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 1odj_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 0.000 174.560 174.600 -0.066 0.000 1.055 2 S CA 0.000 58.111 58.200 -0.148 0.000 1.107 2 S CB 0.000 63.118 63.200 -0.137 0.000 0.593 3 P HA 0.179 nan 4.420 nan 0.000 0.268 3 P C 0.916 178.254 177.300 0.063 0.000 1.189 3 P CA -0.150 62.970 63.100 0.033 0.000 0.771 3 P CB 0.334 32.063 31.700 0.048 0.000 0.822 4 I N 0.641 121.288 120.570 0.129 0.000 2.761 4 I HA -0.182 3.988 4.170 0.000 0.000 0.261 4 I C 1.129 177.214 176.117 -0.052 0.000 1.198 4 I CA 1.252 62.588 61.300 0.060 0.000 1.482 4 I CB -0.398 37.654 38.000 0.087 0.000 1.100 4 I HN 0.489 nan 8.210 nan 0.000 0.445 5 H N -1.107 118.024 119.070 0.101 0.000 2.381 5 H HA 0.250 4.806 4.556 0.000 0.000 0.252 5 H C 0.648 176.066 175.328 0.149 0.000 0.920 5 H CA 0.112 56.219 56.048 0.098 0.000 1.100 5 H CB 0.309 30.077 29.762 0.011 0.000 1.435 5 H HN -0.119 nan 8.280 nan 0.000 0.454 6 V N 3.604 123.666 119.914 0.246 0.000 2.125 6 V HA 0.126 4.246 4.120 0.000 0.000 0.263 6 V C 0.142 176.326 176.094 0.150 0.000 1.365 6 V CA -0.159 62.262 62.300 0.201 0.000 1.276 6 V CB -0.604 31.326 31.823 0.179 0.000 1.350 6 V HN 0.305 nan 8.190 nan 0.000 0.487 7 R N 2.556 123.145 120.500 0.148 0.000 3.541 7 R HA 0.145 4.485 4.340 0.000 0.000 0.198 7 R C 0.586 176.859 176.300 -0.044 0.000 1.537 7 R CA 0.386 56.491 56.100 0.009 0.000 1.042 7 R CB -0.302 29.976 30.300 -0.036 0.000 1.183 7 R HN 0.708 nan 8.270 nan 0.000 0.584 8 A N 1.344 124.091 122.820 -0.122 0.000 2.548 8 A HA 0.703 5.023 4.320 0.000 0.000 0.262 8 A C -0.774 176.553 177.584 -0.428 0.000 1.271 8 A CA -0.686 51.256 52.037 -0.159 0.000 0.839 8 A CB 1.334 20.263 19.000 -0.118 0.000 1.381 8 A HN 0.485 nan 8.150 nan 0.000 0.468 9 H N -0.712 118.316 119.070 -0.070 0.000 3.012 9 H HA 0.408 4.964 4.556 0.000 0.000 0.367 9 H C -2.793 172.481 175.328 -0.089 0.000 1.211 9 H CA -1.339 54.676 56.048 -0.055 0.000 1.139 9 H CB 1.833 31.576 29.762 -0.032 0.000 1.838 9 H HN 0.487 nan 8.280 nan 0.000 0.550 10 P HA 0.008 nan 4.420 nan 0.000 0.266 10 P C 0.857 178.157 177.300 -0.001 0.000 1.195 10 P CA 1.417 64.523 63.100 0.010 0.000 0.768 10 P CB 0.782 32.495 31.700 0.023 0.000 0.838 11 G N 2.929 111.711 108.800 -0.029 0.000 2.313 11 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 11 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 11 G C 0.866 175.740 174.900 -0.043 0.000 1.023 11 G CA 0.233 45.320 45.100 -0.022 0.000 0.626 11 G HN 0.471 nan 8.290 nan 0.000 0.503 12 D N 0.346 120.685 120.400 -0.101 0.000 2.123 12 D HA 0.100 4.740 4.640 0.000 0.000 0.200 12 D C 1.256 177.373 176.300 -0.304 0.000 0.976 12 D CA 1.292 55.174 54.000 -0.198 0.000 0.831 12 D CB 0.225 40.812 40.800 -0.354 0.000 0.974 12 D HN 0.352 nan 8.370 nan 0.000 0.469 13 V N 1.452 121.174 119.914 -0.321 0.000 2.407 13 V HA 0.459 4.579 4.120 0.000 0.000 0.278 13 V C 0.326 176.387 176.094 -0.055 0.000 1.037 13 V CA -0.889 61.285 62.300 -0.210 0.000 0.900 13 V CB 1.306 33.001 31.823 -0.214 0.000 0.983 13 V HN 0.055 nan 8.190 nan 0.000 0.459 14 A N 3.268 126.096 122.820 0.014 0.000 2.327 14 A HA 0.424 4.744 4.320 0.000 0.000 0.283 14 A C 1.119 178.723 177.584 0.033 0.000 1.127 14 A CA -0.339 51.717 52.037 0.032 0.000 0.810 14 A CB 0.217 19.253 19.000 0.061 0.000 1.066 14 A HN 0.962 nan 8.150 nan 0.000 0.492 15 E N 0.908 121.125 120.200 0.028 0.000 2.095 15 E HA -0.245 4.105 4.350 0.000 0.000 0.212 15 E C 0.157 176.779 176.600 0.036 0.000 1.044 15 E CA 1.622 58.039 56.400 0.028 0.000 0.857 15 E CB -0.125 29.591 29.700 0.027 0.000 0.764 15 E HN 0.656 nan 8.360 nan 0.000 0.462 16 R N 0.590 121.115 120.500 0.043 0.000 2.265 16 R HA 0.295 4.635 4.340 0.000 0.000 0.314 16 R C -0.876 175.453 176.300 0.049 0.000 1.053 16 R CA -0.296 55.830 56.100 0.043 0.000 0.931 16 R CB 1.380 31.706 30.300 0.044 0.000 1.024 16 R HN -0.105 nan 8.270 nan 0.000 0.457 17 V N 4.552 124.494 119.914 0.047 0.000 2.789 17 V HA 0.414 4.534 4.120 0.000 0.000 0.311 17 V C -0.267 175.854 176.094 0.044 0.000 1.073 17 V CA -0.944 61.391 62.300 0.059 0.000 0.921 17 V CB 2.206 34.075 31.823 0.076 0.000 1.009 17 V HN 0.592 nan 8.190 nan 0.000 0.426 18 L N 4.423 125.672 121.223 0.043 0.000 2.325 18 L HA 0.627 4.967 4.340 0.000 0.000 0.278 18 L C -0.933 175.971 176.870 0.056 0.000 1.023 18 L CA -0.652 54.203 54.840 0.025 0.000 0.811 18 L CB 1.828 43.878 42.059 -0.015 0.000 1.249 18 L HN 0.454 nan 8.230 nan 0.000 0.431 19 L N 5.060 126.310 121.223 0.046 0.000 2.401 19 L HA 0.443 4.783 4.340 0.000 0.000 0.263 19 L C -2.431 174.463 176.870 0.040 0.000 1.004 19 L CA -1.548 53.324 54.840 0.052 0.000 0.881 19 L CB 1.650 43.734 42.059 0.042 0.000 1.219 19 L HN 0.305 nan 8.230 nan 0.000 0.441 20 P HA 0.234 nan 4.420 nan 0.000 0.283 20 P C 0.383 177.697 177.300 0.023 0.000 1.271 20 P CA -0.370 62.756 63.100 0.043 0.000 0.841 20 P CB 2.313 34.058 31.700 0.075 0.000 1.122 21 G N 0.788 109.587 108.800 -0.002 0.000 2.395 21 G HA2 -0.083 3.877 3.960 0.000 0.000 0.214 21 G HA3 -0.083 3.877 3.960 0.000 0.000 0.214 21 G C 0.121 174.996 174.900 -0.042 0.000 1.177 21 G CA 0.566 45.651 45.100 -0.025 0.000 0.794 21 G HN 0.629 nan 8.290 nan 0.000 0.532 22 D N -0.042 120.330 120.400 -0.046 0.000 2.233 22 D HA 0.339 4.979 4.640 0.000 0.000 0.240 22 D C -0.938 175.324 176.300 -0.064 0.000 1.074 22 D CA -2.213 51.737 54.000 -0.083 0.000 0.838 22 D CB 2.263 43.005 40.800 -0.096 0.000 1.124 22 D HN -0.047 nan 8.370 nan 0.000 0.475 23 P HA -0.181 nan 4.420 nan 0.000 0.216 23 P C 1.467 178.782 177.300 0.025 0.000 1.154 23 P CA 1.514 64.543 63.100 -0.118 0.000 0.865 23 P CB -0.042 31.274 31.700 -0.640 0.000 0.789 24 G N 0.425 109.169 108.800 -0.092 0.000 2.505 24 G HA2 -0.309 3.651 3.960 0.000 0.000 0.220 24 G HA3 -0.309 3.651 3.960 0.000 0.000 0.220 24 G C 1.893 176.874 174.900 0.134 0.000 1.145 24 G CA 0.976 46.097 45.100 0.036 0.000 0.761 24 G HN 0.297 nan 8.290 nan 0.000 0.571 25 R N 0.517 121.073 120.500 0.092 0.000 2.148 25 R HA 0.159 4.499 4.340 0.000 0.000 0.223 25 R C 2.839 179.298 176.300 0.266 0.000 1.088 25 R CA 1.177 57.370 56.100 0.155 0.000 0.985 25 R CB -0.286 30.058 30.300 0.073 0.000 0.880 25 R HN 0.313 nan 8.270 nan 0.000 0.451 26 A N 1.150 124.108 122.820 0.230 0.000 1.845 26 A HA -0.230 4.090 4.320 0.000 0.000 0.215 26 A C 1.968 179.615 177.584 0.105 0.000 1.195 26 A CA 1.643 53.827 52.037 0.246 0.000 0.616 26 A CB -0.757 18.487 19.000 0.407 0.000 0.832 26 A HN 0.525 nan 8.150 nan 0.000 0.443 27 E N -1.417 118.889 120.200 0.177 0.000 2.086 27 E HA -0.314 4.036 4.350 0.000 0.000 0.205 27 E C 1.731 178.302 176.600 -0.049 0.000 1.027 27 E CA 1.877 58.226 56.400 -0.085 0.000 0.830 27 E CB -0.337 29.557 29.700 0.323 0.000 0.751 27 E HN 0.733 nan 8.360 nan 0.000 0.456 28 W N 1.265 122.543 121.300 -0.036 0.000 2.298 28 W HA -0.287 4.373 4.660 0.000 0.000 0.328 28 W C 1.962 178.470 176.519 -0.019 0.000 1.259 28 W CA 2.487 59.819 57.345 -0.021 0.000 1.251 28 W CB -0.740 28.731 29.460 0.018 0.000 1.161 28 W HN 0.113 nan 8.180 nan 0.000 0.466 29 I N 0.585 121.173 120.570 0.030 0.000 2.118 29 I HA -0.397 3.773 4.170 0.000 0.000 0.241 29 I C 2.636 178.668 176.117 -0.141 0.000 1.070 29 I CA 1.879 63.127 61.300 -0.087 0.000 1.327 29 I CB -1.473 36.564 38.000 0.063 0.000 1.034 29 I HN 0.180 nan 8.210 nan 0.000 0.405 30 A N 1.220 123.901 122.820 -0.231 0.000 1.842 30 A HA -0.278 4.042 4.320 0.000 0.000 0.217 30 A C 2.332 179.777 177.584 -0.232 0.000 1.206 30 A CA 2.211 54.067 52.037 -0.301 0.000 0.630 30 A CB -0.726 17.793 19.000 -0.802 0.000 0.839 30 A HN 0.362 nan 8.150 nan 0.000 0.447 31 K N -1.120 119.116 120.400 -0.273 0.000 2.103 31 K HA -0.111 4.209 4.320 0.000 0.000 0.207 31 K C 2.143 178.600 176.600 -0.238 0.000 1.048 31 K CA 1.790 57.959 56.287 -0.196 0.000 0.930 31 K CB -0.437 31.976 32.500 -0.145 0.000 0.716 31 K HN 0.551 nan 8.250 nan 0.000 0.444 32 T N 0.410 114.729 114.554 -0.392 0.000 2.732 32 T HA -0.042 4.308 4.350 0.000 0.000 0.261 32 T C 1.522 175.886 