -0.108 0.000 0.837 312 L CB 2.573 44.591 42.059 -0.068 0.000 1.410 312 L HN -0.329 nan 8.230 nan 0.000 0.410 313 V N 2.836 122.613 119.914 -0.228 0.000 2.733 313 V HA 0.573 4.693 4.120 0.001 0.000 0.306 313 V C -1.174 174.779 176.094 -0.236 0.000 1.084 313 V CA -0.632 61.456 62.300 -0.354 0.000 0.905 313 V CB 2.062 33.404 31.823 -0.802 0.000 1.010 313 V HN 0.672 nan 8.190 nan 0.000 0.424 314 E N 3.342 123.448 120.200 -0.157 0.000 2.145 314 E HA 0.661 5.012 4.350 0.001 0.000 0.262 314 E C -0.505 176.071 176.600 -0.040 0.000 0.883 314 E CA -0.332 56.028 56.400 -0.066 0.000 0.748 314 E CB 2.103 31.797 29.700 -0.009 0.000 1.140 314 E HN 0.766 nan 8.360 nan 0.000 0.417 315 A N 2.516 125.335 122.820 -0.001 0.000 2.323 315 A HA 0.625 4.945 4.320 0.001 0.000 0.305 315 A C 0.257 177.911 177.584 0.117 0.000 1.275 315 A CA -0.560 51.528 52.037 0.085 0.000 0.804 315 A CB 0.705 19.804 19.000 0.165 0.000 1.152 315 A HN 0.606 nan 8.150 nan 0.000 0.487 316 A N 2.568 125.456 122.820 0.112 0.000 2.598 316 A HA 0.189 4.510 4.320 0.001 0.000 0.239 316 A C 0.359 178.015 177.584 0.119 0.000 1.032 316 A CA 0.537 52.651 52.037 0.129 0.000 0.760 316 A CB -0.183 18.910 19.000 0.156 0.000 0.946 316 A HN 0.771 nan 8.150 nan 0.000 0.512 317 E N 2.492 122.765 120.200 0.122 0.000 2.360 317 E HA 0.341 4.691 4.350 0.001 0.000 0.253 317 E C 1.258 177.816 176.600 -0.070 0.000 1.189 317 E CA 0.156 56.610 56.400 0.089 0.000 1.252 317 E CB 0.436 30.261 29.700 0.208 0.000 1.408 317 E HN 0.781 nan 8.360 nan 0.000 0.464 318 A N 2.108 124.826 122.820 -0.170 0.000 1.865 318 A HA -0.095 4.225 4.320 0.001 0.000 0.217 318 A C 0.388 177.475 177.584 -0.829 0.000 1.191 318 A CA 1.280 53.003 52.037 -0.524 0.000 0.623 318 A CB 0.013 18.837 19.000 -0.293 0.000 0.826 318 A HN 0.389 nan 8.150 nan 0.000 0.444 319 F N -4.312 115.591 119.950 -0.078 0.000 2.601 319 F HA 0.583 5.111 4.527 0.001 0.000 0.309 319 F C 1.062 176.779 175.800 -0.138 0.000 1.089 319 F CA -0.458 57.505 58.000 -0.061 0.000 0.940 319 F CB 1.603 40.566 39.000 -0.061 0.000 1.273 319 F HN 0.083 nan 8.300 nan 0.000 0.450 320 A N 1.700 124.548 122.820 0.047 0.000 1.948 320 A HA -0.120 4.200 4.320 0.001 0.000 0.220 320 A C 2.235 179.650 177.584 -0.283 0.000 1.177 320 A CA 2.401 54.300 52.037 -0.230 0.000 0.636 320 A CB -1.103 17.907 19.000 0.017 0.000 0.815 320 A HN 0.945 nan 8.150 nan 0.000 0.449 321 A N 0.173 122.954 122.820 -0.065 0.000 1.859 321 A HA -0.257 4.063 4.320 0.001 0.000 0.217 321 A C 2.154 179.642 177.584 -0.161 0.000 1.198 321 A CA 2.384 54.367 52.037 -0.092 0.000 0.629 321 A CB -0.719 18.248 19.000 -0.055 0.000 0.830 321 A HN 0.737 nan 8.150 nan 0.000 0.446 322 Q N -0.357 119.385 119.800 -0.096 0.000 2.137 322 Q HA 0.306 4.646 4.340 0.001 0.000 0.198 322 Q C 1.893 177.767 176.000 -0.209 0.000 0.960 322 Q