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 1odi_1_D DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.505 174.600 -0.158 0.000 1.055 2 S CA 0.000 58.011 58.200 -0.315 0.000 1.107 2 S CB 0.000 62.973 63.200 -0.378 0.000 0.593 3 P HA 0.211 nan 4.420 nan 0.000 0.267 3 P C 0.960 178.240 177.300 -0.034 0.000 1.195 3 P CA -0.201 62.881 63.100 -0.029 0.000 0.773 3 P CB 0.337 32.044 31.700 0.011 0.000 0.837 4 I N 0.682 121.248 120.570 -0.006 0.000 2.493 4 I HA -0.241 3.929 4.170 0.000 0.000 0.254 4 I C 1.279 177.218 176.117 -0.295 0.000 1.160 4 I CA 1.462 62.666 61.300 -0.159 0.000 1.445 4 I CB -0.318 37.560 38.000 -0.204 0.000 1.086 4 I HN 0.510 nan 8.210 nan 0.000 0.433 5 H N -1.135 117.993 119.070 0.097 0.000 2.338 5 H HA 0.216 4.772 4.556 0.000 0.000 0.291 5 H C 0.579 176.033 175.328 0.209 0.000 0.989 5 H CA 0.030 56.192 56.048 0.191 0.000 1.281 5 H CB -0.092 29.736 29.762 0.109 0.000 1.484 5 H HN -0.149 nan 8.280 nan 0.000 0.576 6 V N 3.962 124.032 119.914 0.260 0.000 2.287 6 V HA 0.091 4.211 4.120 0.000 0.000 0.246 6 V C 0.223 176.390 176.094 0.122 0.000 1.165 6 V CA 0.034 62.454 62.300 0.199 0.000 1.088 6 V CB -0.404 31.529 31.823 0.183 0.000 1.242 6 V HN 0.316 nan 8.190 nan 0.000 0.497 7 R N 3.388 123.948 120.500 0.100 0.000 4.113 7 R HA 0.418 4.758 4.340 0.000 0.000 0.179 7 R C 0.419 176.720 176.300 0.002 0.000 1.781 7 R CA 0.105 56.197 56.100 -0.013 0.000 1.402 7 R CB -0.031 30.228 30.300 -0.069 0.000 1.375 7 R HN 0.727 nan 8.270 nan 0.000 0.786 8 A N 1.079 123.872 122.820 -0.044 0.000 2.389 8 A HA 0.629 4.949 4.320 0.000 0.000 0.293 8 A C -0.842 176.584 177.584 -0.263 0.000 1.186 8 A CA -0.720 51.294 52.037 -0.038 0.000 0.828 8 A CB 1.301 20.293 19.000 -0.014 0.000 1.369 8 A HN 0.442 nan 8.150 nan 0.000 0.446 9 H N -0.069 118.968 119.070 -0.056 0.000 2.747 9 H HA 0.423 4.979 4.556 0.000 0.000 0.371 9 H C -2.591 172.688 175.328 -0.083 0.000 1.161 9 H CA -1.512 54.505 56.048 -0.051 0.000 1.167 9 H CB 2.000 31.743 29.762 -0.032 0.000 1.732 9 H HN 0.473 nan 8.280 nan 0.000 0.544 10 P HA -0.023 nan 4.420 nan 0.000 0.261 10 P C 0.776 178.076 177.300 -0.000 0.000 1.183 10 P CA 1.210 64.312 63.100 0.004 0.000 0.761 10 P CB 0.685 32.397 31.700 0.020 0.000 0.785 11 G N 3.606 112.382 108.800 -0.040 0.000 2.391 11 G HA2 -0.183 3.777 3.960 0.000 0.000 0.204 11 G HA3 -0.183 3.777 3.960 0.000 0.000 0.204 11 G C 0.793 175.655 174.900 -0.064 0.000 1.012 11 G CA -0.014 45.066 45.100 -0.033 0.000 0.651 11 G HN 0.451 nan 8.290 nan 0.000 0.494 12 D N 0.396 120.723 120.400 -0.122 0.000 2.234 12 D HA 0.148 4.788 4.640 0.000 0.000 0.205 12 D C 0.985 177.037 176.300 -0.413 0.000 0.962 12 D CA 1.090 54.956 54.000 -0.223 0.000 0.855 12 D CB 0.608 41.232 40.800 -0.292 0.000 0.951 12 D HN 0.342 nan 8.370 nan 0.000 0.500 13 V N 1.184 120.879 119.914 -0.366 0.000 2.435 13 V HA 0.522 4.642 4.120 0.000 0.000 0.290 13 V C 0.428 176.464 176.094 -0.097 0.000 1.030 13 V CA -1.003 61.121 62.300 -0.293 0.000 0.881 13 V CB 1.550 33.199 31.823 -0.290 0.000 0.983 13 V HN 0.029 nan 8.190 nan 0.000 0.445 14 A N 3.225 126.031 122.820 -0.023 0.000 2.296 14 A HA 0.423 4.743 4.320 0.000 0.000 0.264 14 A C 1.007 178.600 177.584 0.015 0.000 1.097 14 A CA -0.197 51.847 52.037 0.013 0.000 0.811 14 A CB 0.224 19.253 19.000 0.048 0.000 1.072 14 A HN 0.919 nan 8.150 nan 0.000 0.495 15 E N -0.235 119.978 120.200 0.022 0.000 2.208 15 E HA -0.087 4.263 4.350 0.000 0.000 0.193 15 E C 0.071 176.691 176.600 0.035 0.000 0.988 15 E CA 0.721 57.136 56.400 0.024 0.000 0.828 15 E CB 0.030 29.745 29.700 0.024 0.000 0.763 15 E HN 0.482 nan 8.360 nan 0.000 0.478 16 R N 1.113 121.639 120.500 0.044 0.000 2.255 16 R HA 0.358 4.698 4.340 0.000 0.000 0.326 16 R C -1.039 175.294 176.300 0.055 0.000 0.986 16 R CA -0.322 55.807 56.100 0.049 0.000 0.847 16 R CB 1.692 32.025 30.300 0.054 0.000 1.111 16 R HN -0.140 nan 8.270 nan 0.000 0.452 17 V N 4.639 124.584 119.914 0.053 0.000 2.709 17 V HA 0.429 4.549 4.120 0.000 0.000 0.308 17 V C -0.226 175.897 176.094 0.050 0.000 1.062 17 V CA -0.953 61.386 62.300 0.065 0.000 0.901 17 V CB 2.250 34.119 31.823 0.077 0.000 1.003 17 V HN 0.593 nan 8.190 nan 0.000 0.425 18 L N 4.604 125.854 121.223 0.046 0.000 2.322 18 L HA 0.600 4.940 4.340 0.000 0.000 0.279 18 L C -0.769 176.131 176.870 0.049 0.000 1.036 18 L CA -0.591 54.263 54.840 0.023 0.000 0.807 18 L CB 1.732 43.779 42.059 -0.020 0.000 1.226 18 L HN 0.475 nan 8.230 nan 0.000 0.433 19 L N 5.274 126.520 121.223 0.038 0.000 2.387 19 L HA 0.394 4.734 4.340 0.000 0.000 0.259 19 L C -2.299 174.588 176.870 0.028 0.000 1.050 19 L CA -1.583 53.281 54.840 0.040 0.000 0.922 19 L CB 1.113 43.189 42.059 0.028 0.000 1.280 19 L HN 0.310 nan 8.230 nan 0.000 0.449 20 P HA 0.179 nan 4.420 nan 0.000 0.284 20 P C 0.456 177.765 177.300 0.016 0.000 1.258 20 P CA -0.296 62.824 63.100 0.034 0.000 0.824 20 P CB 2.306 34.045 31.700 0.066 0.000 1.038 21 G N 1.322 110.118 108.800 -0.006 0.000 2.395 21 G HA2 -0.089 3.871 3.960 0.000 0.000 0.214 21 G HA3 -0.089 3.871 3.960 0.000 0.000 0.214 21 G C 0.365 175.239 174.900 -0.043 0.000 1.177 21 G CA 0.428 45.511 45.100 -0.029 0.000 0.794 21 G HN 0.517 nan 8.290 nan 0.000 0.532 22 D N 0.789 121.165 120.400 -0.040 0.000 2.348 22 D HA 0.185 4.825 4.640 0.000 0.000 0.253 22 D C -1.029 175.243 176.300 -0.047 0.000 1.161 22 D CA -2.332 51.629 54.000 -0.065 0.000 0.876 22 D CB 2.058 42.822 40.800 -0.059 0.000 1.160 22 D HN 0.043 nan 8.370 nan 0.000 0.459 23 P HA -0.035 nan 4.420 nan 0.000 0.223 23 P C 1.194 178.504 177.300 0.017 0.000 1.151 23 P CA 0.628 63.637 63.100 -0.150 0.000 0.787 23 P CB 0.269 31.597 31.700 -0.619 0.000 0.788 24 G N 0.441 109.215 108.800 -0.044 0.000 2.448 24 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 24 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 24 G C 1.876 176.886 174.900 0.183 0.000 1.135 24 G CA 0.380 45.543 45.100 0.105 0.000 0.784 24 G HN 0.243 nan 8.290 nan 0.000 0.543 25 R N 0.614 121.192 120.500 0.130 0.000 2.115 25 R HA 0.235 4.575 4.340 0.000 0.000 0.226 25 R C 2.692 179.152 176.300 0.267 0.000 1.100 25 R CA 1.480 57.695 56.100 0.191 0.000 0.980 25 R CB -0.414 29.944 30.300 0.097 0.000 0.875 25 R HN 0.189 nan 8.270 nan 0.000 0.445 26 A N 0.726 123.683 122.820 0.229 0.000 1.877 26 A HA -0.218 4.102 4.320 0.000 0.000 0.216 26 A C 2.088 179.754 177.584 0.136 0.000 1.186 26 A CA 1.723 53.912 52.037 0.253 0.000 0.620 26 A CB -0.667 18.556 19.000 0.371 0.000 0.822 26 A HN 0.603 nan 8.150 nan 0.000 0.443 27 E N -1.582 118.741 120.200 0.204 0.000 2.077 27 E HA -0.252 4.098 4.350 0.000 0.000 0.193 27 E C 1.795 178.338 176.600 -0.094 0.000 0.989 27 E CA 1.399 57.722 56.400 -0.129 0.000 0.800 27 E CB -0.327 29.532 29.700 0.264 0.000 0.746 27 E HN 0.747 nan 8.360 nan 0.000 0.452 28 W N 1.217 122.495 121.300 -0.036 0.000 2.338 28 W HA -0.162 4.498 4.660 0.000 0.000 0.304 28 W C 1.729 178.264 176.519 0.027 0.000 1.212 28 W CA 1.762 59.105 57.345 -0.002 0.000 1.264 28 W CB -0.218 29.264 29.460 0.036 0.000 1.142 28 W HN 0.086 nan 8.180 nan 0.000 0.512 29 I N 0.446 120.975 120.570 -0.069 0.000 2.353 29 I HA -0.233 3.937 4.170 0.000 0.000 0.248 29 I C 2.585 178.598 176.117 -0.173 0.000 1.119 29 I CA 1.203 62.384 61.300 -0.198 0.000 1.417 29 I CB -1.033 36.932 38.000 -0.058 0.000 1.078 29 I HN 0.076 nan 8.210 nan 0.000 0.421 30 A N 1.168 123.842 122.820 -0.243 0.000 1.855 30 A HA -0.190 4.130 4.320 0.000 0.000 0.215 30 A C 2.295 179.755 177.584 -0.207 0.000 1.191 30 A CA 1.521 53.409 52.037 -0.248 0.000 0.613 30 A CB -0.409 18.250 19.000 -0.568 0.000 0.829 30 A HN 0.290 nan 8.150 nan 0.000 0.442 31 K N -0.851 119.388 120.400 -0.269 0.000 2.288 31 K HA -0.037 4.283 4.320 0.000 0.000 0.201 31 K C 1.822 178.279 176.600 -0.238 0.000 1.048 31 K CA 1.520 57.684 56.287 -0.204 0.000 0.956 31 K CB -0.152 32.246 32.500 -0.171 0.000 0.746 31 K HN 0.480 nan 8.250 nan 0.000 0.461 32 T N -0.058 114.276 114.554 -0.366 0.000 2.939 32 T HA 0.035 4.385 4.350 0.000 0.000 0.254 32 T C 1.109 