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 3gjc_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKREHWATRL GLILAMAGNA VGLGNFLRFP VQAAENGGGA FMIPYIIAFL DATA SEQUENCE LVGIPLMWIE WAMGRYGGAQ GHGTTPAIFY LLWRNRFAKI LGVFGLWIPL DATA SEQUENCE VVAIYYVYIE SWTLGFAIKF LVGLVPEPPP NATDPDSILR PFKEFLYSYI DATA SEQUENCE GVPKGDEPIL KPSLFAYIVF LITMFINVSI LIRGISKGIE RFAKIAMPTL DATA SEQUENCE FILAVFLVIR VFLLETPNGT AADGLNFLWT PDFEKLKDPG VWIAAVGQIF DATA SEQUENCE FTLSLGFGAI ITYASYVRKD QDIVLSGLTA ATLNEKASVI LGGSISIPAA DATA SEQUENCE VAFFGVANAV AIAKAGAFNL GFITLPAIFS QTAGGTFLGF LWFFLLFFAG DATA SEQUENCE LTSSIAIMQP MIAFLEDELK LSRKHAVLWT AAIVFFSAHL VMFLNKSLDE DATA SEQUENCE MDFWAGTIGV VFFGLTELII FFWIFGADKA WEEINRGGII KVPRIYYYVM DATA SEQUENCE RYITPAFLAV LLVVWAREXX XXXXEETHWT VWITRFYIIG LFLFLTFLVF DATA SEQUENCE LAER 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.017 176.094 -0.128 0.000 1.182 3 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 3 V CB 0.000 31.758 31.823 -0.108 0.000 1.184 4 K N 1.242 121.576 120.400 -0.109 0.000 3.407 4 K HA -0.180 5.219 4.320 1.798 0.000 0.312 4 K C 0.209 176.737 176.600 -0.120 0.000 1.302 4 K CA 1.326 57.553 56.287 -0.100 0.000 0.931 4 K CB -1.536 30.921 32.500 -0.071 0.000 1.257 4 K HN 0.940 nan 8.250 nan 0.000 0.454 5 R N -1.326 119.088 120.500 -0.143 0.000 1.516 5 R HA -0.108 5.311 4.340 1.798 0.000 0.427 5 R C -0.351 175.825 176.300 -0.207 0.000 1.308 5 R CA 0.528 56.569 56.100 -0.098 0.000 1.110 5 R CB -0.792 29.485 30.300 -0.039 0.000 3.153 5 R HN 0.335 nan 8.270 nan 0.000 0.525 6 E N 1.256 121.450 120.200 -0.011 0.000 2.392 6 E HA 0.240 5.669 4.350 1.798 0.000 0.259 6 E C -0.233 176.441 176.600 0.123 0.000 1.108 6 E CA -0.041 56.296 56.400 -0.105 0.000 0.916 6 E CB 0.492 30.062 29.700 -0.215 0.000 0.989 6 E HN 0.368 nan 8.360 nan 0.000 0.432 7 H N -0.388 118.611 119.070 -0.119 0.000 2.894 7 H HA 0.138 5.773 4.556 1.798 0.000 0.367 7 H C -0.985 174.244 175.328 -0.165 0.000 1.144 7 H CA -1.222 54.752 56.048 -0.123 0.000 1.180 7 H CB 0.913 30.680 29.762 0.008 0.000 1.758 7 H HN 0.480 nan 8.280 nan 0.000 0.541 8 W N 1.451 122.868 121.300 0.195 0.000 2.409 8 W HA 0.027 5.765 4.660 1.796 0.000 0.338 8 W C 1.210 177.783 176.519 0.091 0.000 1.273 8 W CA 0.121 57.527 57.345 0.103 0.000 1.299 8 W CB 0.325 29.846 29.460 0.102 0.000 1.192 8 W HN 0.759 nan 8.180 nan 0.000 0.565 9 A N 2.665 125.663 122.820 0.296 0.000 1.898 9 A HA -0.010 5.389 4.320 1.798 0.000 0.216 9 A C 1.034 178.718 177.584 0.166 0.000 1.181 9 A CA 1.839 53.982 52.037 0.175 0.000 0.620 9 A CB -0.548 18.525 19.000 0.123 0.000 0.819 9 A HN 0.589 nan 8.150 nan 0.000 0.442 10 T N -5.278 109.383 114.554 0.179 0.000 2.916 10 T HA 0.491 5.920 4.350 1.798 0.000 0.305 10 T C 0.424 175.183 174.700 0.098 0.000 1.119 10 T CA -0.246 61.925 62.100 0.117 0.000 1.008 10 T CB 1.727 70.636 68.868 0.068 0.000 1.129 10 T HN 0.271 nan 8.240 nan 0.000 0.480 11 R N 0.096 120.637 120.500 0.069 0.000 2.136 11 R HA -0.150 5.269 4.340 1.798 0.000 0.242 11 R C 2.153 178.440 176.300 -0.021 0.000 1.131 11 R CA 2.214 58.334 56.100 0.033 0.000 0.937 11 R CB -0.685 29.631 30.300 0.027 0.000 0.863 11 R HN 0.669 nan 8.270 nan 0.000 0.435 12 L N 0.397 121.606 121.223 -0.024 0.000 2.012 12 L HA -0.068 5.351 4.340 1.798 0.000 0.210 12 L C 2.217 179.037 176.870 -0.083 0.000 1.073 12 L CA 2.468 57.275 54.840 -0.055 0.000 0.748 12 L CB -1.056 40.976 42.059 -0.045 0.000 0.891 12 L HN 0.338 nan 8.230 nan 0.000 0.431 13 G N -0.111 108.662 108.800 -0.045 0.000 2.491 13 G HA2 -0.334 4.705 3.960 1.798 0.000 0.218 13 G HA3 -0.334 4.705 3.960 1.798 0.000 0.218 13 G C 1.533 176.317 174.900 -0.195 0.000 1.180 13 G CA 1.159 46.234 45.100 -0.041 0.000 0.774 13 G HN 0.458 nan 8.290 nan 0.000 0.562 14 L N 1.290 122.343 121.223 -0.283 0.000 1.951 14 L HA -0.158 5.261 4.340 1.798 0.000 0.222 14 L C 2.719 179.226 176.870 -0.606 0.000 1.078 14 L CA 1.726 56.065 54.840 -0.834 0.000 0.778 14 L CB -0.861 40.840 42.059 -0.597 0.000 0.893 14 L HN 0.246 nan 8.230 nan 0.000 0.436 15 I N -0.461 119.947 120.570 -0.271 0.000 2.113 15 I HA -0.385 4.864 4.170 1.798 0.000 0.242 15 I C 2.710 178.708 176.117 -0.198 0.000 1.057 15 I CA 2.198 63.409 61.300 -0.148 0.000 1.314 15 I CB -1.191 36.754 38.000 -0.091 0.000 1.022 15 I HN 0.416 nan 8.210 nan 0.000 0.408 16 L N 0.347 121.444 121.223 -0.209 0.000 2.093 16 L HA -0.135 5.284 4.340 1.798 0.000 0.208 16 L C 2.904 179.629 176.870 -0.241 0.000 1.085 16 L CA 1.100 55.825 54.840 -0.191 0.000 0.755 16 L CB -0.692 41.269 42.059 -0.163 0.000 0.904 16 L HN 0.215 nan 8.230 nan 0.000 0.435 17 A N -0.035 122.583 122.820 -0.337 0.000 1.865 17 A HA -0.249 5.150 4.320 1.798 0.000 0.217 17 A C 2.347 179.612 177.584 -0.532 0.000 1.191 17 A CA 1.721 53.520 52.037 -0.397 0.000 0.623 17 A CB -0.470 18.209 19.000 -0.536 0.000 0.826 17 A HN 0.259 nan 8.150 nan 0.000 0.444 18 M N -0.553 118.693 119.600 -0.589 0.000 2.149 18 M HA -0.170 5.389 4.480 1.798 0.000 0.261 18 M C 2.473 178.626 176.300 -0.245 0.000 1.064 18 M CA 1.686 56.711 55.300 -0.458 0.000 1.102 18 M CB -1.292 31.163 32.600 -0.242 0.000 1.369 18 M HN 0.527 nan 8.290 nan 0.000 0.408 19 A N -0.253 122.458 122.820 -0.181 0.000 1.929 19 A HA 0.042 5.441 4.320 1.798 0.000 0.216 19 A C 2.369 179.886 177.584 -0.111 0.000 1.176 19 A CA 