CA 1.770 57.496 55.803 -0.129 0.000 0.847 322 Q CB -0.983 27.749 28.738 -0.010 0.000 0.915 322 Q HN 0.480 nan 8.270 nan 0.000 0.448 323 A N 0.924 123.600 122.820 -0.239 0.000 1.865 323 A HA -0.219 4.101 4.320 0.001 0.000 0.217 323 A C 2.377 179.752 177.584 -0.348 0.000 1.191 323 A CA 1.621 53.487 52.037 -0.284 0.000 0.623 323 A CB -1.336 17.398 19.000 -0.443 0.000 0.826 323 A HN 0.618 nan 8.150 nan 0.000 0.444 324 C N -1.001 117.983 119.300 -0.527 0.000 2.398 324 C HA -0.030 4.430 4.460 0.001 0.000 0.276 324 C C 3.322 178.068 174.990 -0.407 0.000 1.222 324 C CA 0.898 59.701 59.018 -0.359 0.000 1.746 324 C CB -1.576 25.985 27.740 -0.299 0.000 2.039 324 C HN 0.718 nan 8.230 nan 0.000 0.470 325 A N 0.422 122.886 122.820 -0.594 0.000 1.873 325 A HA -0.164 4.157 4.320 0.001 0.000 0.218 325 A C 2.313 179.367 177.584 -0.883 0.000 1.193 325 A CA 2.578 53.919 52.037 -1.160 0.000 0.629 325 A CB -0.966 17.267 19.000 -1.278 0.000 0.826 325 A HN 0.378 nan 8.150 nan 0.000 0.447 326 V N 0.804 120.441 119.914 -0.461 0.000 2.255 326 V HA -0.304 3.817 4.120 0.001 0.000 0.247 326 V C 2.374 178.304 176.094 -0.274 0.000 1.051 326 V CA 2.323 64.465 62.300 -0.263 0.000 1.018 326 V CB -1.136 30.656 31.823 -0.051 0.000 0.641 326 V HN 0.570 nan 8.190 nan 0.000 0.445 327 N N 0.086 118.715 118.700 -0.118 0.000 2.094 327 N HA -0.208 4.532 4.740 0.001 0.000 0.191 327 N C 1.809 177.185 175.510 -0.223 0.000 1.023 327 N CA 1.660 54.688 53.050 -0.036 0.000 0.857 327 N CB -0.395 38.211 38.487 0.198 0.000 1.013 327 N HN 0.499 nan 8.380 nan 0.000 0.426 328 K N 0.696 120.941 120.400 -0.259 0.000 2.032 328 K HA -0.143 4.177 4.320 0.001 0.000 0.209 328 K C 1.711 178.202 176.600 -0.182 0.000 1.048 328 K CA 1.482 57.641 56.287 -0.214 0.000 0.927 328 K CB -0.146 32.173 32.500 -0.303 0.000 0.712 328 K HN 0.182 nan 8.250 nan 0.000 0.441 329 D N 0.342 120.578 120.400 -0.273 0.000 2.078 329 D HA -0.184 4.457 4.640 0.001 0.000 0.193 329 D C 2.030 178.206 176.300 -0.207 0.000 0.990 329 D CA 1.323 55.269 54.000 -0.089 0.000 0.827 329 D CB 0.030 40.814 40.800 -0.027 0.000 0.975 329 D HN 0.168 nan 8.370 nan 0.000 0.451 330 L N 0.245 121.199 121.223 -0.449 0.000 2.083 330 L HA -0.019 4.322 4.340 0.001 0.000 0.209 330 L C 1.978 178.554 176.870 -0.490 0.000 1.083 330 L CA 1.355 55.807 54.840 -0.646 0.000 0.752 330 L CB -0.438 40.748 42.059 -1.454 0.000 0.899 330 L HN 0.387 nan 8.230 nan 0.000 0.433 331 G N -1.223 107.316 108.800 -0.434 0.000 2.160 331 G HA2 -0.271 3.690 3.960 0.001 0.000 0.251 331 G HA3 -0.271 3.690 3.960 0.001 0.000 0.251 331 G C -0.093 174.788 174.900 -0.032 0.000 1.008 331 G CA 0.178 45.176 45.100 -0.171 0.000 0.724 331 G HN 0.346 nan 8.290 nan 0.000 0.514 332 W N 0.248 121.566 121.300 0.030 0.000 2.137 332 W HA 0.582 5.242 4.660 0.001 0.000 0.344 332 W C 0.181 176.716 