174.700 -0.559 0.000 1.040 32 T CA 1.236 62.971 62.100 -0.608 0.000 1.145 32 T CB -0.173 67.989 68.868 -1.176 0.000 0.866 32 T HN 0.107 nan 8.240 nan 0.000 0.427 33 F N 0.430 120.213 119.950 -0.279 0.000 2.656 33 F HA 0.409 4.936 4.527 0.000 0.000 0.291 33 F C 0.670 176.486 175.800 0.026 0.000 1.122 33 F CA -0.143 57.793 58.000 -0.106 0.000 1.427 33 F CB 0.124 39.030 39.000 -0.156 0.000 1.125 33 F HN -0.042 nan 8.300 nan 0.000 0.583 34 L N 1.641 122.940 121.223 0.126 0.000 2.325 34 L HA 0.340 4.680 4.340 0.000 0.000 0.279 34 L C -0.300 176.599 176.870 0.050 0.000 1.054 34 L CA -0.909 53.999 54.840 0.113 0.000 0.804 34 L CB 0.893 42.997 42.059 0.076 0.000 1.200 34 L HN -0.061 nan 8.230 nan 0.000 0.436 35 Q N 2.098 121.933 119.800 0.059 0.000 2.235 35 Q HA 0.219 4.559 4.340 0.000 0.000 0.250 35 Q C -0.200 175.820 176.000 0.033 0.000 0.909 35 Q CA -0.427 55.393 55.803 0.028 0.000 0.910 35 Q CB 1.014 29.765 28.738 0.021 0.000 1.223 35 Q HN 0.593 nan 8.270 nan 0.000 0.432 36 N N 0.276 118.988 118.700 0.021 0.000 2.705 36 N HA -0.166 4.574 4.740 0.000 0.000 0.255 36 N C -2.441 173.098 175.510 0.049 0.000 1.008 36 N CA -0.316 52.751 53.050 0.029 0.000 0.742 36 N CB -1.154 37.351 38.487 0.031 0.000 0.906 36 N HN 0.334 nan 8.380 nan 0.000 0.541 37 P HA 0.052 nan 4.420 nan 0.000 0.268 37 P C -0.282 177.085 177.300 0.112 0.000 1.204 37 P CA 0.328 63.475 63.100 0.079 0.000 0.768 37 P CB 0.662 32.376 31.700 0.023 0.000 0.842 38 R N 2.831 123.426 120.500 0.158 0.000 2.468 38 R HA 0.274 4.614 4.340 0.000 0.000 0.302 38 R C -0.355 176.005 176.300 0.101 0.000 1.041 38 R CA -0.734 55.444 56.100 0.130 0.000 0.899 38 R CB 0.641 31.014 30.300 0.121 0.000 1.167 38 R HN 0.349 nan 8.270 nan 0.000 0.483 39 R N 4.053 124.545 120.500 -0.013 0.000 2.387 39 R HA -0.024 4.316 4.340 0.000 0.000 0.321 39 R C 0.193 176.299 176.300 -0.324 0.000 1.174 39 R CA 0.127 55.979 56.100 -0.413 0.000 1.002 39 R CB 0.210 30.174 30.300 -0.559 0.000 1.028 39 R HN 0.626 nan 8.270 nan 0.000 0.482 40 Y N 1.437 121.668 120.300 -0.115 0.000 2.529 40 Y HA 0.265 4.815 4.550 0.000 0.000 0.290 40 Y C -0.295 175.562 175.900 -0.072 0.000 1.177 40 Y CA -0.868 57.197 58.100 -0.059 0.000 1.305 40 Y CB 0.022 38.476 38.460 -0.009 0.000 1.047 40 Y HN 0.414 nan 8.280 nan 0.000 0.522 41 N N 0.218 118.691 118.700 -0.379 0.000 2.446 41 N HA 0.216 4.956 4.740 0.000 0.000 0.272 41 N C -1.405 173.980 175.510 -0.207 0.000 1.127 41 N CA -0.097 52.864 53.050 -0.147 0.000 0.896 41 N CB 1.411 39.940 38.487 0.070 0.000 1.658 41 N HN 0.167 nan 8.380 nan 0.000 0.483 42 D N -0.181 120.202 120.400 -0.030 0.000 2.530 42 D HA 0.049 4.689 4.640 0.000 0.000 0.253 42 D C -0.463 175.989 176.300 0.254 0.000 1.338 42 D CA -0.152 53.910 54.000 0.103 0.000 0.806 42 D CB -0.909 39.817 40.800 -0.123 0.000 1.160 42 D HN 0.628 nan 8.370 nan 0.000 0.514 43 H N 2.184 121.302 119.070 0.081 0.000 3.004 43 H HA 0.148 4.704 4.556 0.000 0.000 0.316 43 H C 0.315 175.695 175.328 0.088 0.000 1.014 43 H CA 0.330 56.420 56.048 0.070 0.000 1.454 43 H CB 0.362 30.148 29.762 0.041 0.000 1.472 43 H HN -0.004 nan 8.280 nan 0.000 0.571 44 R N 2.802 123.267 120.500 -0.058 0.000 3.875 44 R HA -0.212 4.128 4.340 0.000 0.000 0.321 44 R C 1.046 177.325 176.300 -0.035 0.000 1.196 44 R CA 0.691 56.710 56.100 -0.135 0.000 0.868 44 R CB -1.840 28.289 30.300 -0.284 0.000 1.333 44 R HN 1.119 nan 8.270 nan 0.000 0.522 45 G N 0.022 108.858 108.800 0.060 0.000 2.184 45 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 45 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 45 G C 0.262 175.110 174.900 -0.086 0.000 0.975 45 G CA 0.379 45.450 45.100 -0.048 0.000 0.642 45 G HN 0.297 nan 8.290 nan 0.000 0.536 46 L N 0.782 122.045 121.223 0.066 0.000 2.533 46 L HA 0.226 4.566 4.340 0.000 0.000 0.239 46 L C 0.544 177.517 176.870 0.172 0.000 1.376 46 L CA -0.988 53.897 54.840 0.074 0.000 1.240 46 L CB -0.517 41.584 42.059 0.069 0.000 1.487 46 L HN 0.145 nan 8.230 nan 0.000 0.419 47 W N 1.756 122.990 121.300 -0.110 0.000 2.611 47 W HA 0.162 4.822 4.660 0.000 0.000 0.346 47 W C 0.970 177.249 176.519 -0.400 0.000 1.365 47 W CA -0.599 56.577 57.345 -0.282 0.000 1.313 47 W CB -0.257 29.106 29.460 -0.162 0.000 1.351 47 W HN 0.241 nan 8.180 nan 0.000 0.576 48 G N 4.192 112.676 108.800 -0.527 0.000 2.605 48 G HA2 0.561 4.521 3.960 0.000 0.000 0.304 48 G HA3 0.561 4.521 3.960 0.000 0.000 0.304 48 G C -1.373 172.754 174.900 -1.289 0.000 1.333 48 G CA -0.517 44.172 45.100 -0.686 0.000 0.973 48 G HN 0.270 nan 8.290 nan 0.000 0.507 49 Y N 0.823 120.906 120.300 -0.362 0.000 2.612 49 Y HA 0.835 5.386 4.550 0.000 0.000 0.334 49 Y C 0.905 176.886 175.900 0.135 0.000 1.227 49 Y CA -0.877 57.117 58.100 -0.177 0.000 1.356 49 Y CB 1.792 40.222 38.460 -0.051 0.000 1.534 49 Y HN 0.440 nan 8.280 nan 0.000 0.576 50 T N -0.712 114.052 114.554 0.350 0.000 2.957 50 T HA 0.638 4.988 4.350 0.000 0.000 0.336 50 T C -0.611 174.205 174.700 0.192 0.000 1.462 50 T CA -0.526 61.747 62.100 0.289 0.000 1.073 50 T CB 1.803 70.860 68.868 0.315 0.000 1.319 50 T HN 1.124 nan 8.240 nan 0.000 0.485 51 G N 0.661 109.551 108.800 0.149 0.000 2.340 51 G HA2 0.547 4.507 3.960 0.000 0.000 0.299 51 G HA3 0.547 4.507 3.960 0.000 0.000 0.299 51 G C -2.293 172.673 174.900 0.110 0.000 1.291 51 G CA -0.879 44.289 45.100 0.114 0.000 0.841 51 G HN 0.744 nan 8.290 nan 0.000 0.500 52 L N 0.550 121.832 121.223 0.098 0.000 2.295 52 L HA 0.576 4.916 4.340 0.000 0.000 0.285 52 L C -1.160 175.798 176.870 0.146 0.000 1.035 52 L CA -0.926 53.973 54.840 0.099 0.000 0.806 52 L CB 1.728 43.818 42.059 0.053 0.000 1.214 52 L HN 0.610 nan 8.230 nan 0.000 0.426 53 Y N 3.687 124.005 120.300 0.030 0.000 2.326 53 Y HA 0.243 4.793 4.550 0.000 0.000 0.329 53 Y C 0.343 176.258 175.900 0.024 0.000 0.973 53 Y CA -1.358 56.761 58.100 0.032 0.000 1.162 53 Y CB 0.944 39.418 38.460 0.023 0.000 1.147 53 Y HN 0.568 nan 8.280 nan 0.000 0.456 54 K N 4.674 124.733 120.400 -0.568 0.000 2.975 54 K HA -0.258 4.062 4.320 0.000 0.000 0.257 54 K C 0.867 177.354 176.600 -0.189 0.000 1.005 54 K CA 1.159 57.182 56.287 -0.440 0.000 0.738 54 K CB -1.556 30.564 32.500 -0.633 0.000 1.236 54 K HN 1.360 nan 8.250 nan 0.000 0.483 55 G N -1.609 107.130 108.800 -0.101 0.000 2.157 55 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 55 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 55 G C -0.052 174.846 174.900 -0.003 0.000 0.979 55 G CA 0.016 45.092 45.100 -0.040 0.000 0.650 55 G HN 0.243 nan 8.290 nan 0.000 0.529 56 V N 2.318 122.247 119.914 0.025 0.000 2.531 56 V HA 0.515 4.635 4.120 0.000 0.000 0.301 56 V C -1.928 174.222 176.094 0.093 0.000 1.034 56 V CA -1.705 60.631 62.300 0.059 0.000 0.865 56 V CB 2.388 34.255 31.823 0.073 0.000 0.995 56 V HN 0.162 nan 8.190 nan 0.000 0.424 57 P HA 0.065 nan 4.420 nan 0.000 0.258 57 P C -0.688 176.669 177.300 0.095 0.000 1.187 57 P CA 0.543 63.693 63.100 0.083 0.000 0.767 57 P CB 0.892 32.629 31.700 0.062 0.000 0.770 58 V N 3.472 123.455 119.914 0.114 0.000 2.864 58 V HA 0.468 4.588 4.120 0.000 0.000 0.314 58 V C 0.365 176.528 176.094 0.116 0.000 1.073 58 V CA -0.404 61.956 62.300 0.100 0.000 0.956 58 V CB 2.302 34.178 31.823 0.089 0.000 1.023 58 V HN 0.496 nan 8.190 nan 0.000 0.435 59 S N 1.212 116.981 115.700 0.116 0.000 2.638 59 S HA 0.824 5.294 4.470 0.000 0.000 0.302 59 S C -1.020 173.678 174.600 0.163 0.000 1.096 59 S CA -0.596 57.712 58.200 0.180 0.000 0.953 59 S CB 2.132 65.459 63.200 0.212 0.000 1.107 59 S HN 0.482 nan 8.310 nan 0.000 0.503 60 V N 2.526 122.580 119.914 0.233 0.000 2.447 60 V HA 0.534 4.654 4.120 0.000 0.000 0.292 60 V C -0.803 175.450 176.094 0.265 0.000 1.021 60 V CA -0.602 61.831 62.300 0.221 0.000 0.850 60 V CB 1.387 33.347 31.823 0.228 0.000 1.005 60 V HN 0.746 nan 8.190 nan 0.000 0.426 61 Q N 2.580 122.501 119.800 0.201 0.000 2.353 61 Q HA 0.603 4.943 4.340 0.000 0.000 0.268 61 Q C -0.406 175.678 176.000 0.139 0.000 1.045 61 Q CA -0.228 55.684 55.803 0.181 0.000 0.811 61 Q CB 2.180 31.030 28.738 0.186 0.000 