175.501 174.700 -0.512 0.000 1.041 32 T CA 0.887 62.666 62.100 -0.536 0.000 1.142 32 T CB -0.002 68.260 68.868 -1.010 0.000 0.874 32 T HN 0.071 nan 8.240 nan 0.000 0.452 33 F N 0.332 120.116 119.950 -0.277 0.000 2.727 33 F HA 0.469 4.996 4.527 0.000 0.000 0.302 33 F C 0.479 176.297 175.800 0.030 0.000 1.107 33 F CA -0.409 57.529 58.000 -0.103 0.000 1.277 33 F CB 0.149 39.035 39.000 -0.191 0.000 1.079 33 F HN -0.045 nan 8.300 nan 0.000 0.594 34 L N 1.413 122.714 121.223 0.130 0.000 2.325 34 L HA 0.412 4.752 4.340 0.000 0.000 0.279 34 L C -0.316 176.591 176.870 0.061 0.000 1.054 34 L CA -0.912 53.999 54.840 0.119 0.000 0.804 34 L CB 0.917 43.025 42.059 0.081 0.000 1.200 34 L HN -0.136 nan 8.230 nan 0.000 0.436 35 Q N 2.312 122.155 119.800 0.072 0.000 2.290 35 Q HA 0.267 4.607 4.340 0.000 0.000 0.259 35 Q C -0.358 175.667 176.000 0.041 0.000 0.941 35 Q CA -0.291 55.535 55.803 0.038 0.000 0.912 35 Q CB 1.239 29.995 28.738 0.031 0.000 1.244 35 Q HN 0.621 nan 8.270 nan 0.000 0.441 36 N N 0.848 119.565 118.700 0.028 0.000 2.780 36 N HA -0.141 4.599 4.740 0.000 0.000 0.247 36 N C -2.524 173.019 175.510 0.054 0.000 1.076 36 N CA -0.322 52.748 53.050 0.034 0.000 0.688 36 N CB -0.934 37.575 38.487 0.036 0.000 0.957 36 N HN 0.330 nan 8.380 nan 0.000 0.551 37 P HA 0.003 nan 4.420 nan 0.000 0.265 37 P C -0.348 177.020 177.300 0.114 0.000 1.193 37 P CA 0.589 63.737 63.100 0.081 0.000 0.765 37 P CB 0.618 32.329 31.700 0.019 0.000 0.823 38 R N 2.547 123.149 120.500 0.170 0.000 2.538 38 R HA 0.402 4.742 4.340 0.000 0.000 0.292 38 R C -0.722 175.660 176.300 0.136 0.000 1.008 38 R CA -0.909 55.277 56.100 0.142 0.000 0.896 38 R CB 1.256 31.628 30.300 0.120 0.000 1.187 38 R HN 0.315 nan 8.270 nan 0.000 0.440 39 R N 3.828 124.331 120.500 0.004 0.000 2.216 39 R HA 0.103 4.443 4.340 0.000 0.000 0.332 39 R C -0.121 176.044 176.300 -0.226 0.000 1.056 39 R CA -0.166 55.721 56.100 -0.356 0.000 0.901 39 R CB 0.429 30.435 30.300 -0.490 0.000 1.039 39 R HN 0.740 nan 8.270 nan 0.000 0.456 40 Y N 1.609 121.817 120.300 -0.154 0.000 2.449 40 Y HA 0.405 4.955 4.550 0.000 0.000 0.254 40 Y C -0.461 175.399 175.900 -0.066 0.000 1.140 40 Y CA -0.980 57.077 58.100 -0.071 0.000 1.272 40 Y CB 0.248 38.694 38.460 -0.023 0.000 1.114 40 Y HN 0.499 nan 8.280 nan 0.000 0.525 41 N N 0.386 118.910 118.700 -0.293 0.000 2.446 41 N HA 0.219 4.959 4.740 0.000 0.000 0.272 41 N C -1.304 174.117 175.510 -0.148 0.000 1.127 41 N CA -0.054 52.940 53.050 -0.093 0.000 0.896 41 N CB 1.480 40.020 38.487 0.089 0.000 1.658 41 N HN 0.187 nan 8.380 nan 0.000 0.483 42 D N -0.124 120.290 120.400 0.023 0.000 2.497 42 D HA 0.031 4.671 4.640 0.000 0.000 0.256 42 D C -0.290 176.159 176.300 0.248 0.000 1.273 42 D CA -0.115 53.984 54.000 0.165 0.000 0.812 42 D CB -0.726 40.061 40.800 -0.022 0.000 1.190 42 D HN 0.611 nan 8.370 nan 0.000 0.524 43 H N 2.411 121.539 119.070 0.096 0.000 2.928 43 H HA 0.120 4.676 4.556 0.000 0.000 0.338 43 H C 0.338 175.722 175.328 0.093 0.000 1.047 43 H CA 0.757 56.853 56.048 0.081 0.000 1.435 43 H CB 0.450 30.242 29.762 0.051 0.000 1.428 43 H HN 0.013 nan 8.280 nan 0.000 0.590 44 R N 2.522 122.760 120.500 -0.436 0.000 3.863 44 R HA -0.210 4.130 4.340 0.000 0.000 0.313 44 R C 1.057 177.282 176.300 -0.126 0.000 1.202 44 R CA 0.730 56.637 56.100 -0.322 0.000 0.852 44 R CB -1.907 28.187 30.300 -0.344 0.000 1.292 44 R HN 1.101 nan 8.270 nan 0.000 0.519 45 G N 0.091 108.869 108.800 -0.036 0.000 2.175 45 G HA2 -0.328 3.632 3.960 0.000 0.000 0.265 45 G HA3 -0.328 3.632 3.960 0.000 0.000 0.265 45 G C 0.277 175.070 174.900 -0.179 0.000 0.979 45 G CA 0.542 45.569 45.100 -0.122 0.000 0.663 45 G HN 0.344 nan 8.290 nan 0.000 0.533 46 L N 0.573 121.800 121.223 0.006 0.000 2.533 46 L HA 0.240 4.580 4.340 0.000 0.000 0.239 46 L C 0.561 177.516 176.870 0.143 0.000 1.376 46 L CA -1.054 53.807 54.840 0.035 0.000 1.240 46 L CB -0.436 41.657 42.059 0.057 0.000 1.487 46 L HN 0.123 nan 8.230 nan 0.000 0.419 47 W N 1.660 122.903 121.300 -0.095 0.000 2.385 47 W HA 0.244 4.904 4.660 0.000 0.000 0.336 47 W C 0.920 177.231 176.519 -0.346 0.000 1.351 47 W CA -0.589 56.618 57.345 -0.230 0.000 1.295 47 W CB 0.007 29.422 29.460 -0.075 0.000 1.239 47 W HN 0.252 nan 8.180 nan 0.000 0.565 48 G N 3.362 111.820 108.800 -0.570 0.000 2.643 48 G HA2 0.670 4.631 3.960 0.000 0.000 0.305 48 G HA3 0.670 4.631 3.960 0.000 0.000 0.305 48 G C -2.139 171.956 174.900 -1.341 0.000 1.387 48 G CA -0.607 44.006 45.100 -0.812 0.000 0.982 48 G HN 0.276 nan 8.290 nan 0.000 0.501 49 Y N 0.006 120.096 120.300 -0.350 0.000 2.570 49 Y HA 0.781 5.332 4.550 0.000 0.000 0.345 49 Y C 0.463 176.479 175.900 0.194 0.000 1.014 49 Y CA -0.791 57.240 58.100 -0.114 0.000 1.063 49 Y CB 2.997 41.435 38.460 -0.037 0.000 1.272 49 Y HN 0.482 nan 8.280 nan 0.000 0.477 50 T N 0.616 115.396 114.554 0.376 0.000 2.993 50 T HA 0.727 5.077 4.350 0.000 0.000 0.312 50 T C -0.341 174.478 174.700 0.198 0.000 1.115 50 T CA -0.686 61.593 62.100 0.298 0.000 1.027 50 T CB 1.798 70.845 68.868 0.298 0.000 1.116 50 T HN 1.055 nan 8.240 nan 0.000 0.464 51 G N 1.297 110.189 108.800 0.154 0.000 2.578 51 G HA2 0.655 4.615 3.960 0.000 0.000 0.302 51 G HA3 0.655 4.615 3.960 0.000 0.000 0.302 51 G C -2.148 172.821 174.900 0.114 0.000 1.243 51 G CA -0.781 44.390 45.100 0.119 0.000 0.843 51 G HN 0.704 nan 8.290 nan 0.000 0.486 52 L N 0.108 121.397 121.223 0.109 0.000 2.346 52 L HA 0.589 4.929 4.340 0.000 0.000 0.274 52 L C -1.419 175.561 176.870 0.183 0.000 1.007 52 L CA -0.991 53.919 54.840 0.117 0.000 0.818 52 L CB 2.247 44.348 42.059 0.070 0.000 1.284 52 L HN 0.572 nan 8.230 nan 0.000 0.424 53 Y N 3.025 123.350 120.300 0.043 0.000 2.338 53 Y HA 0.275 4.825 4.550 0.000 0.000 0.328 53 Y C 0.078 176.002 175.900 0.040 0.000 0.965 53 Y CA -1.394 56.737 58.100 0.051 0.000 1.208 53 Y CB 0.925 39.417 38.460 0.054 0.000 1.132 53 Y HN 0.564 nan 8.280 nan 0.000 0.469 54 K N 4.782 124.951 120.400 -0.384 0.000 3.077 54 K HA -0.236 4.084 4.320 0.000 0.000 0.264 54 K C 0.892 177.411 176.600 -0.134 0.000 1.008 54 K CA 1.007 57.096 56.287 -0.329 0.000 0.740 54 K CB -1.586 30.617 32.500 -0.496 0.000 1.273 54 K HN 1.341 nan 8.250 nan 0.000 0.477 55 G N -1.572 107.192 108.800 -0.060 0.000 2.184 55 G HA2 -0.316 3.644 3.960 0.000 0.000 0.264 55 G HA3 -0.316 3.644 3.960 0.000 0.000 0.264 55 G C 0.123 175.030 174.900 0.011 0.000 0.975 55 G CA 0.228 45.317 45.100 -0.018 0.000 0.642 55 G HN 0.280 nan 8.290 nan 0.000 0.536 56 V N 2.272 122.207 119.914 0.036 0.000 2.513 56 V HA 0.590 4.710 4.120 0.000 0.000 0.299 56 V C -1.767 174.382 176.094 0.092 0.000 1.035 56 V CA -1.814 60.524 62.300 0.063 0.000 0.889 56 V CB 2.155 34.024 31.823 0.077 0.000 0.988 56 V HN 0.155 nan 8.190 nan 0.000 0.440 57 P HA 0.262 nan 4.420 nan 0.000 0.271 57 P C -1.034 176.322 177.300 0.093 0.000 1.220 57 P CA 0.095 63.244 63.100 0.081 0.000 0.768 57 P CB 1.375 33.110 31.700 0.058 0.000 0.848 58 V N 2.867 122.847 119.914 0.109 0.000 2.888 58 V HA 0.333 4.453 4.120 0.000 0.000 0.309 58 V C 0.021 176.189 176.094 0.123 0.000 1.114 58 V CA -0.473 61.888 62.300 0.102 0.000 0.940 58 V CB 2.354 34.232 31.823 0.093 0.000 1.021 58 V HN 0.484 nan 8.190 nan 0.000 0.426 59 S N 2.152 117.929 115.700 0.127 0.000 2.537 59 S HA 0.756 5.226 4.470 0.000 0.000 0.301 59 S C -0.619 174.087 174.600 0.176 0.000 1.092 59 S CA -0.607 57.715 58.200 0.202 0.000 1.048 59 S CB 1.956 65.290 63.200 0.223 0.000 1.053 59 S HN 0.492 nan 8.310 nan 0.000 0.501 60 V N 3.265 123.317 119.914 0.230 0.000 2.357 60 V HA 0.410 4.530 4.120 0.000 0.000 0.281 60 V C -0.548 175.686 176.094 0.233 0.000 1.015 60 V CA -0.577 61.839 62.300 0.193 0.000 0.827 60 V CB 1.060 32.994 31.823 0.184 0.000 1.018 60 V HN 0.783 nan 8.190 nan 0.000 0.432 61 Q N 3.043 122.954 119.800 0.186 0.000 2.322 61 Q HA 0.523 4.863 4.340 0.000 0.000 0.265 61 Q C -0.107 175.966 176.000 0.122 0.000 0.985 61 Q CA -0.093 55.808 55.803 0.164 0.000 0.849 61 Q CB 1.800 30.660 28.738 0.203 0.000 1.274 61 Q HN 0.723 nan 8.270 nan 