1.732 53.703 52.037 -0.111 0.000 0.628 19 A CB -1.272 17.674 19.000 -0.090 0.000 0.816 19 A HN 0.515 nan 8.150 nan 0.000 0.444 20 G N 0.193 108.906 108.800 -0.145 0.000 2.422 20 G HA2 -0.289 4.750 3.960 1.798 0.000 0.218 20 G HA3 -0.289 4.750 3.960 1.798 0.000 0.218 20 G C 1.533 176.368 174.900 -0.108 0.000 1.140 20 G CA 1.092 46.129 45.100 -0.105 0.000 0.775 20 G HN 0.550 nan 8.290 nan 0.000 0.545 21 N N 1.678 120.257 118.700 -0.202 0.000 2.036 21 N HA -0.140 5.679 4.740 1.798 0.000 0.195 21 N C 2.394 177.814 175.510 -0.150 0.000 1.037 21 N CA 1.952 54.891 53.050 -0.185 0.000 0.855 21 N CB -0.421 37.888 38.487 -0.297 0.000 1.033 21 N HN 0.256 nan 8.380 nan 0.000 0.423 22 A N 0.560 123.304 122.820 -0.126 0.000 1.903 22 A HA 0.117 5.516 4.320 1.798 0.000 0.213 22 A C 1.272 178.821 177.584 -0.058 0.000 1.185 22 A CA 0.443 52.418 52.037 -0.103 0.000 0.628 22 A CB -0.361 18.602 19.000 -0.061 0.000 0.830 22 A HN 0.105 nan 8.150 nan 0.000 0.446 23 V N 1.623 121.522 119.914 -0.026 0.000 2.054 23 V HA 0.382 5.582 4.120 1.798 0.000 0.243 23 V C 0.957 177.127 176.094 0.125 0.000 1.480 23 V CA 0.188 62.508 62.300 0.033 0.000 1.440 23 V CB -0.967 30.886 31.823 0.050 0.000 1.489 23 V HN 0.491 nan 8.190 nan 0.000 0.502 24 G N 1.258 110.142 108.800 0.141 0.000 2.971 24 G HA2 0.503 5.543 3.960 1.798 0.000 0.235 24 G HA3 0.503 5.543 3.960 1.798 0.000 0.235 24 G C 0.685 175.784 174.900 0.331 0.000 1.351 24 G CA -0.888 44.351 45.100 0.232 0.000 1.039 24 G HN 0.394 nan 8.290 nan 0.000 0.563 25 L N 0.569 121.977 121.223 0.308 0.000 2.263 25 L HA -0.053 5.366 4.340 1.798 0.000 0.216 25 L C 2.924 180.002 176.870 0.346 0.000 1.111 25 L CA 1.113 56.098 54.840 0.242 0.000 0.773 25 L CB -0.635 41.448 42.059 0.040 0.000 0.906 25 L HN 0.629 nan 8.230 nan 0.000 0.439 26 G N 0.285 109.358 108.800 0.455 0.000 2.433 26 G HA2 -0.253 4.786 3.960 1.798 0.000 0.216 26 G HA3 -0.253 4.786 3.960 1.798 0.000 0.216 26 G C 1.370 176.449 174.900 0.297 0.000 1.186 26 G CA 0.650 46.053 45.100 0.507 0.000 0.779 26 G HN 0.336 nan 8.290 nan 0.000 0.543 27 N N 0.323 119.116 118.700 0.156 0.000 2.205 27 N HA -0.067 5.752 4.740 1.798 0.000 0.186 27 N C 1.657 177.021 175.510 -0.244 0.000 1.015 27 N CA 1.026 53.983 53.050 -0.155 0.000 0.862 27 N CB -0.315 37.917 38.487 -0.425 0.000 0.986 27 N HN 0.427 nan 8.380 nan 0.000 0.429 28 F N -0.520 119.512 119.950 0.137 0.000 2.500 28 F HA 0.305 5.911 4.527 1.798 0.000 0.285 28 F C 2.006 177.931 175.800 0.209 0.000 1.088 28 F CA 0.012 58.111 58.000 0.165 0.000 1.432 28 F CB 0.015 39.039 39.000 0.040 0.000 1.131 28 F HN -0.116 nan 8.300 nan 0.000 0.582 29 L N -0.926 120.486 121.223 0.316 0.000 2.298 29 L HA 0.133 5.552 4.340 1.798 0.000 0.209 29 L C 2.348 179.291 176.870 0.121 0.000 1.084 29 L CA 0.675 55.655 54.840 0.233 0.000 0.816 29 L CB -0.100 42.096 42.059 0.229 0.000 0.967 29 L HN 0.010 nan 8.230 nan 0.000 0.460 30 R N -0.640 119.931 120.500 0.119 0.000 2.102 30 R HA -0.012 5.407 4.340 1.798 0.000 0.208 30 R C 2.300 178.598 176.300 -0.003 0.000 1.131 30 R CA 0.491 56.600 56.100 0.014 0.000 1.054 30 R CB -0.146 30.158 30.300 0.008 0.000 0.954 30 R HN 0.047 nan 8.270 nan 0.000 0.465 31 F N 2.802 122.715 119.950 -0.063 0.000 2.063 31 F HA -0.145 5.460 4.527 1.797 0.000 0.298 31 F C -1.214 174.448 175.800 -0.231 0.000 1.109 31 F CA 1.719 59.634 58.000 -0.142 0.000 1.212 31 F CB -0.879 38.045 39.000 -0.127 0.000 0.973 31 F HN 0.049 nan 8.300 nan 0.000 0.480 32 P HA -0.177 nan 4.420 nan 0.000 0.216 32 P C 2.048 179.169 177.300 -0.297 0.000 1.150 32 P CA 1.924 64.938 63.100 -0.144 0.000 0.843 32 P CB -0.109 31.613 31.700 0.036 0.000 0.787 33 V N -0.195 119.569 119.914 -0.250 0.000 2.379 33 V HA -0.224 4.975 4.120 1.798 0.000 0.245 33 V C 2.557 178.413 176.094 -0.397 0.000 1.044 33 V CA 1.643 63.784 62.300 -0.264 0.000 1.036 33 V CB -1.142 30.563 31.823 -0.197 0.000 0.664 33 V HN 0.134 nan 8.190 nan 0.000 0.453 34 Q N 0.159 119.638 119.800 -0.535 0.000 2.096 34 Q HA -0.183 5.236 4.340 1.798 0.000 0.204 34 Q C 2.451 177.733 176.000 -1.196 0.000 0.982 34 Q CA 1.970 57.315 55.803 -0.763 0.000 0.850 34 Q CB -0.689 27.581 28.738 -0.780 0.000 0.901 34 Q HN 0.642 nan 8.270 nan 0.000 0.422 35 A N 1.183 123.161 122.820 -1.404 0.000 1.877 35 A HA -0.053 5.346 4.320 1.798 0.000 0.216 35 A C 2.245 179.487 177.584 -0.570 0.000 1.186 35 A CA 1.968 53.248 52.037 -1.262 0.000 0.620 35 A CB -0.565 17.814 19.000 -1.034 0.000 0.822 35 A HN 0.371 nan 8.150 nan 0.000 0.443 36 A N -0.962 121.658 122.820 -0.333 0.000 2.178 36 A HA 0.087 5.486 4.320 1.798 0.000 0.211 36 A C 1.854 179.414 177.584 -0.039 0.000 1.157 36 A CA 1.164 53.208 52.037 0.011 0.000 0.780 36 A CB -0.335 18.678 19.000 0.022 0.000 0.828 36 A HN 0.674 nan 8.150 nan 0.000 0.476 37 E N 0.728 120.810 120.200 -0.197 0.000 2.072 37 E HA -0.166 5.263 4.350 1.798 0.000 0.190 37 E C 1.063 177.593 176.600 -0.117 0.000 0.982 37 E CA 1.426 57.731 56.400 -0.158 0.000 0.803 37 E CB -0.145 29.427 29.700 -0.213 0.000 0.755 37 E HN 0.792 nan 8.360 nan 0.000 0.453 38 N N -1.330 117.273 118.700 -0.162 0.000 2.336 38 N HA 0.157 5.976 4.740 1.798 0.000 0.189 38 N C 0.699 176.146 175.510 -0.106 0.000 1.113 38 N CA 0.342 53.325 53.050 -0.112 0.000 0.858 38 N CB 1.251 39.679 38.487 -0.097 0.000 0.970 38 N HN 0.277 nan 8.380 nan 