1.305 61 Q HN 0.774 nan 8.270 nan 0.000 0.447 62 T N 2.532 117.160 114.554 0.123 0.000 2.832 62 T HA 0.276 4.626 4.350 0.000 0.000 0.296 62 T C 0.947 175.675 174.700 0.046 0.000 0.968 62 T CA 0.318 62.465 62.100 0.078 0.000 1.107 62 T CB 0.921 69.821 68.868 0.054 0.000 0.916 62 T HN 0.794 nan 8.240 nan 0.000 0.517 63 T N -0.063 114.502 114.554 0.018 0.000 3.034 63 T HA 0.508 4.858 4.350 0.000 0.000 0.248 63 T C 1.155 175.842 174.700 -0.021 0.000 1.040 63 T CA 0.387 62.488 62.100 0.001 0.000 1.107 63 T CB -0.255 68.608 68.868 -0.007 0.000 0.932 63 T HN 1.185 nan 8.240 nan 0.000 0.474 64 G N 1.322 110.101 108.800 -0.035 0.000 2.631 64 G HA2 -0.026 3.934 3.960 0.000 0.000 0.504 64 G HA3 -0.026 3.934 3.960 0.000 0.000 0.504 64 G C -0.730 174.138 174.900 -0.054 0.000 1.306 64 G CA -0.491 44.577 45.100 -0.054 0.000 0.897 64 G HN 0.558 nan 8.290 nan 0.000 0.520 65 M N 0.839 120.403 119.600 -0.060 0.000 2.367 65 M HA 0.567 5.047 4.480 0.000 0.000 0.339 65 M C 0.800 177.077 176.300 -0.039 0.000 1.177 65 M CA 0.748 56.013 55.300 -0.057 0.000 1.068 65 M CB 1.386 33.937 32.600 -0.082 0.000 1.602 65 M HN 2.595 nan 8.290 nan 0.000 0.457 66 G N 0.920 109.703 108.800 -0.028 0.000 2.716 66 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 66 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 66 G C 0.374 175.259 174.900 -0.025 0.000 1.337 66 G CA -0.199 44.891 45.100 -0.016 0.000 0.829 66 G HN 0.946 nan 8.290 nan 0.000 0.599 67 T N -1.241 113.299 114.554 -0.024 0.000 2.929 67 T HA 0.020 4.370 4.350 0.000 0.000 0.271 67 T C 0.137 174.831 174.700 -0.010 0.000 1.085 67 T CA 1.931 64.013 62.100 -0.030 0.000 1.125 67 T CB -0.542 68.306 68.868 -0.033 0.000 0.874 67 T HN 0.418 nan 8.240 nan 0.000 0.494 68 P HA -0.037 nan 4.420 nan 0.000 0.215 68 P C 2.077 179.367 177.300 -0.017 0.000 1.157 68 P CA 1.065 64.169 63.100 0.006 0.000 0.863 68 P CB -0.217 31.485 31.700 0.003 0.000 0.787 69 S N -1.002 114.681 115.700 -0.028 0.000 2.371 69 S HA -0.073 4.397 4.470 0.000 0.000 0.224 69 S C 1.984 176.559 174.600 -0.041 0.000 1.029 69 S CA 1.145 59.320 58.200 -0.042 0.000 0.978 69 S CB -1.048 62.129 63.200 -0.038 0.000 0.833 69 S HN 0.028 nan 8.310 nan 0.000 0.466 70 A N 1.253 124.053 122.820 -0.035 0.000 1.972 70 A HA 0.195 4.515 4.320 0.000 0.000 0.219 70 A C 2.367 179.930 177.584 -0.034 0.000 1.169 70 A CA 1.760 53.777 52.037 -0.034 0.000 0.635 70 A CB -1.175 17.799 19.000 -0.044 0.000 0.810 70 A HN 0.689 nan 8.150 nan 0.000 0.446 71 A N 0.238 123.040 122.820 -0.030 0.000 1.858 71 A HA -0.104 4.216 4.320 0.000 0.000 0.216 71 A C 2.119 179.691 177.584 -0.020 0.000 1.190 71 A CA 1.538 53.563 52.037 -0.021 0.000 0.617 71 A CB -0.626 18.404 19.000 0.050 0.000 0.827 71 A HN 0.488 nan 8.150 nan 0.000 0.443 72 I N -0.356 120.185 120.570 -0.050 0.000 2.163 72 I HA -0.248 3.922 4.170 0.000 0.000 0.243 72 I C 2.397 178.476 176.117 -0.063 0.000 1.085 72 I CA 1.396 62.630 61.300 -0.110 0.000 1.347 72 I CB -0.451 37.379 38.000 -0.284 0.000 1.044 72 I HN 0.166 nan 8.210 nan 0.000 0.408 73 V N 0.517 120.408 119.914 -0.039 0.000 2.287 73 V HA -0.253 3.867 4.120 0.000 0.000 0.248 73 V C 2.414 178.519 176.094 0.018 0.000 1.053 73 V CA 1.722 64.027 62.300 0.007 0.000 1.027 73 V CB -0.486 31.348 31.823 0.018 0.000 0.646 73 V HN 0.255 nan 8.190 nan 0.000 0.447 74 V N -0.542 119.374 119.914 0.003 0.000 2.515 74 V HA -0.168 3.952 4.120 0.000 0.000 0.250 74 V C 2.542 178.637 176.094 0.003 0.000 1.058 74 V CA 1.588 63.891 62.300 0.005 0.000 1.064 74 V CB -0.585 31.231 31.823 -0.012 0.000 0.675 74 V HN 0.541 nan 8.190 nan 0.000 0.461 75 E N 0.151 120.349 120.200 -0.002 0.000 2.106 75 E HA -0.177 4.173 4.350 0.000 0.000 0.192 75 E C 2.212 178.824 176.600 0.020 0.000 0.984 75 E CA 1.132 57.538 56.400 0.010 0.000 0.806 75 E CB 0.018 29.736 29.700 0.028 0.000 0.750 75 E HN 0.726 nan 8.360 nan 0.000 0.458 76 E N 0.501 120.715 120.200 0.022 0.000 2.086 76 E HA -0.014 4.336 4.350 0.000 0.000 0.190 76 E C 2.356 178.972 176.600 0.027 0.000 0.975 76 E CA 0.184 56.604 56.400 0.033 0.000 0.813 76 E CB -0.069 29.662 29.700 0.052 0.000 0.768 76 E HN 0.144 nan 8.360 nan 0.000 0.457 77 L N 1.065 122.307 121.223 0.032 0.000 2.189 77 L HA -0.206 4.134 4.340 0.000 0.000 0.214 77 L C 2.374 179.255 176.870 0.017 0.000 1.097 77 L CA 0.747 55.605 54.840 0.029 0.000 0.764 77 L CB -0.332 41.755 42.059 0.046 0.000 0.900 77 L HN 0.070 nan 8.230 nan 0.000 0.436 78 V N -0.874 119.051 119.914 0.017 0.000 2.488 78 V HA -0.148 3.972 4.120 0.000 0.000 0.246 78 V C 2.544 178.646 176.094 0.013 0.000 1.046 78 V CA 1.232 63.541 62.300 0.015 0.000 1.053 78 V CB -0.483 31.348 31.823 0.013 0.000 0.679 78 V HN 0.389 nan 8.190 nan 0.000 0.458 79 R N -0.098 120.411 120.500 0.015 0.000 2.148 79 R HA 0.045 4.385 4.340 0.000 0.000 0.227 79 R C 2.063 178.367 176.300 0.007 0.000 1.103 79 R CA 1.026 57.135 56.100 0.015 0.000 0.983 79 R CB -0.502 29.811 30.300 0.022 0.000 0.874 79 R HN 0.447 nan 8.270 nan 0.000 0.451 80 L N -1.218 120.003 121.223 -0.004 0.000 2.240 80 L HA 0.094 4.434 4.340 0.000 0.000 0.211 80 L C 1.256 178.114 176.870 -0.019 0.000 1.106 80 L CA 1.078 55.904 54.840 -0.023 0.000 0.793 80 L CB -0.031 41.992 42.059 -0.060 0.000 0.927 80 L HN 0.392 nan 8.230 nan 0.000 0.446 81 G N -0.695 108.101 108.800 -0.008 0.000 2.276 81 G HA2 -0.035 3.925 3.960 0.000 0.000 0.177 81 G HA3 -0.035 3.925 3.960 0.000 0.000 0.177 81 G C 0.200 175.102 174.900 0.004 0.000 1.017 81 G CA -0.254 44.845 45.100 -0.002 0.000 0.750 81 G HN 0.336 nan 8.290 nan 0.000 0.506 82 A N 0.104 122.929 122.820 0.008 0.000 2.462 82 A HA 0.762 5.082 4.320 0.000 0.000 0.243 82 A C 1.155 178.751 177.584 0.020 0.000 1.076 82 A CA 1.196 53.244 52.037 0.019 0.000 0.773 82 A CB 0.582 19.598 19.000 0.026 0.000 1.010 82 A HN 0.615 nan 8.150 nan 0.000 0.493 83 R N 0.990 121.504 120.500 0.024 0.000 2.428 83 R HA 0.264 4.604 4.340 0.000 0.000 0.193 83 R C -0.942 175.375 176.300 0.029 0.000 0.852 83 R CA 0.431 56.545 56.100 0.024 0.000 1.055 83 R CB 0.676 30.989 30.300 0.022 0.000 1.343 83 R HN 0.492 nan 8.270 nan 0.000 0.655 84 V N 3.503 123.437 119.914 0.033 0.000 2.276 84 V HA 0.362 4.482 4.120 0.000 0.000 0.268 84 V C -1.296 174.823 176.094 0.042 0.000 1.032 84 V CA -0.618 61.704 62.300 0.037 0.000 0.810 84 V CB 1.216 33.060 31.823 0.034 0.000 1.060 84 V HN 0.088 nan 8.190 nan 0.000 0.446 85 L N 5.276 126.528 121.223 0.049 0.000 2.262 85 L HA 0.553 4.893 4.340 0.000 0.000 0.288 85 L C -0.080 176.833 176.870 0.070 0.000 1.035 85 L CA -0.003 54.871 54.840 0.056 0.000 0.820 85 L CB 1.506 43.599 42.059 0.056 0.000 1.204 85 L HN 0.267 nan 8.230 nan 0.000 0.424 86 V N 3.731 123.681 119.914 0.059 0.000 2.459 86 V HA 0.489 4.609 4.120 0.000 0.000 0.295 86 V C 0.227 176.353 176.094 0.053 0.000 1.029 86 V CA -0.812 61.529 62.300 0.068 0.000 0.874 86 V CB 1.934 33.783 31.823 0.043 0.000 0.985 86 V HN 0.740 nan 8.190 nan 0.000 0.438 87 R N 3.994 124.533 120.500 0.064 0.000 2.308 87 R HA 0.583 4.923 4.340 0.000 0.000 0.305 87 R C -0.945 175.367 176.300 0.020 0.000 1.053 87 R CA -0.374 55.744 56.100 0.030 0.000 0.957 87 R CB 1.334 31.634 30.300 0.001 0.000 1.022 87 R HN 0.587 nan 8.270 nan 0.000 0.461 88 V N 2.510 122.430 119.914 0.010 0.000 2.266 88 V HA 0.649 4.769 4.120 0.000 0.000 0.271 88 V C 0.282 176.378 176.094 0.004 0.000 1.032 88 V CA -0.487 61.815 62.300 0.003 0.000 0.806 88 V CB 0.679 32.500 31.823 -0.003 0.000 1.052 88 V HN 0.896 nan 8.190 nan 0.000 0.449 89 G N 2.920 111.717 108.800 -0.006 0.000 3.251 89 G HA2 0.870 4.830 3.960 0.000 0.000 0.248 89 G HA3 0.870 4.830 3.960 0.000 0.000 0.248 89 G C -0.424 174.468 174.900 -0.014 0.000 1.320 89 G CA -0.143 44.950 45.100 -0.012 0.000 0.982 89 G HN 0.779 nan 8.290 nan 0.000 0.575 90 T N -2.823 111.722 114.554 -0.015 0.000 2.907 90 T HA 0.825 5.175 4.350 0.000 0.000 0.292 90 T C -0.386 174.316 174.700 0.004 0.000 1.043 90 T CA -0.196 61.899 62.100 -0.009 0.000 1.003 90 T CB 1.918 70.778 68.868 -0.013 0.000 1.084 90 T HN 1.697 nan 8.240 nan 0.000 0.483 