0.000 0.449 62 T N 2.762 117.382 114.554 0.111 0.000 2.918 62 T HA 0.224 4.574 4.350 0.000 0.000 0.302 62 T C 0.948 175.670 174.700 0.037 0.000 1.045 62 T CA 0.446 62.588 62.100 0.069 0.000 1.114 62 T CB 0.852 69.747 68.868 0.046 0.000 0.965 62 T HN 0.811 nan 8.240 nan 0.000 0.540 63 T N -1.006 113.553 114.554 0.008 0.000 2.969 63 T HA 0.513 4.863 4.350 0.000 0.000 0.250 63 T C 1.090 175.771 174.700 -0.032 0.000 1.021 63 T CA 0.287 62.383 62.100 -0.007 0.000 1.003 63 T CB -0.126 68.733 68.868 -0.014 0.000 1.040 63 T HN 1.214 nan 8.240 nan 0.000 0.492 64 G N 1.724 110.496 108.800 -0.047 0.000 2.757 64 G HA2 -0.079 3.881 3.960 0.000 0.000 0.638 64 G HA3 -0.079 3.881 3.960 0.000 0.000 0.638 64 G C -0.630 174.233 174.900 -0.062 0.000 1.344 64 G CA -0.521 44.538 45.100 -0.068 0.000 0.855 64 G HN 0.556 nan 8.290 nan 0.000 0.537 65 M N 1.020 120.579 119.600 -0.068 0.000 2.233 65 M HA 0.556 5.036 4.480 0.000 0.000 0.355 65 M C 0.783 177.057 176.300 -0.044 0.000 1.191 65 M CA 0.868 56.132 55.300 -0.060 0.000 1.101 65 M CB 1.200 33.752 32.600 -0.079 0.000 1.592 65 M HN 2.523 nan 8.290 nan 0.000 0.461 66 G N 1.086 109.866 108.800 -0.033 0.000 2.675 66 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 66 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 66 G C 0.276 175.159 174.900 -0.029 0.000 1.215 66 G CA -0.295 44.791 45.100 -0.023 0.000 0.777 66 G HN 0.877 nan 8.290 nan 0.000 0.638 67 T N -1.332 113.208 114.554 -0.023 0.000 2.962 67 T HA 0.043 4.393 4.350 0.000 0.000 0.270 67 T C 0.025 174.724 174.700 -0.001 0.000 1.088 67 T CA 1.950 64.038 62.100 -0.020 0.000 1.127 67 T CB -0.491 68.369 68.868 -0.013 0.000 0.883 67 T HN 0.389 nan 8.240 nan 0.000 0.493 68 P HA -0.022 nan 4.420 nan 0.000 0.215 68 P C 2.119 179.398 177.300 -0.035 0.000 1.157 68 P CA 1.006 64.100 63.100 -0.011 0.000 0.859 68 P CB -0.216 31.472 31.700 -0.019 0.000 0.786 69 S N -0.917 114.756 115.700 -0.045 0.000 2.355 69 S HA -0.147 4.323 4.470 0.000 0.000 0.222 69 S C 1.988 176.553 174.600 -0.058 0.000 1.031 69 S CA 1.396 59.557 58.200 -0.065 0.000 0.993 69 S CB -1.110 62.056 63.200 -0.057 0.000 0.859 69 S HN 0.027 nan 8.310 nan 0.000 0.453 70 A N 1.400 124.196 122.820 -0.041 0.000 1.908 70 A HA 0.119 4.439 4.320 0.000 0.000 0.218 70 A C 2.436 180.004 177.584 -0.027 0.000 1.181 70 A CA 1.956 53.971 52.037 -0.036 0.000 0.627 70 A CB -1.369 17.603 19.000 -0.047 0.000 0.818 70 A HN 0.740 nan 8.150 nan 0.000 0.445 71 A N -0.258 122.557 122.820 -0.009 0.000 1.933 71 A HA -0.090 4.230 4.320 0.000 0.000 0.218 71 A C 2.121 179.718 177.584 0.021 0.000 1.175 71 A CA 1.527 53.581 52.037 0.027 0.000 0.628 71 A CB -0.569 18.517 19.000 0.142 0.000 0.814 71 A HN 0.519 nan 8.150 nan 0.000 0.444 72 I N -0.620 119.931 120.570 -0.032 0.000 2.163 72 I HA -0.214 3.956 4.170 0.000 0.000 0.240 72 I C 2.385 178.473 176.117 -0.049 0.000 1.081 72 I CA 1.272 62.515 61.300 -0.095 0.000 1.353 72 I CB -0.356 37.468 38.000 -0.294 0.000 1.054 72 I HN 0.163 nan 8.210 nan 0.000 0.407 73 V N 0.464 120.356 119.914 -0.037 0.000 2.287 73 V HA -0.266 3.854 4.120 0.000 0.000 0.248 73 V C 2.418 178.527 176.094 0.026 0.000 1.053 73 V CA 1.695 64.003 62.300 0.013 0.000 1.027 73 V CB -0.572 31.262 31.823 0.018 0.000 0.646 73 V HN 0.248 nan 8.190 nan 0.000 0.447 74 V N -0.379 119.541 119.914 0.010 0.000 2.295 74 V HA -0.219 3.902 4.120 0.000 0.000 0.246 74 V C 2.577 178.678 176.094 0.012 0.000 1.049 74 V CA 1.896 64.201 62.300 0.009 0.000 1.024 74 V CB -0.658 31.157 31.823 -0.013 0.000 0.648 74 V HN 0.555 nan 8.190 nan 0.000 0.447 75 E N 0.044 120.253 120.200 0.014 0.000 2.160 75 E HA -0.233 4.117 4.350 0.000 0.000 0.195 75 E C 2.177 178.797 176.600 0.034 0.000 0.991 75 E CA 1.416 57.833 56.400 0.027 0.000 0.810 75 E CB -0.094 29.640 29.700 0.057 0.000 0.742 75 E HN 0.729 nan 8.360 nan 0.000 0.466 76 E N 0.243 120.467 120.200 0.040 0.000 2.122 76 E HA -0.002 4.348 4.350 0.000 0.000 0.190 76 E C 2.327 178.945 176.600 0.031 0.000 0.977 76 E CA 0.102 56.529 56.400 0.045 0.000 0.820 76 E CB 0.015 29.759 29.700 0.073 0.000 0.770 76 E HN 0.176 nan 8.360 nan 0.000 0.462 77 L N 0.945 122.190 121.223 0.035 0.000 2.131 77 L HA -0.155 4.185 4.340 0.000 0.000 0.210 77 L C 2.373 179.252 176.870 0.014 0.000 1.092 77 L CA 0.610 55.468 54.840 0.028 0.000 0.759 77 L CB -0.156 41.931 42.059 0.046 0.000 0.903 77 L HN 0.041 nan 8.230 nan 0.000 0.435 78 V N -0.686 119.238 119.914 0.016 0.000 2.453 78 V HA -0.200 3.920 4.120 0.000 0.000 0.247 78 V C 2.629 178.728 176.094 0.008 0.000 1.048 78 V CA 1.341 63.648 62.300 0.012 0.000 1.049 78 V CB -0.559 31.270 31.823 0.011 0.000 0.672 78 V HN 0.400 nan 8.190 nan 0.000 0.457 79 R N 0.019 120.525 120.500 0.010 0.000 2.081 79 R HA -0.028 4.312 4.340 0.000 0.000 0.235 79 R C 2.058 178.356 176.300 -0.004 0.000 1.131 79 R CA 1.222 57.326 56.100 0.007 0.000 0.960 79 R CB -0.719 29.587 30.300 0.011 0.000 0.856 79 R HN 0.438 nan 8.270 nan 0.000 0.436 80 L N -0.145 121.069 121.223 -0.015 0.000 2.622 80 L HA 0.065 4.405 4.340 0.000 0.000 0.233 80 L C 0.919 177.771 176.870 -0.030 0.000 1.156 80 L CA 0.684 55.502 54.840 -0.036 0.000 0.866 80 L CB -0.233 41.783 42.059 -0.071 0.000 0.980 80 L HN 0.410 nan 8.230 nan 0.000 0.448 81 G N 0.119 108.912 108.800 -0.013 0.000 2.164 81 G HA2 -0.168 3.792 3.960 0.000 0.000 0.212 81 G HA3 -0.168 3.792 3.960 0.000 0.000 0.212 81 G C 0.206 175.105 174.900 -0.002 0.000 1.031 81 G CA -0.152 44.944 45.100 -0.006 0.000 0.730 81 G HN 0.454 nan 8.290 nan 0.000 0.501 82 A N -0.408 122.414 122.820 0.002 0.000 2.401 82 A HA 0.791 5.111 4.320 0.000 0.000 0.259 82 A C 1.138 178.734 177.584 0.019 0.000 1.103 82 A CA 0.836 52.881 52.037 0.013 0.000 0.789 82 A CB 0.615 19.628 19.000 0.022 0.000 1.035 82 A HN 0.640 nan 8.150 nan 0.000 0.491 83 R N 1.430 121.944 120.500 0.023 0.000 2.225 83 R HA 0.289 4.629 4.340 0.000 0.000 0.194 83 R C -0.766 175.553 176.300 0.032 0.000 0.949 83 R CA 0.615 56.730 56.100 0.025 0.000 1.088 83 R CB 0.529 30.843 30.300 0.023 0.000 1.106 83 R HN 0.517 nan 8.270 nan 0.000 0.566 84 V N 2.838 122.775 119.914 0.037 0.000 2.407 84 V HA 0.403 4.523 4.120 0.000 0.000 0.291 84 V C -1.381 174.743 176.094 0.050 0.000 1.018 84 V CA -0.831 61.496 62.300 0.045 0.000 0.842 84 V CB 1.653 33.502 31.823 0.044 0.000 0.996 84 V HN 0.054 nan 8.190 nan 0.000 0.426 85 L N 6.000 127.259 121.223 0.060 0.000 2.372 85 L HA 0.647 4.987 4.340 0.000 0.000 0.274 85 L C -0.353 176.564 176.870 0.078 0.000 0.988 85 L CA -0.331 54.546 54.840 0.062 0.000 0.833 85 L CB 1.921 44.015 42.059 0.058 0.000 1.236 85 L HN 0.369 nan 8.230 nan 0.000 0.410 86 V N 3.230 123.183 119.914 0.065 0.000 2.350 86 V HA 0.457 4.577 4.120 0.000 0.000 0.285 86 V C 0.318 176.443 176.094 0.052 0.000 1.014 86 V CA -0.738 61.606 62.300 0.073 0.000 0.831 86 V CB 1.612 33.468 31.823 0.055 0.000 1.000 86 V HN 0.742 nan 8.190 nan 0.000 0.433 87 R N 4.217 124.751 120.500 0.057 0.000 2.537 87 R HA 0.426 4.766 4.340 0.000 0.000 0.280 87 R C -0.555 175.756 176.300 0.019 0.000 1.058 87 R CA -0.137 55.975 56.100 0.020 0.000 1.057 87 R CB 0.970 31.258 30.300 -0.020 0.000 0.973 87 R HN 0.607 nan 8.270 nan 0.000 0.438 88 V N 2.304 122.222 119.914 0.007 0.000 2.320 88 V HA 0.673 4.793 4.120 0.000 0.000 0.268 88 V C 0.120 176.215 176.094 0.002 0.000 1.021 88 V CA -0.329 61.972 62.300 0.003 0.000 0.813 88 V CB 0.839 32.657 31.823 -0.008 0.000 1.054 88 V HN 0.880 nan 8.190 nan 0.000 0.444 89 G N 2.819 111.617 108.800 -0.005 0.000 3.251 89 G HA2 0.859 4.819 3.960 0.000 0.000 0.248 89 G HA3 0.859 4.819 3.960 0.000 0.000 0.248 89 G C -0.263 174.630 174.900 -0.011 0.000 1.320 89 G CA -0.016 45.078 45.100 -0.011 0.000 0.982 89 G HN 0.885 nan 8.290 nan 0.000 0.575 90 T N -3.329 111.219 114.554 -0.011 0.000 2.905 90 T HA 0.842 5.192 4.350 0.000 0.000 0.283 90 T C -0.265 174.440 174.700 0.009 0.000 1.031 90 T CA -0.066 62.031 62.100 -0.004 0.000 1.002 90 T CB 1.815 70.678 68.868 -0.008 0.000 1.200 90 T HN 1.958 nan 8.240 nan 0.000 0.560 91 A N -0.608 122.224 