176.519 0.027 0.000 1.286 332 W CA -2.222 55.142 57.345 0.030 0.000 1.240 332 W CB 0.202 29.683 29.460 0.036 0.000 1.141 332 W HN 0.122 nan 8.180 nan 0.000 0.579 333 D N 2.692 123.268 120.400 0.293 0.000 2.472 333 D HA 0.008 4.649 4.640 0.001 0.000 0.248 333 D C -1.313 175.088 176.300 0.168 0.000 1.174 333 D CA -1.497 52.606 54.000 0.172 0.000 0.883 333 D CB 1.111 41.968 40.800 0.095 0.000 1.149 333 D HN 0.067 nan 8.370 nan 0.000 0.488 334 P HA -0.120 nan 4.420 nan 0.000 0.220 334 P C 1.026 178.357 177.300 0.051 0.000 1.148 334 P CA 1.004 64.184 63.100 0.134 0.000 0.803 334 P CB 0.034 31.806 31.700 0.119 0.000 0.782 335 S N -0.665 115.054 115.700 0.033 0.000 2.603 335 S HA -0.040 4.431 4.470 0.001 0.000 0.229 335 S C 1.474 176.062 174.600 -0.020 0.000 0.972 335 S CA 0.424 58.624 58.200 0.000 0.000 0.935 335 S CB -1.317 61.884 63.200 0.002 0.000 0.769 335 S HN 0.364 nan 8.310 nan 0.000 0.536 336 I N -2.113 118.439 120.570 -0.029 0.000 4.081 336 I HA 0.482 4.653 4.170 0.001 0.000 0.333 336 I C -0.731 175.311 176.117 -0.126 0.000 1.413 336 I CA -0.563 60.696 61.300 -0.069 0.000 1.110 336 I CB 0.776 38.735 38.000 -0.069 0.000 1.082 336 I HN -0.051 nan 8.210 nan 0.000 0.402 337 V N 3.086 122.936 119.914 -0.107 0.000 2.347 337 V HA 0.368 4.489 4.120 0.001 0.000 0.280 337 V C -0.098 175.959 176.094 -0.061 0.000 1.021 337 V CA -0.516 61.701 62.300 -0.137 0.000 0.847 337 V CB 0.555 32.325 31.823 -0.088 0.000 0.990 337 V HN 0.551 nan 8.190 nan 0.000 0.444 338 N N 2.850 121.517 118.700 -0.055 0.000 2.725 338 N HA -0.150 4.590 4.740 0.001 0.000 0.251 338 N C 0.916 176.417 175.510 -0.015 0.000 1.031 338 N CA 0.850 53.895 53.050 -0.009 0.000 0.720 338 N CB -1.125 37.374 38.487 0.021 0.000 0.930 338 N HN 0.476 nan 8.380 nan 0.000 0.543 339 V N -0.467 119.433 119.914 -0.023 0.000 2.453 339 V HA -0.228 3.893 4.120 0.001 0.000 0.252 339 V C 1.494 177.573 176.094 -0.025 0.000 1.068 339 V CA 1.858 64.139 62.300 -0.032 0.000 1.070 339 V CB -0.134 31.667 31.823 -0.036 0.000 0.664 339 V HN 0.522 nan 8.190 nan 0.000 0.461 340 N N 0.201 118.913 118.700 0.019 0.000 2.321 340 N HA 0.373 5.114 4.740 0.001 0.000 0.242 340 N C 0.627 176.235 175.510 0.163 0.000 1.141 340 N CA 0.932 54.005 53.050 0.039 0.000 0.864 340 N CB 0.922 39.423 38.487 0.023 0.000 1.100 340 N HN 0.550 nan 8.380 nan 0.000 0.510 341 G N -0.977 107.866 108.800 0.071 0.000 2.712 341 G HA2 0.106 4.067 3.960 0.001 0.000 0.683 341 G HA3 0.106 4.067 3.960 0.001 0.000 0.683 341 G C -0.249 174.693 174.900 0.070 0.000 1.320 341 G CA -0.589 44.544 45.100 0.055 0.000 0.847 341 G HN 0.479 nan 8.290 nan 0.000 0.553 342 G N -2.214 106.620 108.800 0.057 0.000 3.176 342 G HA2 0.825 4.786 3.960 0.001 0.000 0.272 342 G HA3 0.825 4.786 3.960 0.001 0.000 0.272 342 G C 1.133 176.092 174.900 0.098 0.000 1.349 