91 A N 0.439 123.267 122.820 0.013 0.000 2.594 91 A HA 0.920 5.240 4.320 0.000 0.000 0.291 91 A C -0.171 177.437 177.584 0.040 0.000 1.105 91 A CA -0.695 51.359 52.037 0.029 0.000 0.694 91 A CB 1.254 20.258 19.000 0.007 0.000 1.291 91 A HN 1.377 nan 8.150 nan 0.000 0.410 92 G N 0.419 109.254 108.800 0.059 0.000 2.347 92 G HA2 0.663 4.623 3.960 0.000 0.000 0.314 92 G HA3 0.663 4.623 3.960 0.000 0.000 0.314 92 G C 0.276 175.229 174.900 0.088 0.000 1.126 92 G CA 0.372 45.496 45.100 0.039 0.000 0.929 92 G HN 1.600 nan 8.290 nan 0.000 0.441 93 A N 1.865 124.721 122.820 0.059 0.000 2.531 93 A HA 0.514 4.834 4.320 0.000 0.000 0.236 93 A C 1.480 179.139 177.584 0.125 0.000 1.062 93 A CA 0.616 52.699 52.037 0.077 0.000 0.760 93 A CB 0.629 19.654 19.000 0.042 0.000 0.995 93 A HN 1.579 nan 8.150 nan 0.000 0.501 94 A N 1.948 124.880 122.820 0.188 0.000 2.140 94 A HA 0.402 4.722 4.320 0.000 0.000 0.209 94 A C 1.209 178.885 177.584 0.154 0.000 1.181 94 A CA 0.884 53.083 52.037 0.270 0.000 0.824 94 A CB -0.158 19.149 19.000 0.512 0.000 0.879 94 A HN 0.761 nan 8.150 nan 0.000 0.480 95 S N 0.059 115.819 115.700 0.101 0.000 2.713 95 S HA 0.382 4.852 4.470 0.000 0.000 0.283 95 S C 0.969 175.594 174.600 0.042 0.000 1.161 95 S CA 0.067 58.306 58.200 0.065 0.000 0.999 95 S CB 1.499 64.726 63.200 0.046 0.000 1.039 95 S HN 0.549 nan 8.310 nan 0.000 0.548 96 S N -0.424 115.293 115.700 0.029 0.000 2.557 96 S HA 0.041 4.511 4.470 0.000 0.000 0.223 96 S C 0.595 175.205 174.600 0.015 0.000 0.969 96 S CA 0.028 58.240 58.200 0.019 0.000 0.927 96 S CB -0.295 62.913 63.200 0.014 0.000 0.806 96 S HN 0.774 nan 8.310 nan 0.000 0.489 97 D N 1.145 121.555 120.400 0.016 0.000 2.388 97 D HA 0.109 4.749 4.640 0.000 0.000 0.208 97 D C 0.491 176.798 176.300 0.012 0.000 1.035 97 D CA -0.219 53.788 54.000 0.012 0.000 0.875 97 D CB -0.403 40.402 40.800 0.009 0.000 0.984 97 D HN 0.383 nan 8.370 nan 0.000 0.508 98 L N 1.419 122.651 121.223 0.015 0.000 2.361 98 L HA 0.444 4.784 4.340 0.000 0.000 0.278 98 L C 0.459 177.338 176.870 0.016 0.000 1.113 98 L CA -0.676 54.173 54.840 0.014 0.000 0.849 98 L CB 1.072 43.140 42.059 0.015 0.000 1.155 98 L HN 0.019 nan 8.230 nan 0.000 0.452 99 A N 6.469 129.299 122.820 0.017 0.000 2.327 99 A HA 0.603 4.923 4.320 0.000 0.000 0.283 99 A C -2.339 175.255 177.584 0.016 0.000 1.127 99 A CA -1.505 50.543 52.037 0.017 0.000 0.810 99 A CB 0.138 19.150 19.000 0.021 0.000 1.066 99 A HN 0.434 nan 8.150 nan 0.000 0.492 100 P HA 0.292 nan 4.420 nan 0.000 0.265 100 P C 0.974 178.280 177.300 0.010 0.000 1.193 100 P CA 1.775 64.880 63.100 0.009 0.000 0.765 100 P CB 0.740 32.444 31.700 0.006 0.000 0.823 101 G N 1.107 109.910 108.800 0.005 0.000 2.175 101 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 101 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 101 G C 0.227 175.136 174.900 0.015 0.000 0.982 101 G CA -0.177 44.925 45.100 0.004 0.000 0.641 101 G HN 0.562 nan 8.290 nan 0.000 0.527 102 E N -0.524 119.689 120.200 0.022 0.000 2.322 102 E HA 0.710 5.060 4.350 0.000 0.000 0.257 102 E C 0.440 177.058 176.600 0.031 0.000 1.155 102 E CA -0.657 55.765 56.400 0.037 0.000 0.936 102 E CB 0.510 30.233 29.700 0.037 0.000 1.130 102 E HN 0.315 nan 8.360 nan 0.000 0.465 103 L N 1.926 123.183 121.223 0.057 0.000 2.330 103 L HA 0.555 4.895 4.340 0.000 0.000 0.271 103 L C -0.462 176.444 176.870 0.060 0.000 1.013 103 L CA -0.756 54.115 54.840 0.053 0.000 0.816 103 L CB 1.405 43.503 42.059 0.065 0.000 1.287 103 L HN 0.435 nan 8.230 nan 0.000 0.435 104 I N 1.956 122.546 120.570 0.033 0.000 2.500 104 I HA 0.257 4.427 4.170 0.000 0.000 0.286 104 I C -0.742 175.386 176.117 0.019 0.000 1.063 104 I CA -0.669 60.639 61.300 0.013 0.000 1.062 104 I CB 2.367 40.362 38.000 -0.008 0.000 1.223 104 I HN 0.183 nan 8.210 nan 0.000 0.435 105 V N 5.944 125.860 119.914 0.003 0.000 2.389 105 V HA 0.265 4.385 4.120 0.000 0.000 0.264 105 V C 0.887 177.037 176.094 0.093 0.000 1.049 105 V CA -0.506 61.802 62.300 0.013 0.000 0.932 105 V CB 1.181 32.931 31.823 -0.121 0.000 1.011 105 V HN 0.831 nan 8.190 nan 0.000 0.475 106 A N 4.384 127.308 122.820 0.173 0.000 2.500 106 A HA 0.070 4.390 4.320 0.000 0.000 0.285 106 A C 1.301 179.060 177.584 0.291 0.000 1.183 106 A CA 0.165 52.345 52.037 0.239 0.000 0.851 106 A CB -0.137 19.067 19.000 0.340 0.000 1.091 106 A HN 0.972 nan 8.150 nan 0.000 0.521 107 Q N 2.551 122.435 119.800 0.141 0.000 2.311 107 Q HA 0.243 4.583 4.340 0.000 0.000 0.203 107 Q C 0.708 176.578 176.000 -0.216 0.000 0.954 107 Q CA 1.101 56.798 55.803 -0.177 0.000 0.885 107 Q CB 0.107 28.745 28.738 -0.168 0.000 0.963 107 Q HN 0.955 nan 8.270 nan 0.000 0.471 108 G N -0.939 107.892 108.800 0.052 0.000 2.466 108 G HA2 0.540 4.500 3.960 0.000 0.000 0.291 108 G HA3 0.540 4.500 3.960 0.000 0.000 0.291 108 G C -2.026 172.972 174.900 0.164 0.000 1.460 108 G CA -0.345 44.848 45.100 0.155 0.000 0.791 108 G HN 0.182 nan 8.290 nan 0.000 0.505 109 A N 0.118 123.011 122.820 0.121 0.000 2.332 109 A HA 0.683 5.003 4.320 0.000 0.000 0.300 109 A C -0.171 177.336 177.584 -0.128 0.000 1.153 109 A CA -0.503 51.476 52.037 -0.097 0.000 0.764 109 A CB 1.485 20.327 19.000 -0.265 0.000 1.174 109 A HN 1.499 nan 8.150 nan 0.000 0.467 110 V N 5.563 125.345 119.914 -0.220 0.000 2.458 110 V HA 0.126 4.246 4.120 0.000 0.000 0.287 110 V C -1.682 174.271 176.094 -0.234 0.000 1.009 110 V CA -0.434 61.715 62.300 -0.252 0.000 1.091 110 V CB 0.604 32.149 31.823 -0.463 0.000 0.960 110 V HN 0.768 nan 8.190 nan 0.000 0.476 111 P HA 0.136 nan 4.420 nan 0.000 0.271 111 P C 0.003 177.267 177.300 -0.060 0.000 1.380 111 P CA 0.247 63.310 63.100 -0.062 0.000 0.992 111 P CB 0.338 32.053 31.700 0.026 0.000 1.230 112 L N 2.434 123.603 121.223 -0.090 0.000 3.014 112 L HA 0.237 4.577 4.340 0.000 0.000 0.263 112 L C 0.635 177.504 176.870 -0.003 0.000 1.207 112 L CA -0.253 54.562 54.840 -0.041 0.000 1.017 112 L CB -0.008 41.999 42.059 -0.087 0.000 1.360 112 L HN 0.288 nan 8.230 nan 0.000 0.560 113 D N -1.691 118.706 120.400 -0.006 0.000 2.299 113 D HA 0.387 5.027 4.640 0.000 0.000 0.243 113 D C 1.141 177.456 176.300 0.025 0.000 0.982 113 D CA -0.576 53.429 54.000 0.009 0.000 0.924 113 D CB 1.807 42.605 40.800 -0.004 0.000 1.238 113 D HN -0.035 nan 8.370 nan 0.000 0.484 114 G N -0.132 108.686 108.800 0.030 0.000 2.813 114 G HA2 -0.068 3.892 3.960 0.000 0.000 0.209 114 G HA3 -0.068 3.892 3.960 0.000 0.000 0.209 114 G C 1.000 175.928 174.900 0.047 0.000 1.150 114 G CA 0.401 45.521 45.100 0.034 0.000 0.785 114 G HN 0.531 nan 8.290 nan 0.000 0.535 115 T N 1.310 115.901 114.554 0.061 0.000 2.698 115 T HA -0.140 4.210 4.350 0.000 0.000 0.260 115 T C 2.900 177.717 174.700 0.195 0.000 1.044 115 T CA 2.046 64.218 62.100 0.120 0.000 1.149 115 T CB -0.767 68.164 68.868 0.106 0.000 0.864 115 T HN 0.480 nan 8.240 nan 0.000 0.419 116 T N 1.353 115.971 114.554 0.107 0.000 2.759 116 T HA -0.173 4.177 4.350 0.000 0.000 0.269 116 T C 1.991 176.745 174.700 0.091 0.000 1.042 116 T CA 1.187 63.332 62.100 0.076 0.000 1.140 116 T CB -0.344 68.543 68.868 0.032 0.000 0.864 116 T HN 0.259 nan 8.240 nan 0.000 0.455 117 R N 0.982 121.525 120.500 0.072 0.000 2.073 117 R HA -0.126 4.214 4.340 0.000 0.000 0.234 117 R C 2.771 179.099 176.300 0.047 0.000 1.134 117 R CA 1.834 57.966 56.100 0.052 0.000 0.952 117 R CB -0.427 29.898 30.300 0.041 0.000 0.850 117 R HN 0.652 nan 8.270 nan 0.000 0.433 118 Q N -0.767 119.060 119.800 0.045 0.000 2.167 118 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 118 Q C 1.410 177.391 176.000 -0.032 0.000 0.970 118 Q CA 1.461 57.257 55.803 -0.013 0.000 0.855 118 Q CB -0.045 28.658 28.738 -0.058 0.000 0.911 118 Q HN 0.487 nan 8.270 nan 0.000 0.438 119 Y N -0.382 119.890 120.300 -0.046 0.000 2.457 119 Y HA -0.052 4.498 4.550 0.000 0.000 0.292 119 Y C 1.537 177.386 175.900 -0.085 0.000 1.125 119 Y CA 0.762 58.824 58.100 -0.062 0.000 1.254 119 Y CB 0.484 38.901 38.460 -0.072 0.000 1.012 119 Y HN 0.121 nan 8.280 nan 0.000 0.555 120 L N -0.883 120.381 121.223 0.068 