122.820 0.020 0.000 2.608 91 A HA 0.802 5.122 4.320 0.000 0.000 0.292 91 A C -0.323 177.289 177.584 0.046 0.000 1.066 91 A CA -0.596 51.461 52.037 0.034 0.000 0.676 91 A CB 0.948 19.958 19.000 0.016 0.000 1.277 91 A HN 1.440 nan 8.150 nan 0.000 0.413 92 G N 0.437 109.276 108.800 0.065 0.000 2.335 92 G HA2 0.691 4.651 3.960 0.000 0.000 0.314 92 G HA3 0.691 4.651 3.960 0.000 0.000 0.314 92 G C 0.247 175.201 174.900 0.090 0.000 1.129 92 G CA 0.338 45.466 45.100 0.046 0.000 0.912 92 G HN 1.752 nan 8.290 nan 0.000 0.443 93 A N 1.795 124.651 122.820 0.060 0.000 2.511 93 A HA 0.528 4.848 4.320 0.000 0.000 0.242 93 A C 1.490 179.144 177.584 0.117 0.000 1.069 93 A CA 0.592 52.674 52.037 0.074 0.000 0.763 93 A CB 0.632 19.657 19.000 0.042 0.000 1.001 93 A HN 1.519 nan 8.150 nan 0.000 0.498 94 A N 2.374 125.297 122.820 0.171 0.000 1.973 94 A HA 0.331 4.651 4.320 0.000 0.000 0.210 94 A C 1.521 179.189 177.584 0.139 0.000 1.200 94 A CA 1.212 53.397 52.037 0.247 0.000 0.707 94 A CB -0.356 18.876 19.000 0.386 0.000 0.862 94 A HN 0.729 nan 8.150 nan 0.000 0.461 95 S N -0.200 115.556 115.700 0.094 0.000 2.646 95 S HA 0.359 4.829 4.470 0.000 0.000 0.273 95 S C 1.255 175.879 174.600 0.040 0.000 1.168 95 S CA 0.116 58.352 58.200 0.060 0.000 1.013 95 S CB 1.088 64.314 63.200 0.044 0.000 1.098 95 S HN 0.623 nan 8.310 nan 0.000 0.544 96 S N -0.167 115.549 115.700 0.026 0.000 2.526 96 S HA 0.032 4.502 4.470 0.000 0.000 0.220 96 S C 0.824 175.433 174.600 0.015 0.000 1.017 96 S CA 0.183 58.394 58.200 0.018 0.000 0.930 96 S CB -0.302 62.905 63.200 0.013 0.000 0.856 96 S HN 0.712 nan 8.310 nan 0.000 0.497 97 D N 1.916 122.325 120.400 0.016 0.000 2.249 97 D HA 0.044 4.684 4.640 0.000 0.000 0.205 97 D C 0.555 176.863 176.300 0.013 0.000 0.962 97 D CA 0.133 54.141 54.000 0.012 0.000 0.860 97 D CB -0.486 40.320 40.800 0.010 0.000 0.955 97 D HN 0.389 nan 8.370 nan 0.000 0.505 98 L N 1.075 122.308 121.223 0.017 0.000 2.315 98 L HA 0.486 4.826 4.340 0.000 0.000 0.283 98 L C 0.345 177.225 176.870 0.018 0.000 1.089 98 L CA -0.677 54.173 54.840 0.017 0.000 0.833 98 L CB 1.061 43.132 42.059 0.020 0.000 1.170 98 L HN 0.032 nan 8.230 nan 0.000 0.442 99 A N 6.199 129.029 122.820 0.016 0.000 2.294 99 A HA 0.760 5.080 4.320 0.000 0.000 0.330 99 A C -2.466 175.126 177.584 0.013 0.000 1.133 99 A CA -1.778 50.267 52.037 0.014 0.000 0.836 99 A CB 0.573 19.581 19.000 0.014 0.000 1.190 99 A HN 0.427 nan 8.150 nan 0.000 0.492 100 P HA 0.300 nan 4.420 nan 0.000 0.265 100 P C 0.969 178.270 177.300 0.001 0.000 1.193 100 P CA 1.959 65.062 63.100 0.004 0.000 0.765 100 P CB 0.752 32.452 31.700 0.001 0.000 0.823 101 G N 1.642 110.440 108.800 -0.004 0.000 2.232 101 G HA2 -0.233 3.727 3.960 0.000 0.000 0.226 101 G HA3 -0.233 3.727 3.960 0.000 0.000 0.226 101 G C 0.246 175.146 174.900 0.000 0.000 0.996 101 G CA -0.293 44.801 45.100 -0.010 0.000 0.626 101 G HN 0.577 nan 8.290 nan 0.000 0.509 102 E N 0.554 120.763 120.200 0.014 0.000 2.383 102 E HA 0.538 4.888 4.350 0.000 0.000 0.264 102 E C 0.487 177.108 176.600 0.035 0.000 1.050 102 E CA -0.406 56.013 56.400 0.032 0.000 0.896 102 E CB 0.340 30.059 29.700 0.032 0.000 0.982 102 E HN 0.360 nan 8.360 nan 0.000 0.424 103 L N 4.590 125.853 121.223 0.066 0.000 2.343 103 L HA 0.499 4.839 4.340 0.000 0.000 0.275 103 L C -0.082 176.839 176.870 0.085 0.000 1.056 103 L CA -0.732 54.149 54.840 0.069 0.000 0.804 103 L CB 1.056 43.166 42.059 0.085 0.000 1.203 103 L HN 0.487 nan 8.230 nan 0.000 0.440 104 I N 2.042 122.647 120.570 0.059 0.000 2.498 104 I HA 0.293 4.463 4.170 0.000 0.000 0.290 104 I C -0.702 175.447 176.117 0.054 0.000 1.032 104 I CA -0.760 60.568 61.300 0.046 0.000 1.073 104 I CB 2.506 40.517 38.000 0.018 0.000 1.251 104 I HN 0.168 nan 8.210 nan 0.000 0.426 105 V N 5.741 125.684 119.914 0.047 0.000 2.277 105 V HA 0.323 4.443 4.120 0.000 0.000 0.269 105 V C 0.740 176.911 176.094 0.128 0.000 1.036 105 V CA -0.721 61.622 62.300 0.072 0.000 0.821 105 V CB 1.041 32.855 31.823 -0.014 0.000 1.052 105 V HN 0.847 nan 8.190 nan 0.000 0.462 106 A N 3.817 126.728 122.820 0.151 0.000 2.540 106 A HA 0.039 4.359 4.320 0.000 0.000 0.264 106 A C 1.307 178.939 177.584 0.080 0.000 1.080 106 A CA 0.393 52.519 52.037 0.148 0.000 0.776 106 A CB 0.029 19.181 19.000 0.253 0.000 1.011 106 A HN 0.941 nan 8.150 nan 0.000 0.514 107 Q N 2.703 122.457 119.800 -0.077 0.000 2.269 107 Q HA 0.244 4.584 4.340 0.000 0.000 0.201 107 Q C 0.714 176.443 176.000 -0.451 0.000 0.946 107 Q CA 1.102 56.611 55.803 -0.490 0.000 0.877 107 Q CB 0.158 28.697 28.738 -0.333 0.000 0.963 107 Q HN 0.910 nan 8.270 nan 0.000 0.472 108 G N -0.647 108.051 108.800 -0.169 0.000 2.623 108 G HA2 0.630 4.590 3.960 0.000 0.000 0.290 108 G HA3 0.630 4.590 3.960 0.000 0.000 0.290 108 G C -1.978 172.969 174.900 0.079 0.000 1.437 108 G CA -0.293 44.761 45.100 -0.076 0.000 0.798 108 G HN 0.175 nan 8.290 nan 0.000 0.488 109 A N 0.139 123.022 122.820 0.106 0.000 2.411 109 A HA 0.651 4.971 4.320 0.000 0.000 0.285 109 A C -0.353 177.186 177.584 -0.075 0.000 1.129 109 A CA -0.455 51.577 52.037 -0.008 0.000 0.736 109 A CB 1.402 20.368 19.000 -0.057 0.000 1.186 109 A HN 1.354 nan 8.150 nan 0.000 0.445 110 V N 4.992 124.806 119.914 -0.167 0.000 2.540 110 V HA 0.173 4.293 4.120 0.000 0.000 0.297 110 V C -1.744 174.248 176.094 -0.171 0.000 1.024 110 V CA -0.366 61.819 62.300 -0.191 0.000 1.105 110 V CB 0.763 32.369 31.823 -0.362 0.000 0.938 110 V HN 0.767 nan 8.190 nan 0.000 0.482 111 P HA 0.256 nan 4.420 nan 0.000 0.274 111 P C 0.050 177.329 177.300 -0.036 0.000 1.470 111 P CA -0.014 63.066 63.100 -0.033 0.000 1.001 111 P CB 0.609 32.339 31.700 0.051 0.000 1.332 112 L N 1.896 123.077 121.223 -0.070 0.000 2.693 112 L HA 0.171 4.511 4.340 0.000 0.000 0.235 112 L C 1.104 177.975 176.870 0.001 0.000 1.127 112 L CA -0.081 54.740 54.840 -0.032 0.000 0.914 112 L CB -0.023 41.989 42.059 -0.078 0.000 1.193 112 L HN 0.309 nan 8.230 nan 0.000 0.502 113 D N -0.417 119.981 120.400 -0.003 0.000 2.277 113 D HA 0.128 4.768 4.640 0.000 0.000 0.250 113 D C 0.994 177.308 176.300 0.023 0.000 1.032 113 D CA -0.244 53.762 54.000 0.009 0.000 0.947 113 D CB 2.187 42.987 40.800 -0.001 0.000 1.159 113 D HN -0.041 nan 8.370 nan 0.000 0.460 114 G N 0.041 108.854 108.800 0.021 0.000 2.551 114 G HA2 -0.143 3.817 3.960 0.000 0.000 0.216 114 G HA3 -0.143 3.817 3.960 0.000 0.000 0.216 114 G C 1.311 176.225 174.900 0.023 0.000 1.137 114 G CA 0.625 45.736 45.100 0.019 0.000 0.798 114 G HN 0.559 nan 8.290 nan 0.000 0.536 115 T N 1.521 116.099 114.554 0.039 0.000 2.622 115 T HA -0.205 4.145 4.350 0.000 0.000 0.266 115 T C 2.885 177.697 174.700 0.187 0.000 1.047 115 T CA 2.447 64.599 62.100 0.086 0.000 1.159 115 T CB -0.805 68.130 68.868 0.111 0.000 0.863 115 T HN 0.548 nan 8.240 nan 0.000 0.422 116 T N 1.058 115.701 114.554 0.148 0.000 2.759 116 T HA -0.159 4.191 4.350 0.000 0.000 0.269 116 T C 1.981 176.747 174.700 0.110 0.000 1.042 116 T CA 1.358 63.542 62.100 0.139 0.000 1.140 116 T CB -0.362 68.549 68.868 0.072 0.000 0.864 116 T HN 0.332 nan 8.240 nan 0.000 0.455 117 R N 0.768 121.310 120.500 0.070 0.000 2.091 117 R HA -0.136 4.204 4.340 0.000 0.000 0.238 117 R C 2.786 179.101 176.300 0.025 0.000 1.136 117 R CA 1.796 57.921 56.100 0.043 0.000 0.959 117 R CB -0.378 29.941 30.300 0.032 0.000 0.856 117 R HN 0.622 nan 8.270 nan 0.000 0.437 118 Q N -0.783 119.019 119.800 0.002 0.000 2.046 118 Q HA -0.196 4.144 4.340 0.000 0.000 0.200 118 Q C 1.783 177.742 176.000 -0.069 0.000 0.975 118 Q CA 1.731 57.494 55.803 -0.066 0.000 0.836 118 Q CB -0.132 28.518 28.738 -0.147 0.000 0.896 118 Q HN 0.479 nan 8.270 nan 0.000 0.428 119 Y N 0.235 120.504 120.300 -0.051 0.000 2.165 119 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 119 Y C 1.982 177.827 175.900 -0.090 0.000 1.155 119 Y CA 1.105 59.163 58.100 -0.069 0.000 1.164 119 Y CB 0.104 38.513 38.460 -0.085 0.000 0.978 119 Y HN 0.131 nan 8.280 nan 0.000 0.513 120 L N -0.289 120.974 121.223 0.066 0.000 2.492 120 L HA -0.058 4.282 