0.000 0.471 39 G N -0.598 108.137 108.800 -0.108 0.000 2.284 39 G HA2 -0.107 4.932 3.960 1.798 0.000 0.201 39 G HA3 -0.107 4.932 3.960 1.798 0.000 0.201 39 G C 0.832 175.390 174.900 -0.570 0.000 0.998 39 G CA -0.261 44.739 45.100 -0.166 0.000 0.651 39 G HN 0.590 nan 8.290 nan 0.000 0.489 40 G N -0.278 108.203 108.800 -0.533 0.000 4.365 40 G HA2 0.020 5.059 3.960 1.798 0.000 0.214 40 G HA3 0.020 5.059 3.960 1.798 0.000 0.214 40 G C 1.985 176.542 174.900 -0.571 0.000 1.450 40 G CA 1.358 45.995 45.100 -0.771 0.000 0.937 40 G HN 1.886 nan 8.290 nan 0.000 0.625 41 G N 0.992 109.446 108.800 -0.577 0.000 2.511 41 G HA2 0.384 5.423 3.960 1.798 0.000 0.217 41 G HA3 0.384 5.423 3.960 1.798 0.000 0.217 41 G C 1.865 176.554 174.900 -0.352 0.000 1.133 41 G CA 2.232 47.087 45.100 -0.409 0.000 0.792 41 G HN 1.678 nan 8.290 nan 0.000 0.539 42 A N -0.114 122.520 122.820 -0.310 0.000 2.119 42 A HA 0.242 5.641 4.320 1.798 0.000 0.217 42 A C 1.912 179.349 177.584 -0.245 0.000 1.153 42 A CA 0.926 52.810 52.037 -0.255 0.000 0.692 42 A CB -0.299 18.590 19.000 -0.185 0.000 0.799 42 A HN 0.372 nan 8.150 nan 0.000 0.458 43 F N -0.602 119.110 119.950 -0.396 0.000 2.243 43 F HA 0.064 5.670 4.527 1.798 0.000 0.287 43 F C 2.068 177.666 175.800 -0.336 0.000 1.067 43 F CA 1.032 58.803 58.000 -0.382 0.000 1.304 43 F CB -0.115 38.629 39.000 -0.427 0.000 1.087 43 F HN 0.033 nan 8.300 nan 0.000 0.513 44 M N 0.594 119.972 119.600 -0.371 0.000 2.255 44 M HA -0.224 5.335 4.480 1.798 0.000 0.259 44 M C 2.015 178.148 176.300 -0.277 0.000 1.071 44 M CA 1.240 56.293 55.300 -0.411 0.000 1.074 44 M CB -1.155 31.076 32.600 -0.614 0.000 1.384 44 M HN 0.201 nan 8.290 nan 0.000 0.415 45 I N -0.124 120.267 120.570 -0.297 0.000 2.206 45 I HA -0.104 5.145 4.170 1.798 0.000 0.239 45 I C -0.418 175.554 176.117 -0.242 0.000 1.078 45 I CA 1.143 62.323 61.300 -0.199 0.000 1.367 45 I CB -2.902 34.984 38.000 -0.190 0.000 1.078 45 I HN 0.097 nan 8.210 nan 0.000 0.413 46 P HA -0.207 nan 4.420 nan 0.000 0.219 46 P C 1.824 178.904 177.300 -0.365 0.000 1.146 46 P CA 1.389 64.064 63.100 -0.709 0.000 0.808 46 P CB -0.245 30.638 31.700 -1.362 0.000 0.779 47 Y N 0.233 120.172 120.300 -0.602 0.000 2.145 47 Y HA -0.186 5.444 4.550 1.799 0.000 0.286 47 Y C 2.122 177.940 175.900 -0.137 0.000 1.145 47 Y CA 1.496 59.306 58.100 -0.483 0.000 1.148 47 Y CB -0.926 37.091 38.460 -0.738 0.000 0.981 47 Y HN -0.185 nan 8.280 nan 0.000 0.507 48 I N -0.360 120.175 120.570 -0.058 0.000 2.179 48 I HA -0.333 4.916 4.170 1.798 0.000 0.242 48 I C 2.301 178.456 176.117 0.062 0.000 1.088 48 I CA 1.565 62.882 61.300 0.028 0.000 1.357 48 I CB -0.407 37.658 38.000 0.108 0.000 1.051 48 I HN 0.232 nan 8.210 nan 0.000 0.409 49 I N 0.773 121.372 120.570 0.048 0.000 2.091 49 I HA -0.359 4.890 4.170 1.798 0.000 0.239 49 I C 2.814 178.926 176.117 -0.009 0.000 1.061 49 I CA 1.647 62.992 61.300 0.074 0.000 1.317 49 I CB -0.599 37.533 38.000 0.221 0.000 1.031 49 I HN 0.204 nan 8.210 nan 0.000 0.401 50 A N 0.498 123.324 122.820 0.010 0.000 1.958 50 A HA -0.310 5.089 4.320 1.798 0.000 0.221 50 A C 2.251 179.761 177.584 -0.123 0.000 1.178 50 A CA 2.073 54.076 52.037 -0.056 0.000 0.642 50 A CB -1.150 17.886 19.000 0.059 0.000 0.816 50 A HN 0.526 nan 8.150 nan 0.000 0.453 51 F N 0.421 120.200 119.950 -0.286 0.000 2.102 51 F HA -0.116 5.491 4.527 1.799 0.000 0.298 51 F C 1.884 177.572 175.800 -0.187 0.000 1.105 51 F CA 1.764 59.588 58.000 -0.293 0.000 1.239 51 F CB -0.388 38.403 39.000 -0.349 0.000 0.991 51 F HN 0.146 nan 8.300 nan 0.000 0.474 52 L N -0.310 120.750 121.223 -0.272 0.000 2.093 52 L HA -0.179 5.240 4.340 1.798 0.000 0.208 52 L C 2.257 179.038 176.870 -0.149 0.000 1.085 52 L CA 0.994 55.678 54.840 -0.258 0.000 0.755 52 L CB -0.535 41.490 42.059 -0.057 0.000 0.904 52 L HN 0.240 nan 8.230 nan 0.000 0.435 53 L N -1.712 119.392 121.223 -0.199 0.000 2.554 53 L HA 0.039 5.458 4.340 1.798 0.000 0.225 53 L C 1.523 178.247 176.870 -0.243 0.000 1.104 53 L CA 0.045 54.746 54.840 -0.231 0.000 0.866 53 L CB 0.621 42.421 42.059 -0.432 0.000 1.047 53 L HN 0.080 nan 8.230 nan 0.000 0.468 54 V N -2.010 117.751 119.914 -0.254 0.000 3.177 54 V HA 0.189 5.388 4.120 1.798 0.000 0.220 54 V C 2.203 178.136 176.094 -0.269 0.000 1.395 54 V CA 0.848 63.019 62.300 -0.215 0.000 1.317 54 V CB -0.051 31.675 31.823 -0.162 0.000 1.148 54 V HN 0.270 nan 8.190 nan 0.000 0.499 55 G N 1.436 110.050 108.800 -0.311 0.000 2.480 55 G HA2 -0.186 4.853 3.960 1.798 0.000 0.216 55 G HA3 -0.186 4.853 3.960 1.798 0.000 0.216 55 G C 1.431 176.064 174.900 -0.446 0.000 1.200 55 G CA 1.465 46.375 45.100 -0.317 0.000 0.782 55 G HN 0.298 nan 8.290 nan 0.000 0.554 56 I N 2.195 122.342 120.570 -0.705 0.000 2.076 56 I HA -0.083 5.166 4.170 1.798 0.000 0.237 56 I C 0.191 175.882 176.117 -0.710 0.000 1.059 56 I CA 1.131 61.872 61.300 -0.933 0.000 1.317 56 I CB -2.208 35.133 38.000 -1.099 0.000 1.037 56 I HN 0.113 nan 8.210 nan 0.000 0.398 57 P HA -0.171 nan 4.420 nan 0.000 0.215 57 P C 2.396 179.692 177.300 -0.005 0.000 1.163 57 P CA 1.508 64.567 63.100 -0.068 0.000 0.894 57 P CB -0.073 31.644 31.700 0.028 0.000 0.791 58 L N -1.780 119.400 121.223 -0.072 0.000 2.042 58 L HA -0.199 5.220 4.340 1.798 0.000 0.210 58 L C 2.646 179.540 176.870 0.040 0.000 1.076 58 L CA 1.656 56.491 54.840 -0.008 0.000 0.749 58 L CB -0.618 41.382 42.059 -0.099 0.000 0.893 58 L HN 0.044 nan 8.230 nan 0.000 0.432 59 M N -1.208 118.354 119.600 -0.063 0.000 2.086 59 M HA -0.256 5.303 4.480 1.798 0.000 0.261 59 M C 2.185 178.616 176.300 0.219 0.000 1.067 59 M CA 1.912 57.241 55.300 0.047 0.000 1.116 59 M CB -0.291 32.241 32.600 -0.114 0.000 1.348 59 M HN 0.184 nan 8.290 nan 0.000 0.407 60 W N 1.054 122.368 121.300 0.023 0.000 2.342 60 W HA -0.145 5.591 4.660 1.794 0.000 0.297 60 W C 2.186 178.810 176.519 0.176 0.000 1.213 60 W CA 1.205 58.558 57.345 0.013 0.000 1.251 60 W CB -1.000 28.404 29.460 -0.094 0.000 1.136 60 W HN 0.337 nan 8.180 nan 0.000 0.526 61 I N 0.162 120.997 120.570 0.442 0.000 2.127 61 I HA -0.317 4.932 4.170 1.798 0.000 0.241 61 I C 2.300 178.491 176.117 0.123 0.000 1.075 61 I CA 1.624 63.156 61.300 0.387 0.000 1.334 61 I CB -0.545 37.715 38.000 0.434 0.000 1.040 61 I HN -0.057 nan 8.210 nan 0.000 0.405 62 E N -0.230 120.080 120.200 0.183 0.000 2.051 62 E HA -0.252 5.178 4.350 1.798 0.000 0.192 62 E C 2.051 178.746 176.600 0.158 0.000 0.991 62 E CA 1.549 58.028 56.400 0.131 0.000 0.799 62 E CB -0.212 29.585 29.700 0.163 0.000 0.748 62 E HN 0.445 nan 8.360 nan 0.000 0.449 63 W N 0.910 122.258 121.300 0.079 0.000 2.321 63 W HA -0.230 5.508 4.660 1.796 0.000 0.306 63 W C 2.563 179.121 176.519 0.065 0.000 1.217 63 W CA 1.579 58.985 57.345 0.101 0.000 1.257 63 W CB -0.599 28.945 29.460 0.141 0.000 1.145 63 W HN 0.113 nan 8.180 nan 0.000 0.509 64 A N -0.505 122.475 122.820 0.266 0.000 1.873 64 A HA -0.189 5.210 4.320 1.798 0.000 0.215 64 A C 1.944 179.494 177.584 -0.056 0.000 1.186 64 A CA 1.965 54.082 52.037 0.134 0.000 0.616 64 A CB -0.847 18.274 19.000 0.202 0.000 0.823 64 A HN 0.261 nan 8.150 nan 0.000 0.442 65 M N -0.424 118.978 119.600 -0.329 0.000 2.159 65 M HA -0.060 5.499 4.480 1.798 0.000 0.263 65 M C 2.279 178.570 176.300 -0.016 0.000 1.063 65 M CA 1.320 56.426 55.300 -0.324 0.000 1.110 65 M CB -0.622 31.738 32.600 -0.399 0.000 1.374 65 M HN 0.485 nan 8.290 nan 0.000 0.411 66 G N 0.359 109.163 108.800 0.007 0.000 2.433 66 G HA2 -0.221 4.818 3.960 1.798 0.000 0.216 66 G HA3 -0.221 4.818 3.960 1.798 0.000 0.216 66 G C 1.644 176.560 174.900 0.027 0.000 1.186 66 G CA 0.756 45.865 45.100 0.017 0.000 0.779 66 G HN 0.387 nan 8.290 nan 0.000 0.543 67 R N -0.998 119.549 120.500 0.079 0.000 2.115 67 R HA -0.079 5.340 4.340 1.798 0.000 0.230 67 R C 2.230 178.576 176.300 0.077 0.000 1.111 67 R CA 1.168 57.314 56.100 0.076 0.000 0.976 67 R CB -0.437 29.948 30.300 0.142 0.000 0.870 67 R HN 0.458 nan 8.270 nan 0.000 0.445 68 Y N 0.152 120.449 120.300 -0.004 0.000 2.145 68 Y HA -0.071 5.557 4.550 1.796 0.000 0.286 68 Y C 2.097 178.001 175.900 0.007 0.000 1.145 68 Y CA 2.002 60.103 58.100 0.002 0.000 1.148 68 Y CB -0.732 37.709 38.460 -0.032 0.000 0.981 68 Y HN 0.109 nan 8.280 nan 0.000 0.507 69 G N -0.633 108.182 108.800 0.025 0.000 2.408 69 G HA2 -0.203 4.836 3.960 1.798 0.000 0.217 69 G HA3 -0.203 4.836 3.960 1.798 0.000 0.217 69 G C 1.894 176.750 174.900 -0.073 0.000 1.150 69 G CA 0.669 45.758 45.100 -0.019 0.000 0.776 69 G HN 0.632 nan 8.290 nan 0.000 0.542 70 G N 1.226 109.974 108.800 -0.087 0.000 2.469 70 G HA2 -0.018 5.021 3.960 1.798 0.000 0.219 70 G HA3 -0.018 5.021 3.960 1.798 0.000 0.219 70 G C 1.993 176.825 174.900 -0.112 0.000 1.150 70 G CA 1.498 46.519 45.100 -0.130 0.000 0.763 70 G HN 0.658 nan 8.290 nan 0.000 0.561 71 A N -0.240 122.509 122.820 -0.118 0.000 2.067 71 A HA 0.045 5.444 4.320 1.798 0.000 0.219 71 A C 2.139 179.655 177.584 -0.114 0.000 1.158 71 A CA 1.478 53.456 52.037 -0.099 0.000 0.661 71 A CB -0.133 18.808 19.000 -0.098 0.000 0.801 71 A HN 0.486 nan 8.150 nan 0.000 0.452 72 Q N -1.917 117.793 119.800 -0.151 0.000 2.219 72 Q HA 0.320 5.739 4.340 1.798 0.000 0.209 72 Q C 0.920 176.780 176.000 -0.234 0.000 0.854 72 Q CA 0.291 56.017 55.803 -0.128 0.000 0.960 72 Q CB 0.541 29.229 28.738 -0.083 0.000 1.116 72 Q HN 0.798 nan 8.270 nan 0.000 0.500 73 G N 0.976 109.614 108.800 -0.270 0.000 2.175 73 G HA2 -0.190 4.849 3.960 1.798 0.000 0.244 73 G HA3 -0.190 4.849 3.960 1.798 0.000 0.244 73 G C -0.214 174.361 174.900 -0.541 0.000 0.982 73 G CA -0.375 44.478 45.100 -0.411 0.000 0.641 73 G HN 0.400 nan 8.290 nan 0.000 0.527 74 H N -0.453 118.557 119.070 -0.100 0.000 2.505 74 H HA 0.583 6.223 4.556 1.808 0.000 0.338 74 H C 0.925 176.192 175.328 -0.102 0.000 1.057 74 H CA 0.063 56.059 56.048 -0.086 0.000 1.202 74 H CB 1.635 31.377 29.762 -0.035 0.000 1.466 74 H HN 0.275 nan 8.280 nan 0.000 0.499 75 G N 1.981 110.775 108.800 -0.010 0.000 3.228 75 G HA2 0.018 5.057 3.960 1.798 0.000 0.245 75 G HA3 0.018 5.057 3.960 1.798 0.000 0.245 75 G C 0.434 175.322 174.900 -0.019 0.000 1.051 75 G CA 0.093 45.135 45.100 -0.097 0.000 0.809 75 G HN 0.599 nan 8.290 nan 0.000 0.531 76 T N -3.120 111.467 114.554 0.054 0.000 2.942 76 T HA 0.466 5.895 4.350 1.798 0.000 0.289 76 T C 1.440 176.166 174.700 0.044 0.000 1.044 76 T CA 0.416 62.554 62.100 0.064 0.000 1.023 76 T CB 1.571 70.519 68.868 0.132 0.000 1.123 76 T HN 0.002 nan 8.240 nan 0.000 0.512 77 T N -2.498 112.032 114.554 -0.039 0.000 3.023 77 T HA 0.145 5.574 4.350 1.798 0.000 0.266 77 T C -1.190 173.395 174.700 -0.192 0.000 1.093 77 T CA 0.331 62.298 62.100 -0.222 0.000 1.129 77 T CB -1.501 67.052 68.868 -0.524 0.000 0.899 77 T HN 0.404 nan 8.240 nan 0.000 0.491 78 P HA 0.085 nan 4.420 nan 0.000 0.216 78 P C 1.783 179.129 177.300 0.077 0.000 1.153 78 P CA 1.438 64.542 63.100 0.006 0.000 0.848 78 P CB -0.286 31.409 31.700 -0.008 0.000 0.787 79 A N -0.956 121.888 122.820 0.040 0.000 1.874 79 A HA -0.095 5.304 4.320 1.798 0.000 0.214 79 A C 2.213 179.836 177.584 0.066 0.000 1.189 79 A CA 1.133 53.127 52.037 -0.073 0.000 0.615 79 A CB -1.512 17.294 19.000 -0.324 0.000 0.830 79 A HN 0.058 nan 8.150 nan 0.000 0.443 80 I N -1.393 119.261 120.570 0.140 0.000 2.142 80 I HA -0.231 5.018 4.170 1.798 0.000 0.240 80 I C 2.239 178.600 176.117 0.407 0.000 1.078 80 I CA 1.215 62.663 61.300 0.247 0.000 1.343 80 I CB -0.389 37.746 38.000 0.225 0.000 1.046 80 I HN 0.245 nan 8.210 nan 0.000 0.405 81 F N 0.191 120.255 119.950 0.190 0.000 2.120 81 F HA -0.292 5.319 4.527 1.807 0.000 0.300 81 F C 2.512 178.501 175.800 0.314 0.000 1.095 81 F CA 1.385 59.537 58.000 0.254 0.000 1.249 81 F CB -1.295 37.883 39.000 0.297 0.000 0.995 81 F HN 0.121 nan 8.300 nan 0.000 0.480 82 Y N 0.092 120.588 120.300 0.327 0.000 2.263 82 Y HA -0.119 5.492 4.550 1.769 0.000 0.292 82 Y C 2.136 178.128 175.900 0.152 0.000 1.130 82 Y CA 1.233 59.432 58.100 0.165 0.000 1.179 82 Y CB -0.446 38.046 38.460 0.052 0.000 0.998 82 Y HN -0.019 nan 8.280 nan 0.000 0.532 83 L N -0.628 120.707 121.223 0.187 0.000 2.083 83 L HA -0.239 5.180 4.340 1.798 0.000 0.209 83 L C 2.170 179.181 176.870 0.234 0.000 1.083 83 L CA 1.317 56.258 54.840 0.168 0.000 0.752 83 L CB -0.513 41.702 42.059 0.260 0.000 0.899 83 L HN 0.272 nan 8.230 nan 0.000 0.433 84 L N -2.579 118.792 121.223 0.247 0.000 2.209 84 L HA -0.061 5.358 4.340 1.798 0.000 0.207 84 L C 0.544 177.686 176.870 0.453 0.000 1.094 84 L CA 0.289 55.279 54.840 0.250 0.000 0.790 84 L CB -0.056 41.969 42.059 -0.058 0.000 0.932 84 L HN 0.304 nan 8.230 nan 0.000 0.447 85 W N 1.594 122.952 121.300 0.096 0.000 2.492 85 W HA 0.340 5.195 4.660 0.324 0.000 0.287 85 W C -0.253 176.232 176.519 -0.057 0.000 1.008 85 W CA -1.304 56.076 57.345 0.060 0.000 1.557 85 W CB 0.462 29.966 29.460 0.074 0.000 1.419 85 W HN -0.214 nan 8.180 nan 0.000 0.408 86 R N 4.760 125.033 120.500 -0.379 0.000 2.543 86 R HA 0.016 5.435 4.340 1.798 0.000 0.348 86 R C -0.495 175.380 176.300 -0.708 0.000 0.981 86 R CA 0.489 56.167 56.100 -0.703 0.000 1.019 86 R CB -0.566 29.487 30.300 -0.413 0.000 0.944 86 R HN 0.602 nan 8.270 nan 0.000 0.425 87 N N 0.131 118.472 118.700 -0.599 0.000 3.521 87 N HA 0.066 5.885 4.740 1.798 0.000 0.228 87 N C 0.206 175.681 175.510 -0.059 0.000 1.328 87 N CA -0.624 52.136 53.050 -0.483 0.000 0.907 87 N CB 0.926 38.610 38.487 -1.339 0.000 1.487 87 N HN 0.283 nan 8.380 nan 0.000 0.503 88 R N 0.534 121.038 120.500 0.006 0.000 2.073 88 R HA 0.086 5.505 4.340 1.798 0.000 0.229 88 R C 1.235 177.648 176.300 0.189 0.000 1.120 88 R CA 1.002 57.161 56.100 0.098 0.000 0.967 88 R CB -0.254 30.111 30.300 0.108 0.000 0.862 88 R HN 0.564 nan 8.270 nan 0.000 0.436 89 F N 1.142 121.123 119.950 0.053 0.000 2.333 89 F HA -0.061 5.426 4.527 1.599 0.000 0.300 89 F C 1.997 178.056 175.800 0.431 0.000 1.083 89 F CA 0.847 58.999 58.000 0.253 0.000 1.395 89 F CB -0.211 39.020 39.000 0.385 0.000 1.056 89 F HN 0.076 nan 8.300 nan 0.000 0.529 90 A N -0.027 123.006 122.820 0.355 0.000 1.873 90 A HA -0.208 5.191 4.320 1.798 0.000 0.215 90 A C 2.298 180.166 177.584 0.473 0.000 1.186 90 A CA 1.752 54.147 52.037 0.596 0.000 0.616 90 A CB -0.563 18.684 19.000 0.411 0.000 0.823 90 A HN 0.361 nan 8.150 nan 0.000 0.442 91 K N -0.422 120.143 120.400 0.276 0.000 2.097 91 K HA -0.047 5.352 4.320 1.798 0.000 0.206 91 K C 1.773 178.420 176.600 0.079 0.000 1.049 91 K CA 1.485 57.853 56.287 0.134 0.000 0.933 91 K CB -0.346 32.140 32.500 -0.023 0.000 0.717 91 K HN 0.556 nan 8.250 nan 0.000 0.442 92 I N 0.904 121.515 120.570 0.068 0.000 2.163 92 I HA -0.284 4.965 4.170 1.798 0.000 0.240 92 I C 2.131 178.302 176.117 0.090 0.000 1.081 92 I CA 1.219 62.521 61.300 0.003 0.000 1.353 92 I CB -0.290 37.678 38.000 -0.052 0.000 1.054 92 I HN 0.097 nan 8.210 nan 0.000 0.407 93 L N 0.631 121.950 121.223 0.159 0.000 2.079 93 L HA -0.158 5.261 4.340 1.798 0.000 0.210 93 L C 2.633 179.853 176.870 0.584 0.000 1.081 93 L CA 1.476 56.601 54.840 0.475 0.000 0.752 93 L CB -1.124 41.212 42.059 0.462 0.000 0.896 93 L HN 0.346 nan 8.230 nan 0.000 0.433 94 G N -0.540 108.468 108.800 0.346 0.000 2.479 94 G HA2 -0.189 4.850 3.960 1.798 0.000 0.220 94 G HA3 -0.189 4.850 3.960 1.798 0.000 0.220 94 G C 1.544 176.384 174.900 -0.099 0.000 1.115 94 G CA 0.774 45.843 45.100 -0.051 0.000 0.757 94 G HN 0.242 nan 8.290 nan 0.000 0.560 95 V N 0.193 120.023 119.914 -0.140 0.000 2.594 95 V HA -0.105 5.094 4.120 1.798 0.000 0.253 95 V C 2.349 178.201 176.094 -0.403 0.000 1.069 95 V CA 1.171 63.204 62.300 -0.444 0.000 1.082 95 V CB -0.606 30.705 31.823 -0.852 0.000 0.680 95 V HN 0.371 nan 8.190 nan 0.000 0.469 96 F N 1.243 121.103 119.950 -0.151 0.000 2.365 96 F HA -0.007 5.585 4.527 1.776 0.000 0.300 96 F C 2.318 177.760 175.800 -0.596 0.000 1.090 96 F CA 1.302 59.174 58.000 -0.213 0.000 1.408 96 F CB -0.803 38.040 39.000 -0.261 0.000 1.060 96 F HN 0.239 nan 8.300 nan 0.000 0.534 97 G N -0.666 107.813 108.800 -0.536 0.000 