0.000 2.513 120 L HA 0.069 4.409 4.340 0.000 0.000 0.222 120 L C 0.158 177.025 176.870 -0.006 0.000 1.096 120 L CA 0.331 55.162 54.840 -0.016 0.000 0.857 120 L CB 0.084 42.109 42.059 -0.057 0.000 1.026 120 L HN 0.043 nan 8.230 nan 0.000 0.469 121 E N 0.151 120.352 120.200 0.002 0.000 2.287 121 E HA -0.246 4.104 4.350 0.000 0.000 0.229 121 E C 1.079 177.681 176.600 0.004 0.000 1.194 121 E CA 0.176 56.573 56.400 -0.005 0.000 0.704 121 E CB -1.546 28.148 29.700 -0.010 0.000 1.216 121 E HN 0.628 nan 8.360 nan 0.000 0.381 122 G N 0.057 108.865 108.800 0.012 0.000 2.234 122 G HA2 -0.407 3.553 3.960 0.000 0.000 0.260 122 G HA3 -0.407 3.553 3.960 0.000 0.000 0.260 122 G C 0.421 175.337 174.900 0.027 0.000 0.987 122 G CA 0.552 45.664 45.100 0.019 0.000 0.625 122 G HN 0.331 nan 8.290 nan 0.000 0.532 123 R N 1.152 121.668 120.500 0.026 0.000 2.590 123 R HA 0.384 4.724 4.340 0.000 0.000 0.274 123 R C -2.231 174.112 176.300 0.072 0.000 1.061 123 R CA -1.141 54.983 56.100 0.040 0.000 1.081 123 R CB 0.128 30.445 30.300 0.029 0.000 0.984 123 R HN 0.155 nan 8.270 nan 0.000 0.448 124 P HA 0.053 nan 4.420 nan 0.000 0.271 124 P C -1.391 176.031 177.300 0.204 0.000 1.216 124 P CA 0.196 63.361 63.100 0.108 0.000 0.776 124 P CB 0.416 32.158 31.700 0.070 0.000 0.881 125 Y N 0.973 121.277 120.300 0.007 0.000 2.670 125 Y HA 0.617 5.167 4.550 0.000 0.000 0.334 125 Y C -1.512 174.387 175.900 -0.001 0.000 1.185 125 Y CA -1.246 56.856 58.100 0.004 0.000 1.053 125 Y CB 1.496 39.961 38.460 0.008 0.000 1.298 125 Y HN 0.377 nan 8.280 nan 0.000 0.459 126 A N 4.062 126.451 122.820 -0.719 0.000 2.815 126 A HA 0.597 4.917 4.320 0.000 0.000 0.318 126 A C -3.005 174.199 177.584 -0.633 0.000 1.186 126 A CA -1.587 50.165 52.037 -0.475 0.000 0.754 126 A CB 0.031 18.829 19.000 -0.336 0.000 1.151 126 A HN 0.412 nan 8.150 nan 0.000 0.452 127 P HA 0.248 nan 4.420 nan 0.000 0.264 127 P C -0.120 177.248 177.300 0.112 0.000 1.229 127 P CA 0.402 63.535 63.100 0.054 0.000 0.780 127 P CB 0.725 32.561 31.700 0.227 0.000 0.808 128 V N 2.387 122.236 119.914 -0.109 0.000 3.040 128 V HA 0.796 4.916 4.120 0.000 0.000 0.312 128 V C -2.546 172.932 176.094 -1.027 0.000 1.115 128 V CA -2.918 59.091 62.300 -0.485 0.000 0.998 128 V CB 2.392 33.972 31.823 -0.405 0.000 1.042 128 V HN 0.228 nan 8.190 nan 0.000 0.433 129 P HA 0.204 nan 4.420 nan 0.000 0.293 129 P C -0.836 176.191 177.300 -0.456 0.000 1.298 129 P CA 0.027 62.429 63.100 -1.164 0.000 0.757 129 P CB 0.568 31.784 31.700 -0.806 0.000 1.262 130 D N -0.909 119.360 120.400 -0.220 0.000 2.350 130 D HA 0.105 4.745 4.640 0.000 0.000 0.249 130 D C -1.513 174.766 176.300 -0.035 0.000 1.119 130 D CA -1.667 52.280 54.000 -0.089 0.000 0.886 130 D CB 0.365 41.153 40.800 -0.021 0.000 1.195 130 D HN 0.065 nan 8.370 nan 0.000 0.437 131 P HA -0.212 nan 4.420 nan 0.000 0.215 131 P C 0.706 178.097 177.300 0.151 0.000 1.163 131 P CA 1.485 64.615 63.100 0.051 0.000 0.894 131 P CB 0.097 31.811 31.700 0.024 0.000 0.791 132 E N -0.549 119.706 120.200 0.092 0.000 2.017 132 E HA -0.131 4.219 4.350 0.000 0.000 0.193 132 E C 2.080 178.741 176.600 0.102 0.000 0.997 132 E CA 1.406 57.858 56.400 0.087 0.000 0.804 132 E CB -1.169 28.561 29.700 0.050 0.000 0.757 132 E HN 0.025 nan 8.360 nan 0.000 0.448 133 V N 1.809 121.776 119.914 0.088 0.000 2.250 133 V HA -0.312 3.808 4.120 0.000 0.000 0.253 133 V C 2.233 178.401 176.094 0.124 0.000 1.065 133 V CA 2.299 64.651 62.300 0.087 0.000 1.039 133 V CB -0.790 31.079 31.823 0.076 0.000 0.647 133 V HN 0.215 nan 8.190 nan 0.000 0.446 134 F N 1.221 121.183 119.950 0.020 0.000 2.120 134 F HA -0.237 4.290 4.527 0.000 0.000 0.300 134 F C 2.642 178.544 175.800 0.170 0.000 1.095 134 F CA 2.407 60.439 58.000 0.053 0.000 1.249 134 F CB -0.398 38.604 39.000 0.002 0.000 0.995 134 F HN -0.053 nan 8.300 nan 0.000 0.480 135 R N 0.196 120.754 120.500 0.097 0.000 2.115 135 R HA -0.076 4.264 4.340 0.000 0.000 0.230 135 R C 2.290 178.586 176.300 -0.007 0.000 1.111 135 R CA 1.025 57.140 56.100 0.024 0.000 0.976 135 R CB -0.516 29.839 30.300 0.091 0.000 0.870 135 R HN 0.420 nan 8.270 nan 0.000 0.445 136 A N 1.462 124.291 122.820 0.016 0.000 1.832 136 A HA -0.132 4.188 4.320 0.000 0.000 0.214 136 A C 2.180 179.770 177.584 0.009 0.000 1.200 136 A CA 1.195 53.239 52.037 0.011 0.000 0.610 136 A CB -0.807 18.206 19.000 0.022 0.000 0.842 136 A HN 0.309 nan 8.150 nan 0.000 0.444 137 L N -2.075 119.151 121.223 0.005 0.000 2.089 137 L HA -0.267 4.073 4.340 0.000 0.000 0.213 137 L C 2.638 179.528 176.870 0.034 0.000 1.079 137 L CA 1.812 56.652 54.840 -0.000 0.000 0.758 137 L CB -0.625 41.431 42.059 -0.004 0.000 0.891 137 L HN 0.736 nan 8.230 nan 0.000 0.433 138 W N 1.467 122.621 121.300 -0.244 0.000 2.380 138 W HA -0.124 4.536 4.660 0.000 0.000 0.317 138 W C 2.789 179.235 176.519 -0.121 0.000 1.196 138 W CA 1.218 58.433 57.345 -0.216 0.000 1.307 138 W CB -0.618 28.596 29.460 -0.410 0.000 1.157 138 W HN -0.011 nan 8.180 nan 0.000 0.483 139 R N -0.232 120.278 120.500 0.017 0.000 2.159 139 R HA -0.171 4.169 4.340 0.000 0.000 0.237 139 R C 2.309 178.593 176.300 -0.026 0.000 1.131 139 R CA 1.188 57.242 56.100 -0.076 0.000 0.982 139 R CB -0.174 30.064 30.300 -0.102 0.000 0.868 139 R HN 0.012 nan 8.270 nan 0.000 0.453 140 R N 0.194 120.691 120.500 -0.005 0.000 2.056 140 R HA 0.023 4.363 4.340 0.000 0.000 0.227 140 R C 2.180 178.467 176.300 -0.021 0.000 1.149 140 R CA 1.346 57.443 56.100 -0.004 0.000 0.937 140 R CB -0.961 29.342 30.300 0.006 0.000 0.835 140 R HN 0.179 nan 8.270 nan 0.000 0.430 141 A N 1.597 124.370 122.820 -0.079 0.000 2.214 141 A HA -0.226 4.094 4.320 0.000 0.000 0.221 141 A C 1.747 179.168 177.584 -0.272 0.000 1.167 141 A CA 1.820 53.703 52.037 -0.257 0.000 0.670 141 A CB -0.349 18.254 19.000 -0.661 0.000 0.797 141 A HN 0.495 nan 8.150 nan 0.000 0.477 142 E N -1.013 119.138 120.200 -0.081 0.000 2.162 142 E HA 0.197 4.547 4.350 0.000 0.000 0.193 142 E C 2.152 178.744 176.600 -0.013 0.000 0.953 142 E CA 0.513 56.928 56.400 0.025 0.000 0.849 142 E CB -0.198 29.549 29.700 0.077 0.000 0.810 142 E HN 0.515 nan 8.360 nan 0.000 0.470 143 A N 1.290 124.094 122.820 -0.026 0.000 2.172 143 A HA -0.027 4.293 4.320 0.000 0.000 0.216 143 A C 1.749 179.300 177.584 -0.056 0.000 1.154 143 A CA 0.739 52.756 52.037 -0.033 0.000 0.701 143 A CB -0.278 18.708 19.000 -0.023 0.000 0.789 143 A HN 0.124 nan 8.150 nan 0.000 0.465 144 L N -0.970 120.208 121.223 -0.074 0.000 2.965 144 L HA 0.235 4.575 4.340 0.000 0.000 0.254 144 L C 1.495 178.101 176.870 -0.440 0.000 1.220 144 L CA 0.146 54.873 54.840 -0.187 0.000 1.023 144 L CB -0.248 41.825 42.059 0.023 0.000 1.355 144 L HN 0.456 nan 8.230 nan 0.000 0.545 145 G N -0.058 108.608 108.800 -0.223 0.000 2.429 145 G HA2 -0.343 3.617 3.960 0.000 0.000 0.314 145 G HA3 -0.343 3.617 3.960 0.000 0.000 0.314 145 G C -0.082 174.721 174.900 -0.162 0.000 0.957 145 G CA 0.491 45.488 45.100 -0.172 0.000 0.806 145 G HN 0.364 nan 8.290 nan 0.000 0.511 146 Y N 1.074 121.383 120.300 0.015 0.000 2.452 146 Y HA 0.359 4.909 4.550 0.000 0.000 0.348 146 Y C -1.346 174.630 175.900 0.127 0.000 0.985 146 Y CA -2.730 55.391 58.100 0.035 0.000 1.214 146 Y CB 0.896 39.350 38.460 -0.011 0.000 1.136 146 Y HN 0.052 nan 8.280 nan 0.000 0.523 147 P HA -0.023 nan 4.420 nan 0.000 0.260 147 P C -0.570 176.927 177.300 0.329 0.000 1.185 147 P CA 0.894 64.166 63.100 0.286 0.000 0.763 147 P CB 0.614 32.412 31.700 0.163 0.000 0.776 148 H N 2.240 121.355 119.070 0.076 0.000 2.959 148 H HA 0.659 5.215 4.556 0.000 0.000 0.296 148 H C -0.539 174.792 175.328 0.005 0.000 1.421 148 H CA -1.038 55.033 56.048 0.038 0.000 1.206 148 H CB 1.188 30.974 29.762 0.040 0.000 1.891 148 H HN 0.232 nan 8.280 nan 0.000 0.573 149 R N 0.120 120.536 120.500 -0.140 0.000 2.725 149 R HA 0.551 4.891 4.340 0.000 0.000 0.277 149 R C -1.212 174.952 176.300 -0.227 0.000 0.987 149 R CA -1.056 54.914 56.100 -0.217 0.000 0.901 149 R CB 2.586 32.822 30.300 -0.106 0.000 1.207 149 R HN 0.431 nan 8.270 nan 0.000 0.463 150 V N 1.229 