4.340 0.000 0.000 0.223 120 L C 0.315 177.182 176.870 -0.005 0.000 1.132 120 L CA 0.609 55.435 54.840 -0.024 0.000 0.850 120 L CB -0.293 41.729 42.059 -0.062 0.000 0.966 120 L HN 0.223 nan 8.230 nan 0.000 0.454 121 E N -0.202 120.000 120.200 0.003 0.000 2.416 121 E HA -0.273 4.077 4.350 0.000 0.000 0.249 121 E C 1.132 177.734 176.600 0.004 0.000 1.124 121 E CA 0.160 56.557 56.400 -0.004 0.000 0.732 121 E CB -1.585 28.111 29.700 -0.006 0.000 1.286 121 E HN 0.671 nan 8.360 nan 0.000 0.394 122 G N -0.016 108.791 108.800 0.011 0.000 2.253 122 G HA2 -0.397 3.563 3.960 0.000 0.000 0.251 122 G HA3 -0.397 3.563 3.960 0.000 0.000 0.251 122 G C 0.411 175.329 174.900 0.029 0.000 0.998 122 G CA 0.405 45.517 45.100 0.020 0.000 0.621 122 G HN 0.302 nan 8.290 nan 0.000 0.524 123 R N 1.463 121.980 120.500 0.027 0.000 2.623 123 R HA 0.370 4.710 4.340 0.000 0.000 0.271 123 R C -2.012 174.333 176.300 0.076 0.000 1.043 123 R CA -0.972 55.153 56.100 0.042 0.000 1.083 123 R CB 0.174 30.494 30.300 0.032 0.000 0.974 123 R HN 0.189 nan 8.270 nan 0.000 0.436 124 P HA 0.003 nan 4.420 nan 0.000 0.269 124 P C -1.434 175.989 177.300 0.205 0.000 1.215 124 P CA 0.250 63.414 63.100 0.107 0.000 0.780 124 P CB 0.396 32.136 31.700 0.067 0.000 0.898 125 Y N 0.102 120.405 120.300 0.005 0.000 2.677 125 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 125 Y C -1.611 174.286 175.900 -0.004 0.000 1.196 125 Y CA -1.141 56.960 58.100 0.002 0.000 1.059 125 Y CB 1.214 39.679 38.460 0.008 0.000 1.315 125 Y HN 0.392 nan 8.280 nan 0.000 0.455 126 A N 4.822 127.183 122.820 -0.763 0.000 2.709 126 A HA 0.624 4.944 4.320 0.000 0.000 0.332 126 A C -2.975 174.217 177.584 -0.653 0.000 1.241 126 A CA -1.693 50.035 52.037 -0.515 0.000 0.782 126 A CB -0.139 18.644 19.000 -0.361 0.000 1.109 126 A HN 0.397 nan 8.150 nan 0.000 0.472 127 P HA 0.236 nan 4.420 nan 0.000 0.261 127 P C -0.240 177.071 177.300 0.018 0.000 1.203 127 P CA 0.416 63.532 63.100 0.026 0.000 0.767 127 P CB 0.722 32.550 31.700 0.213 0.000 0.785 128 V N 2.302 122.128 119.914 -0.146 0.000 3.007 128 V HA 0.765 4.886 4.120 0.000 0.000 0.311 128 V C -2.541 172.995 176.094 -0.930 0.000 1.120 128 V CA -2.887 59.102 62.300 -0.518 0.000 0.980 128 V CB 2.386 33.960 31.823 -0.415 0.000 1.033 128 V HN 0.259 nan 8.190 nan 0.000 0.429 129 P HA 0.217 nan 4.420 nan 0.000 0.289 129 P C -0.826 176.221 177.300 -0.423 0.000 1.299 129 P CA -0.004 62.434 63.100 -1.104 0.000 0.766 129 P CB 0.689 31.856 31.700 -0.889 0.000 1.226 130 D N -0.545 119.744 120.400 -0.184 0.000 2.390 130 D HA 0.086 4.726 4.640 0.000 0.000 0.249 130 D C -1.515 174.779 176.300 -0.010 0.000 1.144 130 D CA -1.587 52.374 54.000 -0.064 0.000 0.880 130 D CB 0.304 41.105 40.800 0.001 0.000 1.182 130 D HN 0.068 nan 8.370 nan 0.000 0.451 131 P HA -0.194 nan 4.420 nan 0.000 0.215 131 P C 0.692 178.089 177.300 0.162 0.000 1.163 131 P CA 1.448 64.603 63.100 0.093 0.000 0.894 131 P CB 0.132 31.864 31.700 0.054 0.000 0.791 132 E N -0.822 119.435 120.200 0.095 0.000 2.077 132 E HA -0.115 4.235 4.350 0.000 0.000 0.193 132 E C 1.997 178.651 176.600 0.090 0.000 0.989 132 E CA 1.019 57.468 56.400 0.081 0.000 0.800 132 E CB -0.594 29.136 29.700 0.050 0.000 0.746 132 E HN 0.022 nan 8.360 nan 0.000 0.452 133 V N 1.327 121.297 119.914 0.095 0.000 2.287 133 V HA -0.266 3.854 4.120 0.000 0.000 0.248 133 V C 2.045 178.223 176.094 0.140 0.000 1.053 133 V CA 1.833 64.192 62.300 0.097 0.000 1.027 133 V CB -0.573 31.304 31.823 0.090 0.000 0.646 133 V HN 0.247 nan 8.190 nan 0.000 0.447 134 F N 1.612 121.569 119.950 0.012 0.000 2.065 134 F HA -0.250 4.277 4.527 0.000 0.000 0.298 134 F C 2.674 178.558 175.800 0.140 0.000 1.112 134 F CA 2.452 60.474 58.000 0.036 0.000 1.212 134 F CB -0.548 38.442 39.000 -0.016 0.000 0.975 134 F HN 0.002 nan 8.300 nan 0.000 0.476 135 R N 0.462 120.955 120.500 -0.012 0.000 2.081 135 R HA -0.147 4.193 4.340 0.000 0.000 0.235 135 R C 2.315 178.586 176.300 -0.049 0.000 1.131 135 R CA 1.478 57.534 56.100 -0.073 0.000 0.960 135 R CB -0.780 29.527 30.300 0.012 0.000 0.856 135 R HN 0.378 nan 8.270 nan 0.000 0.436 136 A N 1.381 124.199 122.820 -0.004 0.000 1.908 136 A HA -0.134 4.186 4.320 0.000 0.000 0.218 136 A C 2.268 179.856 177.584 0.006 0.000 1.181 136 A CA 1.371 53.409 52.037 0.002 0.000 0.627 136 A CB -0.561 18.453 19.000 0.023 0.000 0.818 136 A HN 0.369 nan 8.150 nan 0.000 0.445 137 L N -2.337 118.896 121.223 0.016 0.000 2.017 137 L HA -0.200 4.140 4.340 0.000 0.000 0.208 137 L C 2.618 179.512 176.870 0.039 0.000 1.073 137 L CA 1.441 56.295 54.840 0.024 0.000 0.745 137 L CB -0.539 41.546 42.059 0.043 0.000 0.894 137 L HN 0.721 nan 8.230 nan 0.000 0.432 138 W N 1.544 122.694 121.300 -0.250 0.000 2.335 138 W HA -0.176 4.484 4.660 0.000 0.000 0.311 138 W C 2.735 179.148 176.519 -0.176 0.000 1.213 138 W CA 1.439 58.633 57.345 -0.251 0.000 1.274 138 W CB -0.503 28.702 29.460 -0.425 0.000 1.148 138 W HN 0.016 nan 8.180 nan 0.000 0.498 139 R N -0.461 120.029 120.500 -0.015 0.000 2.073 139 R HA -0.149 4.191 4.340 0.000 0.000 0.234 139 R C 2.368 178.630 176.300 -0.063 0.000 1.134 139 R CA 1.394 57.428 56.100 -0.110 0.000 0.952 139 R CB -0.479 29.750 30.300 -0.119 0.000 0.850 139 R HN -0.089 nan 8.270 nan 0.000 0.433 140 R N 0.188 120.669 120.500 -0.033 0.000 2.127 140 R HA -0.068 4.272 4.340 0.000 0.000 0.238 140 R C 2.050 178.322 176.300 -0.046 0.000 1.134 140 R CA 1.472 57.558 56.100 -0.024 0.000 0.975 140 R CB -0.553 29.752 30.300 0.009 0.000 0.865 140 R HN 0.253 nan 8.270 nan 0.000 0.447 141 A N 0.628 123.396 122.820 -0.086 0.000 1.968 141 A HA -0.123 4.197 4.320 0.000 0.000 0.217 141 A C 2.022 179.464 177.584 -0.237 0.000 1.169 141 A CA 1.097 53.012 52.037 -0.203 0.000 0.638 141 A CB -0.200 18.506 19.000 -0.491 0.000 0.812 141 A HN 0.318 nan 8.150 nan 0.000 0.446 142 E N -0.273 119.850 120.200 -0.129 0.000 2.046 142 E HA -0.053 4.297 4.350 0.000 0.000 0.190 142 E C 2.378 178.951 176.600 -0.046 0.000 0.982 142 E CA 0.830 57.237 56.400 0.012 0.000 0.800 142 E CB -0.248 29.468 29.700 0.027 0.000 0.756 142 E HN 0.585 nan 8.360 nan 0.000 0.449 143 A N 1.228 124.002 122.820 -0.076 0.000 1.883 143 A HA -0.168 4.152 4.320 0.000 0.000 0.217 143 A C 2.054 179.553 177.584 -0.141 0.000 1.186 143 A CA 1.166 53.151 52.037 -0.086 0.000 0.624 143 A CB -0.713 18.246 19.000 -0.069 0.000 0.822 143 A HN 0.184 nan 8.150 nan 0.000 0.444 144 L N -0.301 120.795 121.223 -0.212 0.000 2.675 144 L HA 0.091 4.432 4.340 0.000 0.000 0.238 144 L C 1.582 178.060 176.870 -0.653 0.000 1.155 144 L CA 0.314 54.883 54.840 -0.451 0.000 0.881 144 L CB -0.885 40.854 42.059 -0.532 0.000 1.008 144 L HN 0.599 nan 8.230 nan 0.000 0.443 145 G N -0.326 108.293 108.800 -0.301 0.000 2.379 145 G HA2 -0.321 3.639 3.960 0.000 0.000 0.297 145 G HA3 -0.321 3.639 3.960 0.000 0.000 0.297 145 G C -0.268 174.586 174.900 -0.075 0.000 1.004 145 G CA 0.051 45.060 45.100 -0.151 0.000 0.921 145 G HN 0.289 nan 8.290 nan 0.000 0.511 146 Y N 0.412 120.763 120.300 0.084 0.000 2.326 146 Y HA 0.434 4.984 4.550 0.000 0.000 0.337 146 Y C -1.407 174.635 175.900 0.236 0.000 1.023 146 Y CA -3.223 54.941 58.100 0.108 0.000 1.143 146 Y CB 1.234 39.730 38.460 0.060 0.000 1.183 146 Y HN 0.050 nan 8.280 nan 0.000 0.485 147 P HA 0.027 nan 4.420 nan 0.000 0.263 147 P C -0.612 176.878 177.300 0.317 0.000 1.195 147 P CA 0.853 64.119 63.100 0.277 0.000 0.762 147 P CB 0.611 32.404 31.700 0.154 0.000 0.799 148 H N 1.858 120.986 119.070 0.096 0.000 2.942 148 H HA 0.624 5.180 4.556 0.000 0.000 0.316 148 H C -0.649 174.700 175.328 0.035 0.000 1.323 148 H CA -1.045 55.043 56.048 0.066 0.000 1.144 148 H CB 1.217 31.029 29.762 0.084 0.000 1.866 148 H HN 0.224 nan 8.280 nan 0.000 0.545 149 R N 0.273 120.775 120.500 0.003 0.000 2.744 149 R HA 0.560 4.900 4.340 0.000 0.000 0.279 149 R C -1.189 175.057 176.300 -0.089 0.000 0.977 149 R CA -1.086 54.960 56.100 -0.089 0.000 0.906 149 R CB 2.726 32.999 30.300 -0.045 0.000 1.197 149 R HN 0.446 nan 8.270 nan 0.000 0.463 150 V N 1.574 121.375 