342 G CA 1.004 46.157 45.100 0.088 0.000 0.953 342 G HN 2.033 nan 8.290 nan 0.000 0.559 343 A N -0.766 122.127 122.820 0.120 0.000 2.019 343 A HA 0.035 4.356 4.320 0.001 0.000 0.219 343 A C 2.267 179.944 177.584 0.155 0.000 1.164 343 A CA 1.334 53.450 52.037 0.133 0.000 0.644 343 A CB -0.572 18.534 19.000 0.176 0.000 0.805 343 A HN 0.511 nan 8.150 nan 0.000 0.449 344 I N -0.785 119.871 120.570 0.144 0.000 2.335 344 I HA -0.304 3.867 4.170 0.001 0.000 0.251 344 I C 2.672 178.884 176.117 0.159 0.000 1.129 344 I CA 1.304 62.697 61.300 0.154 0.000 1.402 344 I CB -0.057 38.038 38.000 0.158 0.000 1.069 344 I HN 0.395 nan 8.210 nan 0.000 0.424 345 A N -0.163 122.722 122.820 0.109 0.000 1.963 345 A HA 0.195 4.515 4.320 0.001 0.000 0.207 345 A C 2.114 179.778 177.584 0.133 0.000 1.243 345 A CA 0.207 52.252 52.037 0.014 0.000 0.728 345 A CB -0.296 18.689 19.000 -0.026 0.000 0.895 345 A HN 0.249 nan 8.150 nan 0.000 0.467 346 I N -0.507 120.151 120.570 0.147 0.000 2.500 346 I HA 0.202 4.373 4.170 0.001 0.000 0.252 346 I C 1.274 177.497 176.117 0.177 0.000 1.142 346 I CA 1.089 62.446 61.300 0.094 0.000 1.451 346 I CB -0.136 37.834 38.000 -0.050 0.000 1.093 346 I HN 0.492 nan 8.210 nan 0.000 0.430 347 G N 0.382 109.305 108.800 0.206 0.000 2.570 347 G HA2 -0.159 3.802 3.960 0.001 0.000 0.686 347 G HA3 -0.159 3.802 3.960 0.001 0.000 0.686 347 G C -0.748 174.149 174.900 -0.006 0.000 1.257 347 G CA -0.738 44.327 45.100 -0.058 0.000 0.846 347 G HN 0.346 nan 8.290 nan 0.000 0.627 348 H N 1.290 120.260 119.070 -0.165 0.000 2.538 348 H HA 0.415 4.972 4.556 0.001 0.000 0.239 348 H C -2.667 172.596 175.328 -0.108 0.000 1.401 348 H CA -1.203 54.775 56.048 -0.117 0.000 1.499 348 H CB 1.820 31.506 29.762 -0.128 0.000 1.624 348 H HN 0.359 nan 8.280 nan 0.000 0.524 349 P HA 0.127 nan 4.420 nan 0.000 0.273 349 P C 1.549 178.736 177.300 -0.187 0.000 1.428 349 P CA -0.158 62.867 63.100 -0.126 0.000 0.995 349 P CB 0.411 32.054 31.700 -0.095 0.000 1.286 350 I N 2.286 122.793 120.570 -0.105 0.000 2.094 350 I HA -0.348 3.823 4.170 0.001 0.000 0.236 350 I C 2.451 178.496 176.117 -0.120 0.000 1.016 350 I CA 2.417 63.664 61.300 -0.089 0.000 1.294 350 I CB -1.401 36.615 38.000 0.027 0.000 1.006 350 I HN 0.357 nan 8.210 nan 0.000 0.397 351 G N -0.327 108.430 108.800 -0.073 0.000 2.443 351 G HA2 -0.074 3.887 3.960 0.001 0.000 0.219 351 G HA3 -0.074 3.887 3.960 0.001 0.000 0.219 351 G C 1.696 176.541 174.900 -0.092 0.000 1.131 351 G CA 0.799 45.859 45.100 -0.066 0.000 0.775 351 G HN 0.571 nan 8.290 nan 0.000 0.547 352 A N 0.193 122.945 122.820 -0.113 0.000 2.081 352 A HA 0.254 4.575 4.320 0.001 0.000 0.214 352 A C 2.446 179.947 177.584 -0.138 0.000 1.158 352 A CA 1.521 53.490 52.037 -0.113 0.000 0.724 352 A CB -0.491 18.447 19.000 -0.103 0.000 0.826 352 A HN 0.335 nan 8.150 