120.961 119.914 -0.304 0.000 2.378 150 V HA 0.838 4.958 4.120 0.000 0.000 0.288 150 V C 0.433 176.406 176.094 -0.201 0.000 1.016 150 V CA -0.289 61.789 62.300 -0.370 0.000 0.840 150 V CB 1.285 32.586 31.823 -0.871 0.000 0.994 150 V HN 1.024 nan 8.190 nan 0.000 0.431 151 G N 3.753 112.491 108.800 -0.103 0.000 2.435 151 G HA2 0.454 4.414 3.960 0.000 0.000 0.296 151 G HA3 0.454 4.414 3.960 0.000 0.000 0.296 151 G C -1.641 173.229 174.900 -0.050 0.000 1.240 151 G CA -0.884 44.173 45.100 -0.070 0.000 0.872 151 G HN 0.490 nan 8.290 nan 0.000 0.480 152 L N 0.624 121.811 121.223 -0.059 0.000 2.399 152 L HA 0.704 5.044 4.340 0.000 0.000 0.266 152 L C 0.476 177.268 176.870 -0.130 0.000 1.114 152 L CA -0.908 53.885 54.840 -0.079 0.000 0.804 152 L CB 1.470 43.483 42.059 -0.077 0.000 1.146 152 L HN 0.658 nan 8.230 nan 0.000 0.451 153 V N -0.337 119.470 119.914 -0.178 0.000 3.040 153 V HA 0.939 5.059 4.120 0.000 0.000 0.312 153 V C -0.566 175.285 176.094 -0.405 0.000 1.115 153 V CA -0.731 61.403 62.300 -0.278 0.000 0.998 153 V CB 1.830 33.535 31.823 -0.197 0.000 1.042 153 V HN 0.811 nan 8.190 nan 0.000 0.433 154 A N 1.706 124.151 122.820 -0.625 0.000 2.337 154 A HA 0.864 5.184 4.320 0.000 0.000 0.329 154 A C -0.016 177.326 177.584 -0.403 0.000 1.146 154 A CA -0.551 51.080 52.037 -0.678 0.000 0.800 154 A CB 1.494 19.765 19.000 -1.216 0.000 1.220 154 A HN 1.121 nan 8.150 nan 0.000 0.472 155 S N 1.566 117.095 115.700 -0.285 0.000 2.498 155 S HA 0.454 4.924 4.470 0.000 0.000 0.324 155 S C -0.261 174.283 174.600 -0.093 0.000 1.071 155 S CA -0.595 57.507 58.200 -0.162 0.000 1.113 155 S CB 0.570 63.671 63.200 -0.165 0.000 0.976 155 S HN 0.786 nan 8.310 nan 0.000 0.462 156 E N 2.081 122.270 120.200 -0.018 0.000 2.316 156 E HA 0.544 4.894 4.350 0.000 0.000 0.258 156 E C -0.813 175.808 176.600 0.035 0.000 0.952 156 E CA -0.899 55.514 56.400 0.021 0.000 0.818 156 E CB 0.934 30.675 29.700 0.069 0.000 1.260 156 E HN 0.176 nan 8.360 nan 0.000 0.416 157 D N 0.100 120.527 120.400 0.045 0.000 2.490 157 D HA 0.122 4.762 4.640 0.000 0.000 0.244 157 D C 0.227 176.577 176.300 0.083 0.000 0.979 157 D CA 0.649 54.681 54.000 0.054 0.000 0.924 157 D CB 0.141 40.968 40.800 0.044 0.000 1.075 157 D HN 0.504 nan 8.370 nan 0.000 0.488 158 A N 0.886 123.754 122.820 0.080 0.000 2.807 158 A HA 0.194 4.514 4.320 0.000 0.000 0.307 158 A C 0.635 178.282 177.584 0.104 0.000 1.532 158 A CA -0.441 51.660 52.037 0.107 0.000 1.215 158 A CB -0.969 18.081 19.000 0.082 0.000 1.127 158 A HN 0.124 nan 8.150 nan 0.000 0.543 159 F N 2.208 122.146 119.950 -0.021 0.000 2.154 159 F HA -0.232 4.295 4.527 0.000 0.000 0.301 159 F C 1.136 176.794 175.800 -0.237 0.000 1.087 159 F CA 2.073 59.986 58.000 -0.145 0.000 1.274 159 F CB -0.040 38.836 39.000 -0.207 0.000 1.009 159 F HN 0.668 nan 8.300 nan 0.000 0.485 160 Y N -0.769 119.604 120.300 0.121 0.000 2.466 160 Y HA 0.311 4.861 4.550 0.000 0.000 0.272 160 Y C 2.007 177.876 175.900 -0.052 0.000 1.169 160 Y CA 0.183 58.294 58.100 0.019 0.000 1.285 160 Y CB -0.381 38.150 38.460 0.120 0.000 1.078 160 Y HN 0.141 nan 8.280 nan 0.000 0.523 161 A N -0.547 122.305 122.820 0.054 0.000 1.855 161 A HA -0.044 4.276 4.320 0.000 0.000 0.213 161 A C 1.377 178.930 177.584 -0.051 0.000 1.195 161 A CA 0.858 52.907 52.037 0.020 0.000 0.610 161 A CB -0.854 18.165 19.000 0.031 0.000 0.837 161 A HN 0.155 nan 8.150 nan 0.000 0.444 162 T N 2.466 116.935 114.554 -0.142 0.000 2.765 162 T HA 0.328 4.678 4.350 0.000 0.000 0.284 162 T C 0.503 175.067 174.700 -0.228 0.000 0.946 162 T CA 0.748 62.718 62.100 -0.217 0.000 1.185 162 T CB -0.215 68.392 68.868 -0.434 0.000 0.887 162 T HN 0.609 nan 8.240 nan 0.000 0.532 163 T N 2.285 116.757 114.554 -0.137 0.000 2.922 163 T HA 0.337 4.687 4.350 0.000 0.000 0.285 163 T C -1.710 172.921 174.700 -0.115 0.000 1.005 163 T CA -2.242 59.794 62.100 -0.108 0.000 1.061 163 T CB 1.326 70.162 68.868 -0.053 0.000 1.007 163 T HN 0.078 nan 8.240 nan 0.000 0.502 164 P HA -0.193 nan 4.420 nan 0.000 0.217 164 P C 1.409 178.691 177.300 -0.030 0.000 1.158 164 P CA 1.374 64.432 63.100 -0.069 0.000 0.887 164 P CB 0.102 31.775 31.700 -0.046 0.000 0.792 165 E N -0.304 119.883 120.200 -0.021 0.000 2.085 165 E HA -0.236 4.114 4.350 0.000 0.000 0.194 165 E C 1.835 178.445 176.600 0.017 0.000 0.994 165 E CA 1.193 57.591 56.400 -0.003 0.000 0.801 165 E CB -0.211 29.483 29.700 -0.009 0.000 0.743 165 E HN 0.338 nan 8.360 nan 0.000 0.453 166 E N -0.072 120.137 120.200 0.016 0.000 2.106 166 E HA -0.162 4.188 4.350 0.000 0.000 0.192 166 E C 1.980 178.699 176.600 0.198 0.000 0.984 166 E CA 0.769 57.211 56.400 0.071 0.000 0.806 166 E CB -0.074 29.669 29.700 0.072 0.000 0.750 166 E HN 0.309 nan 8.360 nan 0.000 0.458 167 A N 1.514 124.399 122.820 0.109 0.000 1.898 167 A HA -0.158 4.162 4.320 0.000 0.000 0.216 167 A C 2.076 179.841 177.584 0.301 0.000 1.181 167 A CA 1.086 53.256 52.037 0.222 0.000 0.620 167 A CB -0.293 18.684 19.000 -0.038 0.000 0.819 167 A HN 0.046 nan 8.150 nan 0.000 0.442 168 R N -0.607 119.984 120.500 0.151 0.000 2.081 168 R HA -0.104 4.236 4.340 0.000 0.000 0.235 168 R C 2.521 178.892 176.300 0.119 0.000 1.131 168 R CA 1.163 57.332 56.100 0.115 0.000 0.960 168 R CB -0.487 29.843 30.300 0.050 0.000 0.856 168 R HN 0.523 nan 8.270 nan 0.000 0.436 169 A N 0.378 123.256 122.820 0.097 0.000 1.892 169 A HA -0.219 4.101 4.320 0.000 0.000 0.218 169 A C 1.875 179.535 177.584 0.127 0.000 1.188 169 A CA 1.420 53.476 52.037 0.032 0.000 0.631 169 A CB -1.045 17.932 19.000 -0.037 0.000 0.822 169 A HN 0.515 nan 8.150 nan 0.000 0.447 170 W N -0.538 120.905 121.300 0.237 0.000 2.374 170 W HA -0.025 4.636 4.660 0.000 0.000 0.288 170 W C 2.680 179.319 176.519 0.200 0.000 1.218 170 W CA 1.014 58.540 57.345 0.300 0.000 1.245 170 W CB 0.036 29.697 29.460 0.335 0.000 1.126 170 W HN 0.428 nan 8.180 nan 0.000 0.545 171 A N 0.206 123.248 122.820 0.369 0.000 2.015 171 A HA -0.160 4.160 4.320 0.000 0.000 0.219 171 A C 1.876 179.520 177.584 0.100 0.000 1.163 171 A CA 1.137 53.294 52.037 0.200 0.000 0.646 171 A CB -0.563 18.525 19.000 0.146 0.000 0.806 171 A HN 0.280 nan 8.150 nan 0.000 0.448 172 R N -1.903 118.606 120.500 0.016 0.000 2.152 172 R HA -0.130 4.210 4.340 0.000 0.000 0.232 172 R C 1.267 177.420 176.300 -0.245 0.000 1.117 172 R CA 1.475 57.470 56.100 -0.175 0.000 0.981 172 R CB -0.295 29.799 30.300 -0.343 0.000 0.870 172 R HN 0.715 nan 8.270 nan 0.000 0.451 173 Y N -1.518 118.837 120.300 0.092 0.000 2.517 173 Y HA 0.157 4.707 4.550 0.000 0.000 0.281 173 Y C 1.774 177.726 175.900 0.086 0.000 1.125 173 Y CA 0.826 58.986 58.100 0.101 0.000 1.283 173 Y CB 0.805 39.376 38.460 0.184 0.000 1.042 173 Y HN 0.249 nan 8.280 nan 0.000 0.547 174 G N -1.115 107.801 108.800 0.192 0.000 2.485 174 G HA2 -0.201 3.759 3.960 0.000 0.000 0.181 174 G HA3 -0.201 3.759 3.960 0.000 0.000 0.181 174 G C -0.346 174.581 174.900 0.045 0.000 0.999 174 G CA -0.249 44.908 45.100 0.095 0.000 0.721 174 G HN -0.022 nan 8.290 nan 0.000 0.486 175 V N 2.921 122.872 119.914 0.062 0.000 2.493 175 V HA 0.160 4.280 4.120 0.000 0.000 0.292 175 V C 1.959 178.007 176.094 -0.076 0.000 1.016 175 V CA 0.741 62.972 62.300 -0.114 0.000 1.097 175 V CB 0.926 32.574 31.823 -0.292 0.000 0.947 175 V HN 0.350 nan 8.190 nan 0.000 0.479 176 L N 4.291 125.452 121.223 -0.105 0.000 2.102 176 L HA 0.298 4.638 4.340 0.000 0.000 0.202 176 L C 1.055 177.906 176.870 -0.033 0.000 1.076 176 L CA 1.415 56.225 54.840 -0.050 0.000 0.761 176 L CB -0.155 41.873 42.059 -0.053 0.000 0.921 176 L HN 0.791 nan 8.230 nan 0.000 0.444 177 A N -1.513 121.243 122.820 -0.106 0.000 2.568 177 A HA 0.677 4.997 4.320 0.000 0.000 0.291 177 A C -1.885 175.583 177.584 -0.194 0.000 1.159 177 A CA -0.447 51.580 52.037 -0.017 0.000 0.679 177 A CB 0.885 19.892 19.000 0.011 0.000 1.285 177 A HN -0.062 nan 8.150 nan 0.000 0.428 178 F N 0.746 120.631 119.950 -0.109 0.000 2.449 178 F HA 0.566 5.093 4.527 0.000 0.000 0.342 178 F C 0.487 176.222 175.800 -0.108 0.000 1.127 178 F CA -0.205 57.710 58.000 -0.142 0.000 0.975 178 F CB 2.119 41.017 39.000 -0.170 0.000 1.146 178 F HN 0.807 nan 8.300 nan 0.000 0.444 179 E N 1.494 121.694 120.200 -0.000 0.000 2.493 179 E HA 0.716 5.066 4.350 0.000 0.000 0.243 179 E C -0.735 175.860 176.600 -0.007 0.000 0.875 179 E CA -0.715 55.682 56.400 -0.004 0.000 0.872 179 E CB 1.388 31.051 29.700 -0.062 0.000 1.476 179 E HN 0.511 nan 8.360 nan 0.000 0.394 180 M N -0.547 119.039 119.600 -0.024 0.000 3.039 180 M HA 0.326 4.806 4.480 0.000 0.000 0.442 180 M C -0.660 175.606 176.300 -0.058 0.000 1.408 180 M CA 0.194 55.480 55.300 -0.023 0.000 0.804 180 M CB 0.791 33.407 32.600 0.026 0.000 1.471 180 M HN 0.551 nan 8.290 nan 0.000 0.516 181 E N -0.560 119.578 120.200 -0.104 0.000 2.626 181 E HA 0.306 4.656 4.350 0.000 0.000 0.198 181 E C 1.580 178.057 176.600 -0.205 0.000 0.943 181 E CA 0.534 56.862 56.400 -0.119 0.000 1.515 181 E CB 0.194 29.842 29.700 -0.087 0.000 1.677 181 E HN 0.316 nan 8.360 nan 0.000 0.897 182 A N 1.268 123.910 122.820 -0.296 0.000 1.892 182 A HA -0.275 4.045 4.320 0.000 0.000 0.218 182 A C 2.260 179.415 177.584 -0.715 0.000 1.188 182 A CA 2.546 54.233 52.037 -0.584 0.000 0.631 182 A CB -0.981 17.647 19.000 -0.620 0.000 0.822 182 A HN 0.321 nan 8.150 nan 0.000 0.447 183 S N 0.277 115.732 115.700 -0.408 0.000 2.353 183 S HA -0.044 4.426 4.470 0.000 0.000 0.222 183 S C 2.131 176.667 174.600 -0.106 0.000 1.035 183 S CA 1.679 59.744 58.200 -0.224 0.000 1.025 183 S CB -0.894 62.236 63.200 -0.115 0.000 0.902 183 S HN 1.083 nan 8.310 nan 0.000 0.440 184 A N 1.346 124.095 122.820 -0.117 0.000 2.015 184 A HA 0.163 4.483 4.320 0.000 0.000 0.219 184 A C 2.227 179.751 177.584 -0.099 0.000 1.163 184 A CA 1.368 53.339 52.037 -0.109 0.000 0.646 184 A CB -0.772 18.167 19.000 -0.101 0.000 0.806 184 A HN 0.565 nan 8.150 nan 0.000 0.448 185 L N -1.137 120.028 121.223 -0.096 0.000 2.027 185 L HA -0.014 4.326 4.340 0.000 0.000 0.206 185 L C 2.265 179.232 176.870 0.162 0.000 1.074 185 L CA 1.788 56.620 54.840 -0.014 0.000 0.745 185 L CB -0.595 41.433 42.059 -0.052 0.000 0.898 185 L HN 0.467 nan 8.230 nan 0.000 0.433 186 F N -1.499 118.437 119.950 -0.023 0.000 2.102 186 F HA -0.256 4.271 4.527 0.000 0.000 0.298 186 F C 2.349 178.166 175.800 0.028 0.000 1.105 186 F CA 0.608 58.608 58.000 0.000 0.000 1.239 186 F CB -0.277 38.721 39.000 -0.003 0.000 0.991 186 F HN 0.250 nan 8.300 nan 0.000 0.474 187 L N 1.082 122.444 121.223 0.232 0.000 1.955 187 L HA -0.232 4.108 4.340 0.000 0.000 0.213 187 L C 2.136 178.991 176.870 -0.024 0.000 1.072 187 L CA 1.764 56.667 54.840 0.104 0.000 0.755 187 L CB -1.175 40.849 42.059 -0.058 0.000 0.888 187 L HN 0.074 nan 8.230 nan 0.000 0.432 188 L N -0.312 120.841 121.223 -0.115 0.000 2.137 188 L HA -0.220 4.120 4.340 0.000 0.000 0.213 188 L C 2.531 179.378 176.870 -0.038 0.000 1.085 188 L CA 1.270 56.025 54.840 -0.140 0.000 0.760 188 L CB -1.554 40.403 42.059 -0.170 0.000 0.893 188 L HN 0.576 nan 8.230 nan 0.000 0.434 189 G N -0.102 108.713 108.800 0.024 0.000 2.529 189 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 189 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 189 G C 1.744 176.658 174.900 0.023 0.000 1.177 189 G CA 0.629 45.752 45.100 0.039 0.000 0.773 189 G HN 0.208 nan 8.290 nan 0.000 0.573 190 R N -0.288 120.233 120.500 0.035 0.000 2.075 190 R HA 0.198 4.538 4.340 0.000 0.000 0.226 190 R C 2.756 179.061 176.300 0.009 0.000 1.114 190 R CA 0.757 56.877 56.100 0.034 0.000 0.972 190 R CB -0.856 29.495 30.300 0.084 0.000 0.869 190 R HN 0.412 nan 8.270 nan 0.000 0.437 191 M N 0.429 120.017 119.600 -0.019 0.000 2.202 191 M HA -0.149 4.331 4.480 0.000 0.000 0.262 191 M C 1.622 177.912 176.300 -0.015 0.000 1.063 191 M CA 1.627 56.906 55.300 -0.035 0.000 1.097 191 M CB -0.052 32.496 32.600 -0.088 0.000 1.382 191 M HN -0.067 nan 8.290 nan 0.000 0.413 192 R N -1.051 119.440 120.500 -0.014 0.000 2.254 192 R HA 0.255 4.595 4.340 0.000 0.000 0.193 192 R C 1.332 177.636 176.300 0.006 0.000 0.929 192 R CA 0.913 57.012 56.100 -0.002 0.000 1.038 192 R CB -0.103 30.194 30.300 -0.005 0.000 1.009 192 R HN 0.513 nan 8.270 nan 0.000 0.512 193 G N 1.047 109.851 108.800 0.007 0.000 2.144 193 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 193 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 193 G C 0.218 175.125 174.900 0.013 0.000 0.988 193 G CA 0.233 45.339 45.100 0.010 0.000 0.659 193 G HN 0.296 nan 8.290 nan 0.000 0.522 194 V N -2.243 117.680 119.914 0.014 0.000 3.109 194 V HA 0.866 4.986 4.120 0.000 0.000 0.317 194 V C 0.467 176.574 176.094 0.021 0.000 1.074 194 V CA -1.354 60.958 62.300 0.019 0.000 1.033 194 V CB 1.315 33.152 31.823 0.022 0.000 1.111 194 V HN 0.278 nan 8.190 nan 0.000 0.458 195 R N 2.058 122.573 120.500 0.025 0.000 2.215 195 R HA 0.519 4.859 4.340 0.000 0.000 0.336 195 R C 0.026 176.349 176.300 0.039 0.000 0.996 195 R CA -0.000 56.114 56.100 0.024 0.000 0.847 195 R CB 1.268 31.583 30.300 0.025 0.000 1.127 195 R HN 1.066 nan 8.270 nan 0.000 0.465 196 T N -0.861 113.718 114.554 0.042 0.000 2.937 196 T HA 0.870 5.220 4.350 0.000 0.000 0.283 196 T C 0.359 175.114 174.700 0.092 0.000 1.012 196 T CA -0.804 61.352 62.100 0.092 0.000 0.997 196 T CB 2.284 71.254 68.868 0.170 0.000 1.136 196 T HN 0.579 nan 8.240 nan 0.000 0.551 197 G N -1.060 107.858 108.800 0.196 0.000 2.559 197 G HA2 0.745 4.705 3.960 0.000 0.000 0.291 197 G HA3 0.745 4.705 3.960 0.000 0.000 0.291 197 G C -1.807 173.295 174.900 0.337 0.000 1.424 197 G CA -0.527 44.711 45.100 0.231 0.000 0.786 197 G HN 1.338 nan 8.290 nan 0.000 0.485 198 A N -0.161 122.856 122.820 0.330 0.000 2.491 198 A HA 0.733 5.053 4.320 0.000 0.000 0.293 198 A C -1.484 176.188 177.584 0.146 0.000 1.047 198 A CA -0.368 51.799 52.037 0.217 0.000 0.735 198 A CB 1.222 20.330 19.000 0.180 0.000 1.281 198 A HN 1.486 nan 8.150 nan 0.000 0.398 199 I N 2.351 122.962 120.570 0.069 0.000 2.689 199 I HA 0.802 4.972 4.170 0.000 0.000 0.299 199 I C -1.616 174.509 176.117 0.012 0.000 1.059 199 I CA -1.290 60.032 61.300 0.037 0.000 1.055 199 I CB 1.710 39.717 38.000 0.011 0.000 1.243 199 I HN 0.678 nan 8.210 nan 0.000 0.425 200 L N 6.310 127.536 121.223 0.005 0.000 2.376 200 L HA 0.787 5.127 4.340 0.000 0.000 0.258 200 L C -0.748 176.118 176.870 -0.006 0.000 1.013 200 L CA -0.648 54.188 54.840 -0.006 0.000 0.822 200 L CB 2.003 44.054 42.059 -0.013 0.000 1.388 200 L HN 0.612 nan 8.230 nan 0.000 0.413 201 A N 1.272 124.086 122.820 -0.011 0.000 2.287 201 A HA 0.690 5.010 4.320 0.000 0.000 0.317 201 A C -0.607 176.973 177.584 -0.007 0.000 1.220 201 A CA -0.547 51.483 52.037 -0.012 0.000 0.835 201 A CB 1.062 20.047 19.000 -0.024 0.000 1.180 201 A HN 0.383 nan 8.150 nan 0.000 0.500 202 V N 3.819 123.733 119.914 -0.000 0.000 2.403 202 V HA 0.073 4.193 4.120 0.000 0.000 0.265 202 V C 1.508 177.603 176.094 0.002 0.000 1.034 202 V CA 0.993 63.296 62.300 0.006 0.000 1.036 202 V CB 0.212 32.041 31.823 0.010 0.000 1.032 202 V HN 1.098 nan 8.190 nan 0.000 0.478 203 S N 3.498 119.200 115.700 0.003 0.000 2.528 203 S HA 0.101 4.571 4.470 0.000 0.000 0.219 203 S C 0.543 175.146 174.600 0.005 0.000 0.985 203 S CA 0.279 58.478 58.200 -0.001 0.000 0.914 203 S CB -0.311 62.888 63.200 -0.002 0.000 0.776 203 S HN 0.955 nan 8.310 nan 0.000 0.526 204 N N -0.333 118.372 118.700 0.008 0.000 3.413 204 N HA 0.200 4.940 4.740 0.000 0.000 0.273 204 N C -1.893 173.617 175.510 0.000 0.000 1.458 204 N CA -1.138 51.914 53.050 0.004 0.000 0.860 204 N CB 0.668 39.158 38.487 0.006 0.000 1.556 204 N HN -0.044 nan 8.380 nan 0.000 0.475 205 R N 0.976 121.471 120.500 -0.009 0.000 2.371 205 R HA 0.427 4.767 4.340 0.000 0.000 0.312 205 R C -0.046 176.227 176.300 -0.045 0.000 0.980 205 R CA -0.727 55.365 56.100 -0.013 0.000 0.867 205 R CB 0.991 31.288 30.300 -0.005 0.000 1.163 205 R HN 0.485 nan 8.270 nan 0.000 0.492 206 I N 1.773 122.297 120.570 -0.076 0.000 3.355 206 I HA -0.376 3.794 4.170 0.000 0.000 0.359 206 I C 1.454 177.489 176.117 -0.136 0.000 1.137 206 I CA 1.877 63.080 61.300 -0.163 0.000 1.554 