119.914 -0.189 0.000 2.376 150 V HA 0.800 4.920 4.120 0.000 0.000 0.287 150 V C 0.396 176.383 176.094 -0.179 0.000 1.015 150 V CA -0.299 61.827 62.300 -0.290 0.000 0.834 150 V CB 1.348 32.694 31.823 -0.795 0.000 1.001 150 V HN 1.021 nan 8.190 nan 0.000 0.428 151 G N 3.901 112.641 108.800 -0.099 0.000 2.450 151 G HA2 0.440 4.400 3.960 0.000 0.000 0.273 151 G HA3 0.440 4.400 3.960 0.000 0.000 0.273 151 G C -1.636 173.224 174.900 -0.067 0.000 1.221 151 G CA -0.853 44.199 45.100 -0.079 0.000 0.900 151 G HN 0.475 nan 8.290 nan 0.000 0.483 152 L N 0.931 122.114 121.223 -0.068 0.000 2.334 152 L HA 0.671 5.011 4.340 0.000 0.000 0.277 152 L C 0.552 177.351 176.870 -0.119 0.000 1.075 152 L CA -0.940 53.849 54.840 -0.083 0.000 0.804 152 L CB 1.477 43.489 42.059 -0.079 0.000 1.174 152 L HN 0.614 nan 8.230 nan 0.000 0.438 153 V N -0.074 119.750 119.914 -0.149 0.000 3.046 153 V HA 0.957 5.077 4.120 0.000 0.000 0.316 153 V C -0.424 175.457 176.094 -0.355 0.000 1.104 153 V CA -0.753 61.408 62.300 -0.232 0.000 1.006 153 V CB 1.817 33.548 31.823 -0.153 0.000 1.058 153 V HN 0.802 nan 8.190 nan 0.000 0.440 154 A N 1.500 123.983 122.820 -0.561 0.000 2.331 154 A HA 0.828 5.148 4.320 0.000 0.000 0.320 154 A C -0.095 177.252 177.584 -0.395 0.000 1.138 154 A CA -0.510 51.130 52.037 -0.661 0.000 0.790 154 A CB 1.401 19.619 19.000 -1.305 0.000 1.206 154 A HN 1.050 nan 8.150 nan 0.000 0.470 155 S N 1.998 117.538 115.700 -0.268 0.000 2.448 155 S HA 0.463 4.933 4.470 0.000 0.000 0.320 155 S C -0.125 174.419 174.600 -0.093 0.000 1.071 155 S CA -0.608 57.503 58.200 -0.149 0.000 1.113 155 S CB 0.607 63.718 63.200 -0.147 0.000 0.972 155 S HN 0.810 nan 8.310 nan 0.000 0.465 156 E N 1.960 122.147 120.200 -0.020 0.000 2.316 156 E HA 0.539 4.889 4.350 0.000 0.000 0.258 156 E C -0.820 175.792 176.600 0.019 0.000 0.952 156 E CA -0.881 55.525 56.400 0.011 0.000 0.818 156 E CB 0.870 30.605 29.700 0.059 0.000 1.260 156 E HN 0.184 nan 8.360 nan 0.000 0.416 157 D N -0.329 120.087 120.400 0.027 0.000 2.463 157 D HA 0.172 4.812 4.640 0.000 0.000 0.237 157 D C -0.102 176.230 176.300 0.054 0.000 1.013 157 D CA 0.507 54.527 54.000 0.034 0.000 0.910 157 D CB 0.565 41.382 40.800 0.029 0.000 1.080 157 D HN 0.483 nan 8.370 nan 0.000 0.498 158 A N 0.582 123.433 122.820 0.051 0.000 2.341 158 A HA 0.284 4.604 4.320 0.000 0.000 0.326 158 A C 0.448 178.059 177.584 0.044 0.000 1.402 158 A CA -0.546 51.534 52.037 0.071 0.000 0.957 158 A CB -0.289 18.748 19.000 0.062 0.000 1.151 158 A HN 0.075 nan 8.150 nan 0.000 0.533 159 F N 2.636 122.533 119.950 -0.088 0.000 2.095 159 F HA -0.194 4.333 4.527 0.000 0.000 0.298 159 F C 1.159 176.768 175.800 -0.318 0.000 1.104 159 F CA 2.039 59.894 58.000 -0.241 0.000 1.232 159 F CB -0.075 38.709 39.000 -0.361 0.000 0.987 159 F HN 0.686 nan 8.300 nan 0.000 0.475 160 Y N -0.420 119.974 120.300 0.156 0.000 2.462 160 Y HA 0.266 4.816 4.550 0.000 0.000 0.293 160 Y C 1.838 177.715 175.900 -0.038 0.000 1.195 160 Y CA 0.084 58.214 58.100 0.050 0.000 1.276 160 Y CB -0.438 38.104 38.460 0.136 0.000 1.082 160 Y HN 0.177 nan 8.280 nan 0.000 0.514 161 A N -0.756 122.079 122.820 0.026 0.000 1.901 161 A HA 0.037 4.357 4.320 0.000 0.000 0.210 161 A C 1.317 178.862 177.584 -0.064 0.000 1.208 161 A CA 0.367 52.407 52.037 0.006 0.000 0.644 161 A CB -0.619 18.393 19.000 0.019 0.000 0.863 161 A HN 0.153 nan 8.150 nan 0.000 0.454 162 T N 2.240 116.695 114.554 -0.164 0.000 2.934 162 T HA 0.368 4.719 4.350 0.000 0.000 0.306 162 T C 0.453 175.020 174.700 -0.223 0.000 1.042 162 T CA 0.828 62.786 62.100 -0.237 0.000 1.145 162 T CB 0.305 68.875 68.868 -0.497 0.000 0.982 162 T HN 0.623 nan 8.240 nan 0.000 0.544 163 T N 0.950 115.415 114.554 -0.149 0.000 2.940 163 T HA 0.443 4.793 4.350 0.000 0.000 0.288 163 T C -2.092 172.542 174.700 -0.110 0.000 1.033 163 T CA -2.362 59.673 62.100 -0.108 0.000 1.033 163 T CB 1.650 70.489 68.868 -0.049 0.000 1.079 163 T HN 0.094 nan 8.240 nan 0.000 0.496 164 P HA -0.128 nan 4.420 nan 0.000 0.216 164 P C 1.355 178.641 177.300 -0.022 0.000 1.150 164 P CA 1.084 64.148 63.100 -0.059 0.000 0.843 164 P CB 0.163 31.839 31.700 -0.040 0.000 0.787 165 E N 0.075 120.265 120.200 -0.017 0.000 2.072 165 E HA -0.201 4.149 4.350 0.000 0.000 0.191 165 E C 1.715 178.329 176.600 0.023 0.000 0.985 165 E CA 1.004 57.404 56.400 -0.001 0.000 0.801 165 E CB -0.200 29.495 29.700 -0.008 0.000 0.750 165 E HN 0.293 nan 8.360 nan 0.000 0.452 166 E N 0.211 120.430 120.200 0.031 0.000 2.150 166 E HA -0.145 4.205 4.350 0.000 0.000 0.193 166 E C 1.989 178.742 176.600 0.255 0.000 0.985 166 E CA 0.781 57.245 56.400 0.107 0.000 0.814 166 E CB -0.055 29.710 29.700 0.108 0.000 0.752 166 E HN 0.328 nan 8.360 nan 0.000 0.466 167 A N 1.567 124.471 122.820 0.140 0.000 1.873 167 A HA -0.139 4.181 4.320 0.000 0.000 0.215 167 A C 2.078 179.846 177.584 0.307 0.000 1.186 167 A CA 1.005 53.197 52.037 0.257 0.000 0.616 167 A CB -0.280 18.719 19.000 -0.001 0.000 0.823 167 A HN 0.039 nan 8.150 nan 0.000 0.442 168 R N -0.525 120.064 120.500 0.148 0.000 2.096 168 R HA -0.108 4.232 4.340 0.000 0.000 0.235 168 R C 2.474 178.823 176.300 0.082 0.000 1.127 168 R CA 1.137 57.296 56.100 0.099 0.000 0.968 168 R CB -0.455 29.868 30.300 0.037 0.000 0.861 168 R HN 0.531 nan 8.270 nan 0.000 0.440 169 A N 0.369 123.230 122.820 0.067 0.000 1.865 169 A HA -0.195 4.125 4.320 0.000 0.000 0.217 169 A C 1.812 179.397 177.584 0.001 0.000 1.191 169 A CA 1.231 53.243 52.037 -0.041 0.000 0.623 169 A CB -0.974 17.974 19.000 -0.087 0.000 0.826 169 A HN 0.474 nan 8.150 nan 0.000 0.444 170 W N -0.363 121.038 121.300 0.168 0.000 2.374 170 W HA -0.030 4.630 4.660 0.000 0.000 0.288 170 W C 2.685 179.286 176.519 0.136 0.000 1.218 170 W CA 1.111 58.606 57.345 0.250 0.000 1.245 170 W CB -0.014 29.627 29.460 0.301 0.000 1.126 170 W HN 0.426 nan 8.180 nan 0.000 0.545 171 A N 0.388 123.394 122.820 0.310 0.000 1.972 171 A HA -0.187 4.133 4.320 0.000 0.000 0.219 171 A C 1.887 179.515 177.584 0.072 0.000 1.169 171 A CA 1.295 53.431 52.037 0.165 0.000 0.635 171 A CB -0.621 18.451 19.000 0.119 0.000 0.810 171 A HN 0.296 nan 8.150 nan 0.000 0.446 172 R N -2.042 118.437 120.500 -0.035 0.000 2.285 172 R HA -0.088 4.252 4.340 0.000 0.000 0.213 172 R C 0.509 176.678 176.300 -0.218 0.000 1.068 172 R CA 0.991 56.980 56.100 -0.185 0.000 1.004 172 R CB -0.201 29.892 30.300 -0.346 0.000 0.873 172 R HN 0.689 nan 8.270 nan 0.000 0.467 173 Y N -1.312 119.032 120.300 0.074 0.000 2.458 173 Y HA 0.253 4.803 4.550 0.000 0.000 0.256 173 Y C 1.556 177.505 175.900 0.081 0.000 1.159 173 Y CA 0.269 58.416 58.100 0.078 0.000 1.261 173 Y CB 1.095 39.631 38.460 0.128 0.000 1.119 173 Y HN 0.203 nan 8.280 nan 0.000 0.524 174 G N -0.671 108.237 108.800 0.179 0.000 2.218 174 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 174 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 174 G C -0.122 174.815 174.900 0.062 0.000 0.994 174 G CA -0.079 45.081 45.100 0.100 0.000 0.637 174 G HN 0.022 nan 8.290 nan 0.000 0.505 175 V N 2.467 122.438 119.914 0.096 0.000 2.493 175 V HA 0.239 4.359 4.120 0.000 0.000 0.292 175 V C 1.893 177.959 176.094 -0.047 0.000 1.016 175 V CA 0.823 63.094 62.300 -0.048 0.000 1.097 175 V CB 1.071 32.815 31.823 -0.132 0.000 0.947 175 V HN 0.350 nan 8.190 nan 0.000 0.479 176 L N 4.366 125.538 121.223 -0.085 0.000 2.249 176 L HA 0.430 4.770 4.340 0.000 0.000 0.207 176 L C 0.936 177.785 176.870 -0.034 0.000 1.090 176 L CA 1.070 55.886 54.840 -0.040 0.000 0.802 176 L CB -0.054 41.982 42.059 -0.038 0.000 0.947 176 L HN 0.777 nan 8.230 nan 0.000 0.453 177 A N -1.328 121.420 122.820 -0.120 0.000 2.601 177 A HA 0.648 4.968 4.320 0.000 0.000 0.291 177 A C -1.842 175.603 177.584 -0.231 0.000 1.075 177 A CA -0.514 51.491 52.037 -0.052 0.000 0.671 177 A CB 0.742 19.740 19.000 -0.003 0.000 1.277 177 A HN -0.089 nan 8.150 nan 0.000 0.417 178 F N 0.666 120.554 119.950 -0.104 0.000 2.450 178 F HA 0.654 5.181 4.527 0.000 0.000 0.332 178 F C 0.637 176.375 175.800 -0.104 0.000 1.093 178 F