nan 0.000 0.463 353 S N 0.103 115.673 115.700 -0.217 0.000 2.380 353 S HA -0.172 4.299 4.470 0.001 0.000 0.229 353 S C 1.969 176.479 174.600 -0.150 0.000 1.043 353 S CA 2.144 60.174 58.200 -0.282 0.000 1.038 353 S CB -0.555 62.255 63.200 -0.649 0.000 0.872 353 S HN 0.707 nan 8.310 nan 0.000 0.456 354 G N -0.276 108.462 108.800 -0.103 0.000 2.448 354 G HA2 0.179 4.139 3.960 0.001 0.000 0.218 354 G HA3 0.179 4.139 3.960 0.001 0.000 0.218 354 G C 1.477 176.354 174.900 -0.038 0.000 1.135 354 G CA 0.742 45.815 45.100 -0.046 0.000 0.784 354 G HN 0.676 nan 8.290 nan 0.000 0.543 355 A N 0.076 122.864 122.820 -0.054 0.000 2.081 355 A HA 0.232 4.552 4.320 0.001 0.000 0.214 355 A C 2.298 179.868 177.584 -0.023 0.000 1.158 355 A CA 0.958 52.971 52.037 -0.041 0.000 0.724 355 A CB -0.218 18.750 19.000 -0.055 0.000 0.826 355 A HN 0.196 nan 8.150 nan 0.000 0.463 356 R N 1.018 121.493 120.500 -0.042 0.000 2.062 356 R HA -0.082 4.258 4.340 0.001 0.000 0.229 356 R C 1.974 178.271 176.300 -0.005 0.000 1.128 356 R CA 1.914 57.994 56.100 -0.034 0.000 0.960 356 R CB -0.671 29.584 30.300 -0.075 0.000 0.855 356 R HN 0.719 nan 8.270 nan 0.000 0.432 357 I N -1.597 118.969 120.570 -0.008 0.000 2.676 357 I HA -0.119 4.052 4.170 0.001 0.000 0.259 357 I C 2.115 178.252 176.117 0.034 0.000 1.194 357 I CA 0.950 62.263 61.300 0.020 0.000 1.473 357 I CB -0.253 37.761 38.000 0.022 0.000 1.096 357 I HN 0.067 nan 8.210 nan 0.000 0.443 358 L N 1.325 122.563 121.223 0.024 0.000 2.109 358 L HA -0.130 4.211 4.340 0.001 0.000 0.207 358 L C 2.302 179.198 176.870 0.043 0.000 1.086 358 L CA 1.436 56.289 54.840 0.023 0.000 0.760 358 L CB -0.573 41.488 42.059 0.004 0.000 0.910 358 L HN 0.426 nan 8.230 nan 0.000 0.437 359 N N -0.847 117.902 118.700 0.082 0.000 2.106 359 N HA -0.164 4.576 4.740 0.001 0.000 0.188 359 N C 1.566 177.243 175.510 0.278 0.000 1.029 359 N CA 1.994 55.160 53.050 0.194 0.000 0.848 359 N CB -0.016 38.596 38.487 0.209 0.000 1.007 359 N HN 0.314 nan 8.380 nan 0.000 0.423 360 T N 3.131 117.801 114.554 0.194 0.000 2.684 360 T HA -0.115 4.235 4.350 0.001 0.000 0.267 360 T C 1.932 176.736 174.700 0.174 0.000 1.036 360 T CA 0.569 62.799 62.100 0.216 0.000 1.148 360 T CB -0.299 68.669 68.868 0.167 0.000 0.863 360 T HN 0.157 nan 8.240 nan 0.000 0.436 361 L N 0.880 122.163 121.223 0.100 0.000 1.955 361 L HA -0.082 4.259 4.340 0.001 0.000 0.213 361 L C 2.447 179.337 176.870 0.033 0.000 1.072 361 L CA 1.834 56.704 54.840 0.050 0.000 0.755 361 L CB -0.914 41.159 42.059 0.023 0.000 0.888 361 L HN 0.338 nan 8.230 nan 0.000 0.432 362 L N -0.929 120.289 121.223 -0.008 0.000 2.021 362 L HA -0.325 4.015 4.340 0.001 0.000 0.215 362 L C 2.607 179.385 176.870 -0.153 0.000 1.074 362 L CA 1.746 56.508 54.840 -0.130 0.000 0.760 362 L CB -0.691 41.206 42.059 -0.269 0.000 0.889 362 L