2.744 97 G HA2 -0.019 5.020 3.960 1.798 0.000 0.211 97 G HA3 -0.019 5.020 3.960 1.798 0.000 0.211 97 G C 1.490 176.295 174.900 -0.159 0.000 1.143 97 G CA 0.344 45.233 45.100 -0.352 0.000 0.788 97 G HN 0.345 nan 8.290 nan 0.000 0.534 98 L N -2.271 118.839 121.223 -0.188 0.000 2.467 98 L HA 0.271 5.690 4.340 1.798 0.000 0.213 98 L C 2.362 179.188 176.870 -0.074 0.000 1.053 98 L CA -0.114 54.619 54.840 -0.178 0.000 0.847 98 L CB -0.129 41.711 42.059 -0.366 0.000 1.075 98 L HN 0.329 nan 8.230 nan 0.000 0.479 99 W N 1.670 122.819 121.300 -0.251 0.000 2.408 99 W HA -0.095 5.646 4.660 1.802 0.000 0.311 99 W C 2.239 178.751 176.519 -0.011 0.000 1.190 99 W CA 1.427 58.692 57.345 -0.134 0.000 1.321 99 W CB -0.156 29.229 29.460 -0.126 0.000 1.143 99 W HN -0.091 nan 8.180 nan 0.000 0.501 100 I N 1.331 121.936 120.570 0.059 0.000 2.151 100 I HA -0.303 4.946 4.170 1.798 0.000 0.243 100 I C -0.558 175.519 176.117 -0.066 0.000 1.080 100 I CA 1.632 62.875 61.300 -0.096 0.000 1.339 100 I CB -2.125 35.837 38.000 -0.063 0.000 1.039 100 I HN -0.027 nan 8.210 nan 0.000 0.409 101 P HA -0.165 nan 4.420 nan 0.000 0.214 101 P C 1.856 179.141 177.300 -0.025 0.000 1.162 101 P CA 1.102 64.230 63.100 0.046 0.000 0.879 101 P CB -0.031 31.691 31.700 0.037 0.000 0.786 102 L N -0.104 121.088 121.223 -0.052 0.000 1.971 102 L HA -0.183 5.236 4.340 1.798 0.000 0.215 102 L C 2.332 179.169 176.870 -0.055 0.000 1.072 102 L CA 2.031 56.850 54.840 -0.035 0.000 0.758 102 L CB -1.433 40.609 42.059 -0.027 0.000 0.889 102 L HN -0.186 nan 8.230 nan 0.000 0.433 103 V N -1.271 118.525 119.914 -0.198 0.000 2.255 103 V HA -0.310 4.889 4.120 1.798 0.000 0.247 103 V C 2.522 178.635 176.094 0.033 0.000 1.051 103 V CA 1.718 63.927 62.300 -0.150 0.000 1.018 103 V CB -0.707 30.827 31.823 -0.483 0.000 0.641 103 V HN 0.354 nan 8.190 nan 0.000 0.445 104 V N 0.470 120.385 119.914 0.002 0.000 2.287 104 V HA -0.310 4.889 4.120 1.798 0.000 0.248 104 V C 2.763 178.651 176.094 -0.343 0.000 1.053 104 V CA 2.142 64.367 62.300 -0.125 0.000 1.027 104 V CB -1.326 30.545 31.823 0.079 0.000 0.646 104 V HN 0.578 nan 8.190 nan 0.000 0.447 105 A N -0.326 122.413 122.820 -0.136 0.000 1.986 105 A HA -0.224 5.175 4.320 1.798 0.000 0.220 105 A C 2.144 179.749 177.584 0.034 0.000 1.171 105 A CA 2.088 54.093 52.037 -0.052 0.000 0.640 105 A CB -0.659 18.340 19.000 -0.002 0.000 0.811 105 A HN 0.572 nan 8.150 nan 0.000 0.451 106 I N -1.386 119.219 120.570 0.058 0.000 2.676 106 I HA -0.212 5.037 4.170 1.798 0.000 0.259 106 I C 2.205 178.447 176.117 0.207 0.000 1.194 106 I CA 1.382 62.781 61.300 0.164 0.000 1.473 106 I CB -0.189 37.930 38.000 0.197 0.000 1.096 106 I HN 0.738 nan 8.210 nan 0.000 0.443 107 Y N -2.787 117.618 120.300 0.175 0.000 2.535 107 Y HA 0.102 5.730 4.550 1.797 0.000 0.266 107 Y C 2.263 178.264 175.900 0.169 0.000 1.088 107 Y CA -0.231 57.962 58.100 0.156 0.000 1.285 107 Y CB -0.995 37.557 38.460 0.153 0.000 1.166 107 Y HN -0.066 nan 8.280 nan 0.000 0.525 108 Y N 1.886 121.957 120.300 -0.381 0.000 2.070 108 Y HA -0.231 5.399 4.550 1.801 0.000 0.280 108 Y C 2.422 178.290 175.900 -0.054 0.000 1.148 108 Y CA 2.552 60.523 58.100 -0.217 0.000 1.125 108 Y CB -0.462 37.834 38.460 -0.274 0.000 0.975 108 Y HN 0.013 nan 8.280 nan 0.000 0.492 109 V N -0.439 119.606 119.914 0.218 0.000 2.568 109 V HA -0.312 4.887 4.120 1.798 0.000 0.253 109 V C 1.910 178.178 176.094 0.290 0.000 1.072 109 V CA 2.006 64.450 62.300 0.240 0.000 1.084 109 V CB -1.180 30.813 31.823 0.283 0.000 0.676 109 V HN 0.531 nan 8.190 nan 0.000 0.469 110 Y N 0.797 121.134 120.300 0.061 0.000 2.163 110 Y HA -0.144 5.484 4.550 1.798 0.000 0.288 110 Y C 2.249 177.790 175.900 -0.599 0.000 1.136 110 Y CA 1.305 59.300 58.100 -0.177 0.000 1.147 110 Y CB -0.309 37.930 38.460 -0.369 0.000 0.987 110 Y HN 0.187 nan 8.280 nan 0.000 0.509 111 I N 0.232 120.226 120.570 -0.960 0.000 2.163 111 I HA -0.321 4.928 4.170 1.798 0.000 0.243 111 I C 2.486 178.200 176.117 -0.673 0.000 1.085 111 I CA 1.977 62.386 61.300 -1.486 0.000 1.347 111 I CB -0.633 36.837 38.000 -0.883 0.000 1.044 111 I HN 0.294 nan 8.210 nan 0.000 0.408 112 E N 1.318 121.300 120.200 -0.363 0.000 2.130 112 E HA -0.293 5.136 4.350 1.798 0.000 0.196 112 E C 2.237 178.913 176.600 0.127 0.000 0.998 112 E CA 2.040 58.382 56.400 -0.096 0.000 0.806 112 E CB -0.003 29.659 29.700 -0.063 0.000 0.738 112 E HN 0.562 nan 8.360 nan 0.000 0.459 113 S N -0.557 115.205 115.700 0.103 0.000 2.423 113 S HA -0.136 5.413 4.470 1.798 0.000 0.231 113 S C 1.613 176.407 174.600 0.322 0.000 1.014 113 S CA 0.690 59.042 58.200 0.253 0.000 0.965 113 S CB -0.574 62.858 63.200 0.388 0.000 0.785 113 S HN 0.399 nan 8.310 nan 0.000 0.495 114 W N 3.051 124.378 121.300 0.044 0.000 2.332 114 W HA -0.059 5.681 4.660 1.800 0.000 0.321 114 W C 3.149 179.881 176.519 0.355 0.000 1.219 114 W CA 1.533 58.935 57.345 0.095 0.000 1.277 114 W CB -1.875 27.531 29.460 -0.090 0.000 1.161 114 W HN 0.596 nan 8.180 nan 0.000 0.476 115 T N -0.103 114.812 114.554 0.602 0.000 2.624 115 T HA -0.306 5.123 4.350 1.798 0.000 0.268 115 T C 1.961 176.801 174.700 0.233 0.000 1.041 115 T CA 1.955 64.295 62.100 0.400 0.000 1.159 115 T CB -1.069 67.964 68.868 0.275 0.000 0.863 115 T HN -0.024 nan 8.240 nan 0.000 0.434 116 L N 2.462 123.731 121.223 0.077 0.000 2.013 