CA 0.105 58.022 58.000 -0.139 0.000 1.003 178 F CB 2.194 41.089 39.000 -0.175 0.000 1.151 178 F HN 0.838 nan 8.300 nan 0.000 0.474 179 E N 0.584 120.806 120.200 0.037 0.000 2.435 179 E HA 0.608 4.958 4.350 0.000 0.000 0.272 179 E C -1.287 175.312 176.600 -0.001 0.000 1.031 179 E CA -0.872 55.537 56.400 0.016 0.000 0.872 179 E CB 1.527 31.206 29.700 -0.034 0.000 1.588 179 E HN 0.480 nan 8.360 nan 0.000 0.460 180 M N 0.215 119.807 119.600 -0.013 0.000 3.114 180 M HA 0.397 4.877 4.480 0.000 0.000 0.386 180 M C -0.765 175.501 176.300 -0.057 0.000 1.417 180 M CA 0.150 55.438 55.300 -0.021 0.000 0.785 180 M CB 0.652 33.263 32.600 0.018 0.000 1.413 180 M HN 0.619 nan 8.290 nan 0.000 0.498 181 E N -0.461 119.678 120.200 -0.102 0.000 2.521 181 E HA 0.267 4.617 4.350 0.000 0.000 0.199 181 E C 1.683 178.147 176.600 -0.228 0.000 1.006 181 E CA 0.623 56.946 56.400 -0.129 0.000 1.630 181 E CB -0.067 29.571 29.700 -0.104 0.000 2.725 181 E HN 0.331 nan 8.360 nan 0.000 1.103 182 A N 1.535 124.166 122.820 -0.316 0.000 1.881 182 A HA -0.334 3.986 4.320 0.000 0.000 0.219 182 A C 2.273 179.413 177.584 -0.741 0.000 1.215 182 A CA 3.119 54.772 52.037 -0.639 0.000 0.648 182 A CB -1.304 17.338 19.000 -0.597 0.000 0.832 182 A HN 0.354 nan 8.150 nan 0.000 0.455 183 S N 0.427 115.893 115.700 -0.390 0.000 2.369 183 S HA -0.186 4.284 4.470 0.000 0.000 0.225 183 S C 2.145 176.672 174.600 -0.122 0.000 1.043 183 S CA 2.253 60.339 58.200 -0.190 0.000 1.074 183 S CB -1.180 61.969 63.200 -0.085 0.000 0.962 183 S HN 1.316 nan 8.310 nan 0.000 0.433 184 A N 1.746 124.492 122.820 -0.123 0.000 1.940 184 A HA 0.047 4.367 4.320 0.000 0.000 0.219 184 A C 2.282 179.794 177.584 -0.121 0.000 1.176 184 A CA 1.671 53.650 52.037 -0.098 0.000 0.631 184 A CB -0.916 18.048 19.000 -0.059 0.000 0.814 184 A HN 0.583 nan 8.150 nan 0.000 0.446 185 L N -0.824 120.298 121.223 -0.167 0.000 2.017 185 L HA -0.089 4.251 4.340 0.000 0.000 0.208 185 L C 2.287 179.199 176.870 0.068 0.000 1.073 185 L CA 1.927 56.704 54.840 -0.105 0.000 0.745 185 L CB -0.831 41.113 42.059 -0.193 0.000 0.894 185 L HN 0.474 nan 8.230 nan 0.000 0.432 186 F N -1.526 118.411 119.950 -0.022 0.000 2.134 186 F HA -0.247 4.280 4.527 0.000 0.000 0.299 186 F C 2.349 178.164 175.800 0.025 0.000 1.097 186 F CA 0.594 58.592 58.000 -0.003 0.000 1.264 186 F CB -0.335 38.660 39.000 -0.009 0.000 1.001 186 F HN 0.247 nan 8.300 nan 0.000 0.479 187 L N 0.823 122.170 121.223 0.207 0.000 1.994 187 L HA -0.195 4.145 4.340 0.000 0.000 0.208 187 L C 2.084 178.911 176.870 -0.072 0.000 1.071 187 L CA 1.707 56.592 54.840 0.075 0.000 0.745 187 L CB -0.939 41.065 42.059 -0.091 0.000 0.892 187 L HN 0.080 nan 8.230 nan 0.000 0.431 188 L N -0.580 120.552 121.223 -0.150 0.000 2.127 188 L HA -0.156 4.184 4.340 0.000 0.000 0.211 188 L C 2.488 179.321 176.870 -0.062 0.000 1.089 188 L CA 1.154 55.883 54.840 -0.184 0.000 0.757 188 L CB -1.345 40.590 42.059 -0.206 0.000 0.899 188 L HN 0.518 nan 8.230 nan 0.000 0.434 189 G N -0.378 108.431 108.800 0.015 0.000 2.446 189 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 189 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 189 G C 1.721 176.637 174.900 0.026 0.000 1.168 189 G CA 0.301 45.426 45.100 0.042 0.000 0.771 189 G HN 0.151 nan 8.290 nan 0.000 0.551 190 R N -0.229 120.295 120.500 0.040 0.000 2.115 190 R HA 0.158 4.498 4.340 0.000 0.000 0.230 190 R C 2.634 178.938 176.300 0.006 0.000 1.111 190 R CA 0.820 56.944 56.100 0.039 0.000 0.976 190 R CB -0.614 29.745 30.300 0.099 0.000 0.870 190 R HN 0.435 nan 8.270 nan 0.000 0.445 191 M N -0.058 119.523 119.600 -0.032 0.000 2.236 191 M HA -0.050 4.430 4.480 0.000 0.000 0.266 191 M C 1.400 177.681 176.300 -0.032 0.000 1.070 191 M CA 1.354 56.623 55.300 -0.052 0.000 1.137 191 M CB 0.106 32.637 32.600 -0.115 0.000 1.378 191 M HN -0.152 nan 8.290 nan 0.000 0.426 192 R N -0.011 120.471 120.500 -0.030 0.000 2.334 192 R HA 0.263 4.603 4.340 0.000 0.000 0.216 192 R C 0.784 177.083 176.300 -0.001 0.000 0.905 192 R CA 0.516 56.608 56.100 -0.013 0.000 1.064 192 R CB -0.351 29.940 30.300 -0.016 0.000 1.046 192 R HN 0.509 nan 8.270 nan 0.000 0.508 193 G N 1.467 110.269 108.800 0.003 0.000 2.225 193 G HA2 -0.254 3.706 3.960 0.000 0.000 0.264 193 G HA3 -0.254 3.706 3.960 0.000 0.000 0.264 193 G C 0.123 175.030 174.900 0.013 0.000 1.060 193 G CA 0.453 45.559 45.100 0.009 0.000 0.833 193 G HN 0.273 nan 8.290 nan 0.000 0.498 194 V N -4.044 115.880 119.914 0.016 0.000 3.113 194 V HA 0.897 5.017 4.120 0.000 0.000 0.316 194 V C 0.263 176.376 176.094 0.030 0.000 1.125 194 V CA -2.000 60.314 62.300 0.023 0.000 1.026 194 V CB 1.689 33.526 31.823 0.024 0.000 1.080 194 V HN 0.331 nan 8.190 nan 0.000 0.444 195 R N 1.477 121.998 120.500 0.036 0.000 2.229 195 R HA 0.681 5.021 4.340 0.000 0.000 0.328 195 R C -0.158 176.180 176.300 0.062 0.000 1.009 195 R CA -0.038 56.086 56.100 0.040 0.000 0.864 195 R CB 1.569 31.892 30.300 0.039 0.000 1.085 195 R HN 1.065 nan 8.270 nan 0.000 0.453 196 T N -1.055 113.546 114.554 0.078 0.000 2.916 196 T HA 0.871 5.221 4.350 0.000 0.000 0.292 196 T C 0.076 174.873 174.700 0.162 0.000 1.064 196 T CA -0.920 61.268 62.100 0.145 0.000 1.011 196 T CB 2.447 71.458 68.868 0.238 0.000 1.152 196 T HN 0.639 nan 8.240 nan 0.000 0.510 197 G N -0.874 108.087 108.800 0.269 0.000 2.623 197 G HA2 0.772 4.732 3.960 0.000 0.000 0.290 197 G HA3 0.772 4.732 3.960 0.000 0.000 0.290 197 G C -1.821 173.299 174.900 0.367 0.000 1.437 197 G CA -0.509 44.769 45.100 0.296 0.000 0.798 197 G HN 1.297 nan 8.290 nan 0.000 0.488 198 A N 0.009 123.046 122.820 0.361 0.000 2.459 198 A HA 0.757 5.078 4.320 0.000 0.000 0.296 198 A C -1.383 176.297 177.584 0.160 0.000 1.039 198 A CA -0.445 51.724 52.037 0.220 0.000 0.698 198 A CB 1.364 20.462 19.000 0.162 0.000 1.261 198 A HN 1.449 nan 8.150 nan 0.000 0.405 199 I N 2.895 123.517 120.570 0.088 0.000 2.498 199 I HA 0.724 4.894 4.170 0.000 0.000 0.290 199 I C -1.683 174.454 176.117 0.033 0.000 1.032 199 I CA -1.161 60.177 61.300 0.062 0.000 1.073 199 I CB 1.395 39.422 38.000 0.045 0.000 1.251 199 I HN 0.651 nan 8.210 nan 0.000 0.426 200 L N 7.132 128.372 121.223 0.027 0.000 2.354 200 L HA 0.810 5.150 4.340 0.000 0.000 0.264 200 L C -0.492 176.384 176.870 0.010 0.000 1.008 200 L CA -0.675 54.172 54.840 0.011 0.000 0.819 200 L CB 1.964 44.025 42.059 0.003 0.000 1.339 200 L HN 0.638 nan 8.230 nan 0.000 0.420 201 A N 1.834 124.653 122.820 -0.000 0.000 2.304 201 A HA 0.672 4.992 4.320 0.000 0.000 0.314 201 A C -0.537 177.045 177.584 -0.002 0.000 1.187 201 A CA -0.559 51.475 52.037 -0.005 0.000 0.810 201 A CB 1.094 20.082 19.000 -0.021 0.000 1.183 201 A HN 0.389 nan 8.150 nan 0.000 0.487 202 V N 3.422 123.338 119.914 0.004 0.000 2.485 202 V HA 0.107 4.227 4.120 0.000 0.000 0.287 202 V C 1.450 177.546 176.094 0.003 0.000 1.022 202 V CA 1.242 63.547 62.300 0.009 0.000 1.067 202 V CB 0.698 32.530 31.823 0.015 0.000 0.967 202 V HN 1.121 nan 8.190 nan 0.000 0.479 203 S N 3.109 118.813 115.700 0.007 0.000 2.512 203 S HA 0.199 4.669 4.470 0.000 0.000 0.216 203 S C 0.359 174.965 174.600 0.011 0.000 1.006 203 S CA 0.133 58.334 58.200 0.002 0.000 0.915 203 S CB -0.169 63.030 63.200 -0.002 0.000 0.824 203 S HN 0.985 nan 8.310 nan 0.000 0.497 204 N N -0.294 118.416 118.700 0.017 0.000 3.261 204 N HA 0.384 5.124 4.740 0.000 0.000 0.248 204 N C -1.775 173.740 175.510 0.008 0.000 1.498 204 N CA -1.204 51.855 53.050 0.015 0.000 0.884 204 N CB 0.693 39.197 38.487 0.028 0.000 1.428 204 N HN -0.023 nan 8.380 nan 0.000 0.517 205 R N 0.250 120.748 120.500 -0.003 0.000 2.494 205 R HA 0.444 4.784 4.340 0.000 0.000 0.305 205 R C -0.332 175.937 176.300 -0.053 0.000 0.959 205 R CA -1.077 55.016 56.100 -0.012 0.000 0.864 205 R CB 1.221 31.518 30.300 -0.005 0.000 1.159 205 R HN 0.496 nan 8.270 nan 0.000 0.446 206 I N 2.358 122.874 120.570 -0.091 0.000 2.989 206 I HA -0.189 3.981 4.170 0.000 0.000 0.311 206 I C 1.561 177.592 176.117 -0.145 0.000 1.221 206 I CA 1.774 62.957 61.300 -0.195 0.000 1.449 