HN 0.195 nan 8.230 nan 0.000 0.433 363 F N -0.138 119.828 119.950 0.027 0.000 2.259 363 F HA -0.164 4.364 4.527 0.001 0.000 0.298 363 F C 2.580 178.388 175.800 0.013 0.000 1.088 363 F CA 1.292 59.307 58.000 0.026 0.000 1.358 363 F CB -0.251 38.775 39.000 0.043 0.000 1.040 363 F HN 0.073 nan 8.300 nan 0.000 0.505 364 E N 0.177 120.480 120.200 0.173 0.000 2.152 364 E HA -0.153 4.197 4.350 0.001 0.000 0.192 364 E C 2.107 178.730 176.600 0.037 0.000 0.983 364 E CA 1.142 57.593 56.400 0.085 0.000 0.818 364 E CB -0.270 29.464 29.700 0.057 0.000 0.758 364 E HN 0.336 nan 8.360 nan 0.000 0.467 365 M N -0.051 119.560 119.600 0.018 0.000 2.159 365 M HA -0.142 4.338 4.480 0.001 0.000 0.263 365 M C 2.269 178.564 176.300 -0.009 0.000 1.063 365 M CA 1.592 56.886 55.300 -0.010 0.000 1.110 365 M CB -0.127 32.459 32.600 -0.023 0.000 1.374 365 M HN 0.006 nan 8.290 nan 0.000 0.411 366 K N 1.031 121.430 120.400 -0.001 0.000 2.031 366 K HA -0.156 4.165 4.320 0.001 0.000 0.205 366 K C 2.038 178.652 176.600 0.024 0.000 1.049 366 K CA 1.316 57.606 56.287 0.005 0.000 0.939 366 K CB -0.071 32.431 32.500 0.004 0.000 0.717 366 K HN 0.330 nan 8.250 nan 0.000 0.438 367 R N 0.857 121.384 120.500 0.044 0.000 2.189 367 R HA -0.093 4.248 4.340 0.001 0.000 0.218 367 R C 1.822 178.127 176.300 0.008 0.000 1.074 367 R CA 1.413 57.532 56.100 0.031 0.000 0.991 367 R CB -0.276 30.046 30.300 0.036 0.000 0.883 367 R HN 0.263 nan 8.270 nan 0.000 0.457 368 R N -0.564 119.937 120.500 0.001 0.000 2.334 368 R HA 0.279 4.619 4.340 0.001 0.000 0.212 368 R C 0.799 177.090 176.300 -0.015 0.000 0.897 368 R CA 0.409 56.502 56.100 -0.011 0.000 1.056 368 R CB 0.349 30.638 30.300 -0.017 0.000 1.046 368 R HN 0.239 nan 8.270 nan 0.000 0.513 369 G N 0.797 109.589 108.800 -0.013 0.000 2.137 369 G HA2 -0.304 3.656 3.960 0.001 0.000 0.237 369 G HA3 -0.304 3.656 3.960 0.001 0.000 0.237 369 G C 0.275 175.157 174.900 -0.029 0.000 1.002 369 G CA 0.001 45.090 45.100 -0.018 0.000 0.702 369 G HN 0.684 nan 8.290 nan 0.000 0.515 370 A N -0.698 122.103 122.820 -0.032 0.000 2.511 370 A HA 0.678 4.998 4.320 0.001 0.000 0.242 370 A C 1.305 178.856 177.584 -0.055 0.000 1.069 370 A CA 1.218 53.226 52.037 -0.047 0.000 0.763 370 A CB 0.275 19.248 19.000 -0.046 0.000 1.001 370 A HN 0.515 nan 8.150 nan 0.000 0.498 371 R N 0.715 121.166 120.500 -0.083 0.000 2.087 371 R HA 0.107 4.448 4.340 0.001 0.000 0.216 371 R C 0.006 176.232 176.300 -0.123 0.000 1.114 371 R CA 1.078 57.121 56.100 -0.094 0.000 1.002 371 R CB 0.049 30.278 30.300 -0.118 0.000 0.903 371 R HN 0.705 nan 8.270 nan 0.000 0.445 372 K N 0.062 120.334 120.400 -0.213 0.000 2.292 372 K HA 0.557 4.877 4.320 0.001 0.000 0.257 372 K C -0.657 175.877 176.600 -0.111 0.000 0.940 372 K CA -0.572 55.534 56.287 -0.303 0.000 0.811 372 K CB 2.272 34.234 32.500 -0.896 