116 L HA 0.087 5.506 4.340 1.798 0.000 0.212 116 L C 2.836 179.706 176.870 0.001 0.000 1.073 116 L CA 2.366 57.042 54.840 -0.273 0.000 0.753 116 L CB -1.402 40.323 42.059 -0.556 0.000 0.890 116 L HN 0.474 nan 8.230 nan 0.000 0.432 117 G N -1.549 107.304 108.800 0.089 0.000 2.440 117 G HA2 -0.298 4.741 3.960 1.798 0.000 0.218 117 G HA3 -0.298 4.741 3.960 1.798 0.000 0.218 117 G C 1.464 176.481 174.900 0.195 0.000 1.154 117 G CA 1.018 46.202 45.100 0.140 0.000 0.767 117 G HN 0.443 nan 8.290 nan 0.000 0.552 118 F N 1.659 121.637 119.950 0.046 0.000 2.113 118 F HA 0.094 5.700 4.527 1.798 0.000 0.297 118 F C 3.094 179.099 175.800 0.342 0.000 1.103 118 F CA 0.866 58.913 58.000 0.078 0.000 1.248 118 F CB -0.480 38.132 39.000 -0.647 0.000 0.999 118 F HN 0.232 nan 8.300 nan 0.000 0.475 119 A N 0.894 123.975 122.820 0.435 0.000 1.873 119 A HA -0.226 5.173 4.320 1.798 0.000 0.218 119 A C 2.234 180.182 177.584 0.607 0.000 1.193 119 A CA 2.126 54.486 52.037 0.539 0.000 0.629 119 A CB -1.284 17.906 19.000 0.316 0.000 0.826 119 A HN 0.390 nan 8.150 nan 0.000 0.447 120 I N -0.480 120.341 120.570 0.420 0.000 2.151 120 I HA -0.340 4.909 4.170 1.798 0.000 0.243 120 I C 2.495 178.791 176.117 0.299 0.000 1.080 120 I CA 2.032 63.540 61.300 0.346 0.000 1.339 120 I CB -0.331 37.885 38.000 0.359 0.000 1.039 120 I HN 0.338 nan 8.210 nan 0.000 0.409 121 K N -0.089 120.507 120.400 0.326 0.000 2.148 121 K HA -0.111 5.288 4.320 1.798 0.000 0.204 121 K C 2.077 178.761 176.600 0.142 0.000 1.050 121 K CA 1.286 57.679 56.287 0.176 0.000 0.942 121 K CB -0.176 32.437 32.500 0.190 0.000 0.724 121 K HN 0.142 nan 8.250 nan 0.000 0.446 122 F N 1.186 121.265 119.950 0.215 0.000 2.084 122 F HA -0.194 5.412 4.527 1.799 0.000 0.296 122 F C 2.243 178.118 175.800 0.125 0.000 1.111 122 F CA 0.792 58.924 58.000 0.220 0.000 1.224 122 F CB -0.573 38.663 39.000 0.393 0.000 0.991 122 F HN -0.102 nan 8.300 nan 0.000 0.471 123 L N 0.201 121.580 121.223 0.259 0.000 1.976 123 L HA -0.273 5.146 4.340 1.798 0.000 0.223 123 L C 2.111 178.976 176.870 -0.008 0.000 1.081 123 L CA 1.799 56.595 54.840 -0.074 0.000 0.784 123 L CB -0.990 40.956 42.059 -0.189 0.000 0.896 123 L HN -0.014 nan 8.230 nan 0.000 0.438 124 V N 0.241 120.168 119.914 0.022 0.000 3.444 124 V HA 0.092 5.291 4.120 1.798 0.000 0.271 124 V C 1.509 177.592 176.094 -0.019 0.000 1.188 124 V CA 0.763 63.061 62.300 -0.003 0.000 1.168 124 V CB -1.639 30.182 31.823 -0.002 0.000 0.810 124 V HN 0.791 nan 8.190 nan 0.000 0.500 125 G N 0.896 109.686 108.800 -0.016 0.000 2.350 125 G HA2 -0.275 4.764 3.960 1.798 0.000 0.298 125 G HA3 -0.275 4.764 3.960 1.798 0.000 0.298 125 G C 0.314 175.150 174.900 -0.106 0.000 1.037 125 G CA 0.453 45.513 45.100 -0.067 0.000 1.074 125 G HN 0.529 nan 8.290 nan 0.000 0.511 126 L N -0.236 120.914 121.223 -0.121 0.000 2.791 126 L HA 0.303 5.722 4.340 1.798 0.000 0.239 126 L C 1.440 178.220 176.870 -0.151 0.000 1.203 126 L CA -0.130 54.646 54.840 -0.108 0.000 1.002 126 L CB 0.181 42.187 42.059 -0.090 0.000 1.295 126 L HN 0.458 nan 8.230 nan 0.000 0.504 127 V N -3.505 116.184 119.914 -0.375 0.000 3.211 127 V HA 0.643 5.842 4.120 1.798 0.000 0.319 127 V C -2.407 173.364 176.094 -0.538 0.000 1.096 127 V CA -2.009 59.854 62.300 -0.730 0.000 1.029 127 V CB 0.825 31.898 31.823 -1.251 0.000 1.137 127 V HN -0.021 nan 8.190 nan 0.000 0.453 128 P HA 0.428 nan 4.420 nan 0.000 0.279 128 P C -0.882 176.168 177.300 -0.417 0.000 1.239 128 P CA -0.073 62.692 63.100 -0.558 0.000 0.789 128 P CB 0.408 31.611 31.700 -0.828 0.000 0.933 129 E N 2.601 122.686 120.200 -0.191 0.000 3.568 129 E HA 0.227 5.656 4.350 1.798 0.000 0.213 129 E C -2.129 174.480 176.600 0.014 0.000 1.197 129 E CA -1.529 54.852 56.400 -0.031 0.000 1.126 129 E CB 0.100 29.793 29.700 -0.012 0.000 1.285 129 E HN 0.436 nan 8.360 nan 0.000 0.418 130 P HA -0.009 nan 4.420 nan 0.000 0.269 130 P C -2.338 175.012 177.300 0.084 0.000 1.205 130 P CA -0.632 62.512 63.100 0.074 0.000 0.780 130 P CB -0.056 31.738 31.700 0.156 0.000 0.858 131 P HA 0.334 nan 4.420 nan 0.000 0.289 131 P C -2.601 174.740 177.300 0.068 0.000 1.299 131 P CA -1.719 61.415 63.100 0.057 0.000 0.766 131 P CB -0.980 30.744 31.700 0.039 0.000 1.226 132 P HA 0.291 nan 4.420 nan 0.000 0.287 132 P C -0.598 176.725 177.300 0.038 0.000 1.307 132 P CA 0.125 63.255 63.100 0.051 0.000 0.777 132 P CB 0.130 31.854 31.700 0.040 0.000 0.883 133 N N 2.278 121.002 118.700 0.040 0.000 2.314 133 N HA 0.500 6.319 4.740 1.798 0.000 0.294 133 N C -0.746 174.770 175.510 0.011 0.000 1.029 133 N CA -0.563 52.503 53.050 0.028 0.000 0.845 133 N CB 1.868 40.379 38.487 0.038 0.000 1.321 133 N HN 0.209 nan 8.380 nan 0.000 0.481 134 A N 2.096 124.917 122.820 0.001 0.000 2.793 134 A HA 0.333 5.732 4.320 1.798 0.000 0.301 134 A C 0.803 178.380 177.584 -0.012 0.000 1.172 134 A CA -0.095 51.933 52.037 -0.016 0.000 0.973 134 A CB -0.069 18.919 19.000 -0.021 0.000 1.164 134 A HN 0.681 nan 8.150 nan 0.000 0.542 135 T N -2.482 112.071 114.554 -0.001 0.000 4.643 135 T HA 0.025 5.454 4.350 1.798 0.000 0.307 135 T C -1.034 173.677 174.700 0.017 0.000 0.936 135 T CA 0.602 62.705 62.100 0.004 0.000 0.626 135 T CB -0.204 68.665 68.868 0.003 0.000 0.965 135 T HN 0.193 nan 8.240 nan 0.000 0.670 136 D N 1.308 121.723 120.400 0.025 0.000 2.938 136 D HA 