206 I CB -0.156 37.677 38.000 -0.280 0.000 1.325 206 I HN 1.095 nan 8.210 nan 0.000 0.557 207 G N 5.353 114.057 108.800 -0.160 0.000 2.258 207 G HA2 -0.204 3.756 3.960 0.000 0.000 0.233 207 G HA3 -0.204 3.756 3.960 0.000 0.000 0.233 207 G C 0.169 175.050 174.900 -0.030 0.000 1.006 207 G CA -0.185 44.865 45.100 -0.084 0.000 0.620 207 G HN 0.538 nan 8.290 nan 0.000 0.511 208 D N 2.004 122.388 120.400 -0.027 0.000 2.458 208 D HA 0.350 4.990 4.640 0.000 0.000 0.243 208 D C -0.050 176.278 176.300 0.046 0.000 1.146 208 D CA -0.497 53.508 54.000 0.009 0.000 0.877 208 D CB 1.386 42.192 40.800 0.009 0.000 1.176 208 D HN 0.280 nan 8.370 nan 0.000 0.461 209 P HA -0.043 nan 4.420 nan 0.000 0.220 209 P C -0.133 177.216 177.300 0.082 0.000 1.152 209 P CA 0.853 64.001 63.100 0.080 0.000 0.812 209 P CB 0.865 32.597 31.700 0.053 0.000 0.792 210 E N -0.967 119.266 120.200 0.055 0.000 2.392 210 E HA 0.462 4.812 4.350 0.000 0.000 0.269 210 E C -0.187 176.434 176.600 0.036 0.000 0.924 210 E CA -1.068 55.358 56.400 0.044 0.000 0.784 210 E CB 1.873 31.588 29.700 0.025 0.000 1.292 210 E HN -0.090 nan 8.360 nan 0.000 0.447 211 L N 0.881 122.118 121.223 0.025 0.000 2.482 211 L HA 0.409 4.749 4.340 0.000 0.000 0.242 211 L C 0.602 177.474 176.870 0.004 0.000 1.210 211 L CA -0.484 54.365 54.840 0.015 0.000 0.819 211 L CB 0.199 42.258 42.059 0.001 0.000 1.203 211 L HN 0.590 nan 8.230 nan 0.000 0.495 212 A N 0.099 122.917 122.820 -0.003 0.000 2.313 212 A HA 0.451 4.771 4.320 0.000 0.000 0.261 212 A C -2.261 175.314 177.584 -0.015 0.000 1.090 212 A CA -1.192 50.841 52.037 -0.007 0.000 0.807 212 A CB -0.645 18.350 19.000 -0.009 0.000 1.055 212 A HN 0.454 nan 8.150 nan 0.000 0.492 213 P HA 0.058 nan 4.420 nan 0.000 0.263 213 P C -1.914 175.368 177.300 -0.031 0.000 1.175 213 P CA -0.560 62.529 63.100 -0.018 0.000 0.761 213 P CB 0.047 31.739 31.700 -0.013 0.000 0.794 214 P HA -0.262 nan 4.420 nan 0.000 0.217 214 P C 1.405 178.669 177.300 -0.061 0.000 1.158 214 P CA 1.459 64.526 63.100 -0.055 0.000 0.887 214 P CB -0.019 31.652 31.700 -0.050 0.000 0.792 215 E N -0.334 119.840 120.200 -0.043 0.000 2.051 215 E HA -0.157 4.193 4.350 0.000 0.000 0.192 215 E C 1.794 178.372 176.600 -0.037 0.000 0.991 215 E CA 1.537 57.915 56.400 -0.037 0.000 0.799 215 E CB -0.366 29.321 29.700 -0.021 0.000 0.748 215 E HN -0.017 nan 8.360 nan 0.000 0.449 216 V N 1.789 121.685 119.914 -0.029 0.000 2.343 216 V HA -0.249 3.871 4.120 0.000 0.000 0.247 216 V C 2.572 178.643 176.094 -0.038 0.000 1.051 216 V CA 1.581 63.866 62.300 -0.025 0.000 1.036 216 V CB -0.534 31.279 31.823 -0.016 0.000 0.654 216 V HN 0.357 nan 8.190 nan 0.000 0.451 217 L N -0.239 120.955 121.223 -0.049 0.000 2.056 217 L HA -0.215 4.125 4.340 0.000 0.000 0.207 217 L C 2.704 179.517 176.870 -0.095 0.000 1.078 217 L CA 1.814 56.616 54.840 -0.063 0.000 0.749 217 L CB -0.260 41.760 42.059 -0.066 0.000 0.901 217 L HN 0.380 nan 8.230 nan 0.000 0.433 218 Q N 0.384 120.113 119.800 -0.118 0.000 2.096 218 Q HA -0.311 4.029 4.340 0.000 0.000 0.204 218 Q C 1.910 177.837 176.000 -0.122 0.000 0.982 218 Q CA 2.301 57.998 55.803 -0.175 0.000 0.850 218 Q CB -0.186 28.444 28.738 -0.181 0.000 0.901 218 Q HN 0.487 nan 8.270 nan 0.000 0.422 219 E N -0.853 119.307 120.200 -0.067 0.000 2.077 219 E HA -0.078 4.272 4.350 0.000 0.000 0.193 219 E C 1.833 178.392 176.600 -0.068 0.000 0.989 219 E CA 1.697 58.074 56.400 -0.039 0.000 0.800 219 E CB -1.004 28.680 29.700 -0.027 0.000 0.746 219 E HN 0.449 nan 8.360 nan 0.000 0.452 220 G N 0.158 108.913 108.800 -0.075 0.000 2.440 220 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 220 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 220 G C 1.744 176.600 174.900 -0.073 0.000 1.154 220 G CA 1.100 46.149 45.100 -0.084 0.000 0.767 220 G HN 0.266 nan 8.290 nan 0.000 0.552 221 V N 0.559 120.434 119.914 -0.065 0.000 2.407 221 V HA -0.162 3.958 4.120 0.000 0.000 0.248 221 V C 2.787 178.926 176.094 0.075 0.000 1.055 221 V CA 2.060 64.339 62.300 -0.036 0.000 1.049 221 V CB -0.450 31.294 31.823 -0.131 0.000 0.662 221 V HN 0.383 nan 8.190 nan 0.000 0.455 222 R N 0.080 120.651 120.500 0.117 0.000 2.073 222 R HA -0.139 4.201 4.340 0.000 0.000 0.234 222 R C 2.599 178.977 176.300 0.131 0.000 1.134 222 R CA 1.543 57.839 56.100 0.327 0.000 0.952 222 R CB -0.124 30.366 30.300 0.317 0.000 0.850 222 R HN 0.481 nan 8.270 nan 0.000 0.433 223 R N 0.231 120.674 120.500 -0.095 0.000 2.075 223 R HA -0.141 4.199 4.340 0.000 0.000 0.232 223 R C 2.458 178.684 176.300 -0.124 0.000 1.126 223 R CA 1.728 57.636 56.100 -0.320 0.000 0.963 223 R CB -0.587 29.203 30.300 -0.851 0.000 0.858 223 R HN 0.336 nan 8.270 nan 0.000 0.435 224 M N 1.151 120.699 119.600 -0.088 0.000 2.073 224 M HA -0.194 4.286 4.480 0.000 0.000 0.258 224 M C 2.008 178.269 176.300 -0.065 0.000 1.070 224 M CA 1.872 57.145 55.300 -0.045 0.000 1.103 224 M CB -0.156 32.427 32.600 -0.027 0.000 1.321 224 M HN -0.027 nan 8.290 nan 0.000 0.405 225 V N 0.734 120.587 119.914 -0.101 0.000 2.343 225 V HA -0.271 3.849 4.120 0.000 0.000 0.247 225 V C 2.354 178.215 176.094 -0.389 0.000 1.051 225 V CA 2.395 64.527 62.300 -0.280 0.000 1.036 225 V CB -1.015 30.547 31.823 -0.435 0.000 0.654 225 V HN 0.642 nan 8.190 nan 0.000 0.451 226 E N 0.131 120.188 120.200 -0.237 0.000 2.038 226 E HA -0.214 4.136 4.350 0.000 0.000 0.195 226 E C 2.223 178.813 176.600 -0.017 0.000 1.000 226 E CA 1.992 58.349 56.400 -0.072 0.000 0.803 226 E CB -0.110 29.713 29.700 0.206 0.000 0.750 226 E HN 0.380 nan 8.360 nan 0.000 0.448 227 V N 1.390 121.328 119.914 0.040 0.000 2.282 227 V HA -0.344 3.776 4.120 0.000 0.000 0.249 227 V C 2.483 178.573 176.094 -0.007 0.000 1.057 227 V CA 2.082 64.411 62.300 0.049 0.000 1.032 227 V CB -1.003 30.855 31.823 0.059 0.000 0.645 227 V HN 0.495 nan 8.190 nan 0.000 0.447 228 A N -0.420 122.366 122.820 -0.058 0.000 1.877 228 A HA -0.171 4.149 4.320 0.000 0.000 0.216 228 A C 2.230 179.753 177.584 -0.101 0.000 1.186 228 A CA 1.984 53.981 52.037 -0.067 0.000 0.620 228 A CB -0.580 18.367 19.000 -0.087 0.000 0.822 228 A HN 0.503 nan 8.150 nan 0.000 0.443 229 L N -0.563 120.525 121.223 -0.225 0.000 2.046 229 L HA -0.175 4.165 4.340 0.000 0.000 0.208 229 L C 2.653 179.502 176.870 -0.034 0.000 1.077 229 L CA 1.306 55.950 54.840 -0.327 0.000 0.747 229 L CB -0.529 40.973 42.059 -0.929 0.000 0.896 229 L HN 0.381 nan 8.230 nan 0.000 0.432 230 E N 0.131 120.367 120.200 0.060 0.000 2.106 230 E HA -0.185 4.165 4.350 0.000 0.000 0.192 230 E C 2.235 178.892 176.600 0.094 0.000 0.984 230 E CA 1.317 57.814 56.400 0.163 0.000 0.806 230 E CB -0.122 29.657 29.700 0.132 0.000 0.750 230 E HN 0.502 nan 8.360 nan 0.000 0.458 231 A N 1.516 124.366 122.820 0.050 0.000 1.854 231 A HA -0.124 4.196 4.320 0.000 0.000 0.214 231 A C 2.576 180.188 177.584 0.045 0.000 1.192 231 A CA 1.735 53.797 52.037 0.040 0.000 0.611 231 A CB -0.918 18.100 19.000 0.031 0.000 0.832 231 A HN 0.186 nan 8.150 nan 0.000 0.442 232 V N -2.344 117.593 119.914 0.039 0.000 2.688 232 V HA -0.185 3.935 4.120 0.000 0.000 0.256 232 V C 2.117 178.247 176.094 0.060 0.000 1.084 232 V CA 1.872 64.198 62.300 0.045 0.000 1.103 232 V CB -0.973 30.869 31.823 0.032 0.000 0.688 232 V HN 0.261 nan 8.190 nan 0.000 0.480 233 L N 0.225 121.498 121.223 0.083 0.000 2.395 233 L HA 0.126 4.466 4.340 0.000 0.000 0.218 233 L C 2.262 179.169 176.870 0.061 0.000 1.130 233 L CA 1.403 56.298 54.840 0.091 0.000 0.826 233 L CB -0.641 41.501 42.059 0.139 0.000 0.941 233 L HN 0.425 nan 8.230 nan 0.000 0.451 234 E N -1.664 118.567 120.200 0.052 0.000 2.419 234 E HA 0.169 4.519 4.350 0.000 0.000 0.190 234 E C -0.238 176.380 176.600 0.030 0.000 1.040 234 E CA -0.099 56.322 56.400 0.035 0.000 0.900 234 E CB 0.764 30.482 29.700 0.029 0.000 1.054 234 E HN 0.130 nan 8.360 nan 0.000 0.462 235 V N 0.000 119.935 119.914 0.035 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.319 62.300 0.032 0.000 1.235 235 V CB 0.000 31.844 31.823 0.035 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556