0.000 1.120 372 K HN 0.155 nan 8.250 nan 0.000 0.428 373 G N 1.785 110.624 108.800 0.065 0.000 2.619 373 G HA2 0.704 4.665 3.960 0.001 0.000 0.296 373 G HA3 0.704 4.665 3.960 0.001 0.000 0.296 373 G C -1.909 173.090 174.900 0.166 0.000 1.334 373 G CA -0.653 44.488 45.100 0.068 0.000 0.934 373 G HN 0.488 nan 8.290 nan 0.000 0.476 374 L N 0.534 121.799 121.223 0.069 0.000 2.431 374 L HA 0.863 5.203 4.340 0.001 0.000 0.266 374 L C -0.316 176.558 176.870 0.007 0.000 0.978 374 L CA -0.791 54.098 54.840 0.082 0.000 0.822 374 L CB 2.071 44.191 42.059 0.101 0.000 1.310 374 L HN 0.830 nan 8.230 nan 0.000 0.409 375 A N 2.597 125.445 122.820 0.047 0.000 2.365 375 A HA 0.861 5.181 4.320 0.001 0.000 0.318 375 A C -0.716 176.913 177.584 0.076 0.000 1.091 375 A CA -0.404 51.655 52.037 0.036 0.000 0.763 375 A CB 1.996 21.019 19.000 0.038 0.000 1.248 375 A HN 0.644 nan 8.150 nan 0.000 0.442 376 T N 0.632 115.236 114.554 0.082 0.000 2.840 376 T HA 0.638 4.989 4.350 0.001 0.000 0.317 376 T C -1.944 172.826 174.700 0.116 0.000 1.401 376 T CA -0.303 61.870 62.100 0.120 0.000 1.028 376 T CB 0.613 69.586 68.868 0.175 0.000 1.317 376 T HN 0.734 nan 8.240 nan 0.000 0.495 377 L N 2.400 123.695 121.223 0.119 0.000 2.465 377 L HA 0.695 5.036 4.340 0.001 0.000 0.257 377 L C 0.319 177.258 176.870 0.116 0.000 0.988 377 L CA -0.933 53.978 54.840 0.119 0.000 0.827 377 L CB 1.585 43.712 42.059 0.113 0.000 1.397 377 L HN 0.990 nan 8.230 nan 0.000 0.410 378 C N 0.055 119.421 119.300 0.111 0.000 2.403 378 C HA 0.871 5.332 4.460 0.001 0.000 0.361 378 C C 0.023 175.075 174.990 0.104 0.000 1.274 378 C CA -0.883 58.194 59.018 0.099 0.000 2.433 378 C CB 0.340 28.133 27.740 0.087 0.000 2.323 378 C HN 0.655 nan 8.230 nan 0.000 0.614 379 I N 1.122 121.750 120.570 0.097 0.000 2.571 379 I HA 0.462 4.632 4.170 0.001 0.000 0.289 379 I C 0.786 176.959 176.117 0.093 0.000 1.115 379 I CA -0.207 61.150 61.300 0.096 0.000 1.045 379 I CB 1.597 39.655 38.000 0.096 0.000 1.238 379 I HN 1.068 nan 8.210 nan 0.000 0.424 380 G N 2.736 111.587 108.800 0.085 0.000 2.491 380 G HA2 0.402 4.362 3.960 0.001 0.000 0.238 380 G HA3 0.402 4.362 3.960 0.001 0.000 0.238 380 G C 0.951 175.921 174.900 0.116 0.000 1.277 380 G CA 0.678 45.828 45.100 0.083 0.000 0.851 380 G HN 1.225 nan 8.290 nan 0.000 0.573 381 G N -0.381 108.519 108.800 0.167 0.000 2.175 381 G HA2 0.250 4.211 3.960 0.001 0.000 0.244 381 G HA3 0.250 4.211 3.960 0.001 0.000 0.244 381 G C 1.168 176.196 174.900 0.213 0.000 0.982 381 G CA 0.833 46.103 45.100 0.283 0.000 0.641 381 G HN 2.745 nan 8.290 nan 0.000 0.527 382 G N -0.766 108.118 108.800 0.141 0.000 2.643 382 G HA2 0.114 4.075 3.960 0.001 0.000 0.280 382 G HA3 0.114 4.075 3.960 0.001 0.000 0.280 382 G C -0.115 174.835 174.900 0.084 0.000 1.120 382 G CA 0.991 46.149 45.100 0.096 0.000 