206 I CB -0.080 37.782 38.000 -0.230 0.000 1.240 206 I HN 1.078 nan 8.210 nan 0.000 0.483 207 G N 3.844 112.544 108.800 -0.166 0.000 2.217 207 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 207 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 207 G C -0.089 174.779 174.900 -0.053 0.000 0.990 207 G CA -0.002 45.035 45.100 -0.104 0.000 0.627 207 G HN 0.660 nan 8.290 nan 0.000 0.522 208 D N 1.299 121.671 120.400 -0.048 0.000 2.264 208 D HA 0.467 5.107 4.640 0.000 0.000 0.250 208 D C -0.421 175.886 176.300 0.011 0.000 1.113 208 D CA -1.213 52.779 54.000 -0.013 0.000 0.871 208 D CB 1.614 42.407 40.800 -0.011 0.000 1.167 208 D HN 0.199 nan 8.370 nan 0.000 0.447 209 P HA -0.033 nan 4.420 nan 0.000 0.230 209 P C -0.449 176.886 177.300 0.059 0.000 1.158 209 P CA 0.635 63.775 63.100 0.066 0.000 0.769 209 P CB 0.832 32.568 31.700 0.060 0.000 0.807 210 E N -1.309 118.913 120.200 0.036 0.000 2.352 210 E HA 0.345 4.695 4.350 0.000 0.000 0.280 210 E C -0.015 176.594 176.600 0.016 0.000 0.930 210 E CA -0.783 55.633 56.400 0.027 0.000 0.765 210 E CB 1.681 31.393 29.700 0.020 0.000 1.219 210 E HN -0.145 nan 8.360 nan 0.000 0.434 211 L N 0.819 122.049 121.223 0.012 0.000 2.347 211 L HA 0.395 4.735 4.340 0.000 0.000 0.172 211 L C 0.697 177.567 176.870 0.000 0.000 1.009 211 L CA 0.066 54.909 54.840 0.004 0.000 0.974 211 L CB -0.197 41.859 42.059 -0.004 0.000 1.427 211 L HN 0.588 nan 8.230 nan 0.000 0.507 212 A N -1.586 121.232 122.820 -0.004 0.000 2.392 212 A HA 0.665 4.985 4.320 0.000 0.000 0.283 212 A C -2.425 175.154 177.584 -0.008 0.000 1.197 212 A CA -1.550 50.484 52.037 -0.004 0.000 0.895 212 A CB -0.083 18.916 19.000 -0.001 0.000 1.400 212 A HN 0.467 nan 8.150 nan 0.000 0.461 213 P HA 0.023 nan 4.420 nan 0.000 0.252 213 P C -1.970 175.320 177.300 -0.017 0.000 1.147 213 P CA -0.192 62.903 63.100 -0.009 0.000 0.779 213 P CB -0.041 31.657 31.700 -0.003 0.000 0.733 214 P HA -0.282 nan 4.420 nan 0.000 0.220 214 P C 1.415 178.689 177.300 -0.043 0.000 1.155 214 P CA 1.457 64.533 63.100 -0.039 0.000 0.880 214 P CB 0.065 31.742 31.700 -0.039 0.000 0.790 215 E N -0.381 119.804 120.200 -0.026 0.000 2.033 215 E HA -0.208 4.142 4.350 0.000 0.000 0.199 215 E C 1.781 178.371 176.600 -0.017 0.000 1.011 215 E CA 2.204 58.593 56.400 -0.018 0.000 0.815 215 E CB -0.509 29.189 29.700 -0.003 0.000 0.755 215 E HN -0.037 nan 8.360 nan 0.000 0.451 216 V N 1.757 121.666 119.914 -0.009 0.000 2.282 216 V HA -0.288 3.832 4.120 0.000 0.000 0.249 216 V C 2.629 178.712 176.094 -0.018 0.000 1.057 216 V CA 2.034 64.332 62.300 -0.003 0.000 1.032 216 V CB -0.836 30.988 31.823 0.003 0.000 0.645 216 V HN 0.421 nan 8.190 nan 0.000 0.447 217 L N -0.313 120.890 121.223 -0.034 0.000 2.191 217 L HA -0.216 4.124 4.340 0.000 0.000 0.212 217 L C 2.493 179.312 176.870 -0.085 0.000 1.103 217 L CA 1.827 56.636 54.840 -0.051 0.000 0.769 217 L CB -0.157 41.869 42.059 -0.055 0.000 0.908 217 L HN 0.379 nan 8.230 nan 0.000 0.438 218 Q N 0.148 119.886 119.800 -0.103 0.000 2.212 218 Q HA -0.221 4.119 4.340 0.000 0.000 0.199 218 Q C 1.981 177.926 176.000 -0.091 0.000 0.950 218 Q CA 1.600 57.301 55.803 -0.171 0.000 0.863 218 Q CB 0.076 28.695 28.738 -0.199 0.000 0.944 218 Q HN 0.566 nan 8.270 nan 0.000 0.465 219 E N -1.055 119.128 120.200 -0.028 0.000 2.274 219 E HA -0.026 4.324 4.350 0.000 0.000 0.194 219 E C 1.608 178.200 176.600 -0.013 0.000 0.996 219 E CA 1.339 57.750 56.400 0.019 0.000 0.840 219 E CB -0.561 29.163 29.700 0.039 0.000 0.772 219 E HN 0.431 nan 8.360 nan 0.000 0.491 220 G N -0.187 108.594 108.800 -0.032 0.000 2.396 220 G HA2 -0.140 3.820 3.960 0.000 0.000 0.214 220 G HA3 -0.140 3.820 3.960 0.000 0.000 0.214 220 G C 1.601 176.469 174.900 -0.053 0.000 1.166 220 G CA 0.735 45.807 45.100 -0.046 0.000 0.793 220 G HN 0.229 nan 8.290 nan 0.000 0.533 221 V N 0.577 120.464 119.914 -0.045 0.000 2.379 221 V HA -0.082 4.038 4.120 0.000 0.000 0.245 221 V C 2.714 178.869 176.094 0.101 0.000 1.044 221 V CA 1.818 64.108 62.300 -0.017 0.000 1.036 221 V CB -0.480 31.283 31.823 -0.100 0.000 0.664 221 V HN 0.322 nan 8.190 nan 0.000 0.453 222 R N 0.238 120.845 120.500 0.177 0.000 2.097 222 R HA -0.217 4.123 4.340 0.000 0.000 0.236 222 R C 2.608 179.000 176.300 0.152 0.000 1.135 222 R CA 2.112 58.489 56.100 0.462 0.000 0.934 222 R CB -0.263 30.309 30.300 0.454 0.000 0.846 222 R HN 0.430 nan 8.270 nan 0.000 0.431 223 R N 0.236 120.695 120.500 -0.068 0.000 2.122 223 R HA -0.253 4.087 4.340 0.000 0.000 0.236 223 R C 2.482 178.621 176.300 -0.268 0.000 1.129 223 R CA 2.394 58.261 56.100 -0.387 0.000 0.925 223 R CB -0.684 29.202 30.300 -0.691 0.000 0.850 223 R HN 0.390 nan 8.270 nan 0.000 0.431 224 M N 0.811 120.309 119.600 -0.171 0.000 2.147 224 M HA -0.269 4.211 4.480 0.000 0.000 0.253 224 M C 1.991 178.214 176.300 -0.128 0.000 1.075 224 M CA 2.090 57.322 55.300 -0.114 0.000 1.085 224 M CB -0.199 32.369 32.600 -0.053 0.000 1.305 224 M HN 0.084 nan 8.290 nan 0.000 0.409 225 V N 0.222 120.061 119.914 -0.125 0.000 2.427 225 V HA -0.238 3.882 4.120 0.000 0.000 0.248 225 V C 2.298 178.108 176.094 -0.473 0.000 1.051 225 V CA 2.249 64.387 62.300 -0.270 0.000 1.048 225 V CB -1.022 30.636 31.823 -0.275 0.000 0.666 225 V HN 0.607 nan 8.190 nan 0.000 0.456 226 E N 0.463 120.418 120.200 -0.408 0.000 2.031 226 E HA -0.188 4.162 4.350 0.000 0.000 0.193 226 E C 2.201 178.686 176.600 -0.192 0.000 0.994 226 E CA 1.762 57.962 56.400 -0.333 0.000 0.800 226 E CB -0.043 29.607 29.700 -0.084 0.000 0.752 226 E HN 0.415 nan 8.360 nan 0.000 0.447 227 V N 1.302 121.136 119.914 -0.135 0.000 2.568 227 V HA -0.276 3.845 4.120 0.000 0.000 0.253 227 V C 2.250 178.288 176.094 -0.092 0.000 1.072 227 V CA 1.732 63.988 62.300 -0.073 0.000 1.084 227 V CB -0.785 30.994 31.823 -0.074 0.000 0.676 227 V HN 0.405 nan 8.190 nan 0.000 0.469 228 A N -0.100 122.632 122.820 -0.147 0.000 1.831 228 A HA -0.003 4.317 4.320 0.000 0.000 0.213 228 A C 2.146 179.625 177.584 -0.175 0.000 1.223 228 A CA 1.196 53.154 52.037 -0.133 0.000 0.604 228 A CB -0.638 18.280 19.000 -0.135 0.000 0.878 228 A HN 0.387 nan 8.150 nan 0.000 0.450 229 L N -0.151 120.875 121.223 -0.329 0.000 2.064 229 L HA -0.299 4.041 4.340 0.000 0.000 0.216 229 L C 2.607 179.332 176.870 -0.241 0.000 1.077 229 L CA 1.935 56.493 54.840 -0.470 0.000 0.766 229 L CB -0.645 40.771 42.059 -1.071 0.000 0.890 229 L HN 0.533 nan 8.230 nan 0.000 0.435 230 E N -0.522 119.609 120.200 -0.115 0.000 2.150 230 E HA -0.188 4.162 4.350 0.000 0.000 0.193 230 E C 2.209 178.836 176.600 0.044 0.000 0.985 230 E CA 0.993 57.438 56.400 0.075 0.000 0.814 230 E CB -0.034 29.712 29.700 0.077 0.000 0.752 230 E HN 0.552 nan 8.360 nan 0.000 0.466 231 A N 1.253 124.071 122.820 -0.004 0.000 1.855 231 A HA -0.117 4.203 4.320 0.000 0.000 0.213 231 A C 2.527 180.120 177.584 0.016 0.000 1.195 231 A CA 1.277 53.319 52.037 0.007 0.000 0.610 231 A CB -0.916 18.083 19.000 -0.002 0.000 0.837 231 A HN 0.210 nan 8.150 nan 0.000 0.444 232 V N -2.066 117.850 119.914 0.003 0.000 2.636 232 V HA -0.231 3.889 4.120 0.000 0.000 0.258 232 V C 2.068 178.184 176.094 0.037 0.000 1.092 232 V CA 2.139 64.449 62.300 0.016 0.000 1.110 232 V CB -0.975 30.849 31.823 0.003 0.000 0.685 232 V HN 0.282 nan 8.190 nan 0.000 0.481 233 L N -0.109 121.147 121.223 0.054 0.000 2.307 233 L HA 0.139 4.479 4.340 0.000 0.000 0.211 233 L C 2.538 179.437 176.870 0.049 0.000 1.099 233 L CA 1.386 56.268 54.840 0.070 0.000 0.816 233 L CB -0.569 41.560 42.059 0.116 0.000 0.952 233 L HN 0.324 nan 8.230 nan 0.000 0.455 234 E N -1.351 118.873 120.200 0.040 0.000 2.502 234 E HA 0.029 4.379 4.350 0.000 0.000 0.194 234 E C 0.186 176.801 176.600 0.025 0.000 1.062 234 E CA 0.000 56.418 56.400 0.029 0.000 0.867 234 E CB 0.647 30.361 29.700 0.023 0.000 0.888 234 E HN 0.172 nan 8.360 nan 0.000 0.510 235 V N 0.000 119.931 119.914 0.028 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.316 62.300 0.026 0.000 1.235 235 V CB 0.000 31.841 31.823 0.029 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556