1.165 382 G HN 1.226 nan 8.290 nan 0.000 0.540 383 M N -0.690 118.963 119.600 0.088 0.000 2.716 383 M HA 0.769 5.250 4.480 0.001 0.000 0.278 383 M C 0.417 176.769 176.300 0.087 0.000 1.281 383 M CA -0.316 55.035 55.300 0.085 0.000 0.814 383 M CB 2.452 35.109 32.600 0.095 0.000 1.719 383 M HN 0.776 nan 8.290 nan 0.000 0.457 384 G N -0.008 108.847 108.800 0.091 0.000 2.660 384 G HA2 0.722 4.682 3.960 0.001 0.000 0.294 384 G HA3 0.722 4.682 3.960 0.001 0.000 0.294 384 G C -2.318 172.654 174.900 0.119 0.000 1.369 384 G CA -0.614 44.546 45.100 0.100 0.000 0.912 384 G HN 0.597 nan 8.290 nan 0.000 0.479 385 V N -0.491 119.502 119.914 0.131 0.000 3.049 385 V HA 0.956 5.076 4.120 0.001 0.000 0.309 385 V C -0.728 175.461 176.094 0.158 0.000 1.148 385 V CA 0.093 62.492 62.300 0.165 0.000 0.990 385 V CB 1.826 33.752 31.823 0.172 0.000 1.039 385 V HN 1.988 nan 8.190 nan 0.000 0.430 386 A N 6.057 128.989 122.820 0.186 0.000 2.606 386 A HA 0.950 5.270 4.320 0.001 0.000 0.293 386 A C -1.226 176.472 177.584 0.191 0.000 1.082 386 A CA -0.450 51.686 52.037 0.165 0.000 0.685 386 A CB 2.102 21.194 19.000 0.153 0.000 1.284 386 A HN 1.531 nan 8.150 nan 0.000 0.408 387 M N 0.904 120.595 119.600 0.151 0.000 2.371 387 M HA 0.541 5.022 4.480 0.001 0.000 0.287 387 M C -1.980 174.383 176.300 0.105 0.000 1.149 387 M CA -0.249 55.139 55.300 0.147 0.000 0.929 387 M CB 1.676 34.354 32.600 0.130 0.000 1.683 387 M HN 0.733 nan 8.290 nan 0.000 0.470 388 C N 5.148 124.482 119.300 0.057 0.000 2.319 388 C HA 0.714 5.174 4.460 0.001 0.000 0.335 388 C C -0.259 174.780 174.990 0.082 0.000 1.274 388 C CA -0.723 58.322 59.018 0.044 0.000 1.806 388 C CB 0.273 27.844 27.740 -0.282 0.000 2.329 388 C HN 0.618 nan 8.230 nan 0.000 0.524 389 I N 2.660 123.366 120.570 0.226 0.000 2.569 389 I HA 0.493 4.664 4.170 0.001 0.000 0.296 389 I C -0.155 176.163 176.117 0.336 0.000 1.028 389 I CA -0.235 61.183 61.300 0.198 0.000 1.082 389 I CB 1.766 39.829 38.000 0.106 0.000 1.264 389 I HN 0.720 nan 8.210 nan 0.000 0.429 390 E N 3.157 123.513 120.200 0.261 0.000 2.210 390 E HA 0.380 4.731 4.350 0.001 0.000 0.266 390 E C -0.436 176.225 176.600 0.102 0.000 0.883 390 E CA -0.468 56.073 56.400 0.235 0.000 0.761 390 E CB 1.745 31.638 29.700 0.323 0.000 1.156 390 E HN 0.691 nan 8.360 nan 0.000 0.412 391 S N 4.020 119.749 115.700 0.048 0.000 2.579 391 S HA 0.228 4.698 4.470 0.001 0.000 0.275 391 S C 0.486 175.100 174.600 0.022 0.000 1.345 391 S CA -0.636 57.573 58.200 0.015 0.000 1.031 391 S CB 0.510 63.705 63.200 -0.008 0.000 0.892 391 S HN 0.507 nan 8.310 nan 0.000 0.529 392 L N 0.000 121.230 121.223 0.011 0.000 2.949 392 L HA 0.000 4.341 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.015 0.000 0.813 392 L CB 0.000 42.064 42.059 0.009 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502