0.421 6.140 4.640 1.798 0.000 0.369 136 D C -1.859 174.475 176.300 0.056 0.000 1.301 136 D CA -1.827 52.196 54.000 0.039 0.000 0.805 136 D CB 1.185 42.007 40.800 0.035 0.000 1.161 136 D HN 0.170 nan 8.370 nan 0.000 0.474 137 P HA -0.154 nan 4.420 nan 0.000 0.217 137 P C 1.112 178.488 177.300 0.125 0.000 1.148 137 P CA 0.918 64.073 63.100 0.091 0.000 0.834 137 P CB 0.402 32.172 31.700 0.116 0.000 0.783 138 D N -0.828 119.636 120.400 0.106 0.000 2.158 138 D HA -0.145 5.574 4.640 1.798 0.000 0.197 138 D C 1.909 178.270 176.300 0.102 0.000 0.995 138 D CA 1.812 55.871 54.000 0.099 0.000 0.846 138 D CB -0.512 40.330 40.800 0.070 0.000 0.941 138 D HN 0.222 nan 8.370 nan 0.000 0.456 139 S N -0.925 114.829 115.700 0.089 0.000 2.522 139 S HA 0.009 5.558 4.470 1.798 0.000 0.227 139 S C 1.998 176.668 174.600 0.118 0.000 0.986 139 S CA 0.203 58.454 58.200 0.085 0.000 0.929 139 S CB -0.206 63.032 63.200 0.063 0.000 0.769 139 S HN 0.287 nan 8.310 nan 0.000 0.529 140 I N 0.142 120.801 120.570 0.149 0.000 3.081 140 I HA 0.137 5.386 4.170 1.798 0.000 0.274 140 I C 2.108 178.413 176.117 0.312 0.000 1.178 140 I CA 0.359 61.785 61.300 0.211 0.000 1.460 140 I CB -0.082 38.017 38.000 0.166 0.000 1.137 140 I HN 0.230 nan 8.210 nan 0.000 0.443 141 L N 0.384 121.752 121.223 0.242 0.000 2.068 141 L HA -0.058 5.361 4.340 1.798 0.000 0.204 141 L C 2.711 179.748 176.870 0.278 0.000 1.076 141 L CA 0.961 55.956 54.840 0.259 0.000 0.753 141 L CB -0.504 41.664 42.059 0.181 0.000 0.910 141 L HN 0.147 nan 8.230 nan 0.000 0.439 142 R N 0.421 121.036 120.500 0.191 0.000 2.136 142 R HA -0.231 5.188 4.340 1.798 0.000 0.242 142 R C -0.422 175.975 176.300 0.161 0.000 1.131 142 R CA 2.503 58.691 56.100 0.146 0.000 0.937 142 R CB -1.325 29.029 30.300 0.091 0.000 0.863 142 R HN 0.207 nan 8.270 nan 0.000 0.435 143 P HA -0.164 nan 4.420 nan 0.000 0.215 143 P C 0.885 178.222 177.300 0.061 0.000 1.157 143 P CA 1.587 64.713 63.100 0.043 0.000 0.874 143 P CB -0.143 31.520 31.700 -0.061 0.000 0.790 144 F N -0.066 119.982 119.950 0.162 0.000 2.186 144 F HA -0.074 5.532 4.527 1.798 0.000 0.299 144 F C 2.485 178.468 175.800 0.304 0.000 1.090 144 F CA 1.331 59.461 58.000 0.218 0.000 1.307 144 F CB -0.663 38.439 39.000 0.169 0.000 1.019 144 F HN -0.175 nan 8.300 nan 0.000 0.489 145 K N 0.815 121.481 120.400 0.444 0.000 2.009 145 K HA -0.235 5.164 4.320 1.798 0.000 0.210 145 K C 1.823 178.747 176.600 0.541 0.000 1.049 145 K CA 2.047 58.612 56.287 0.464 0.000 0.929 145 K CB -0.205 32.509 32.500 0.356 0.000 0.714 145 K HN 0.278 nan 8.250 nan 0.000 0.440 146 E N -0.486 119.911 120.200 0.328 0.000 2.204 146 E HA -0.190 5.239 4.350 1.798 0.000 0.195 146 E C 1.746 178.501 176.600 0.258 0.000 0.990 146 E CA 0.984 57.529 56.400 0.241 0.000 0.821 146 E CB -0.156 29.610 29.700 0.111 0.000 0.750 146 E HN 0.323 nan 8.360 nan 0.000 0.477 147 F N 1.043 121.080 119.950 0.144 0.000 2.146 147 F HA -0.157 5.449 4.527 1.798 0.000 0.298 147 F C 2.008 177.891 175.800 0.138 0.000 1.096 147 F CA 0.901 58.963 58.000 0.103 0.000 1.275 147 F CB -0.029 39.020 39.000 0.082 0.000 1.008 147 F HN 0.014 nan 8.300 nan 0.000 0.480 148 L N -0.412 121.001 121.223 0.317 0.000 2.044 148 L HA -0.158 5.261 4.340 1.798 0.000 0.205 148 L C 2.052 178.838 176.870 -0.140 0.000 1.075 148 L CA 1.870 56.757 54.840 0.078 0.000 0.747 148 L CB -1.413 40.667 42.059 0.034 0.000 0.903 148 L HN 0.198 nan 8.230 nan 0.000 0.435 149 Y N -0.090 120.188 120.300 -0.036 0.000 2.151 149 Y HA -0.254 5.375 4.550 1.799 0.000 0.284 149 Y C 2.774 178.603 175.900 -0.118 0.000 1.166 149 Y CA 1.933 59.987 58.100 -0.076 0.000 1.163 149 Y CB -0.893 37.551 38.460 -0.027 0.000 0.974 149 Y HN 0.221 nan 8.280 nan 0.000 0.511 150 S N -1.388 114.328 115.700 0.026 0.000 2.447 150 S HA -0.194 5.355 4.470 1.798 0.000 0.233 150 S C 1.672 176.162 174.600 -0.184 0.000 1.006 150 S CA 0.946 59.094 58.200 -0.086 0.000 0.957 150 S CB -0.487 62.644 63.200 -0.115 0.000 0.773 150 S HN 0.531 nan 8.310 nan 0.000 0.507 151 Y N 2.328 122.393 120.300 -0.391 0.000 2.243 151 Y HA 0.062 5.691 4.550 1.798 0.000 0.293 151 Y C 1.833 177.474 175.900 -0.430 0.000 1.124 151 Y CA 1.361 59.170 58.100 -0.485 0.000 1.159 151 Y CB -0.018 38.028 38.460 -0.689 0.000 1.008 151 Y HN 0.321 nan 8.280 nan 0.000 0.527 152 I N -3.538 116.838 120.570 -0.324 0.000 3.860 152 I HA 0.435 5.684 4.170 1.798 0.000 0.319 152 I C 1.285 177.270 176.117 -0.220 0.000 1.279 152 I CA 0.662 61.755 61.300 -0.345 0.000 1.220 152 I CB -0.114 37.573 38.000 -0.520 0.000 1.027 152 I HN 0.213 nan 8.210 nan 0.000 0.428 153 G N 2.503 111.203 108.800 -0.167 0.000 2.248 153 G HA2 -0.198 4.841 3.960 1.798 0.000 0.263 153 G HA3 -0.198 4.841 3.960 1.798 0.000 0.263 153 G C 0.036 174.914 174.900 -0.037 0.000 1.082 153 G CA 0.122 45.163 45.100 -0.098 0.000 0.863 153 G HN 0.265 nan 8.290 nan 0.000 0.495 154 V N 1.380 121.305 119.914 0.018 0.000 2.557 154 V HA 0.154 5.353 4.120 1.798 0.000 0.301 154 V C -0.969 175.180 176.094 0.092 0.000 1.026 154 V CA -0.355 62.007 62.300 0.103 0.000 1.137 154 V CB 0.687 32.731 31.823 0.368 0.000 0.917 154 V HN 0.336 nan 8.190 nan 0.000 0.484 155 P HA 0.007 nan 4.420 nan 0.000 0.258 155 P C 0.435 177.751 177.300 0.027 0.000 1.172 155 P CA 0.269 63.391 63.100 0.036 0.000 0.762 155 P CB 0.266 31.985 31.700 0.030 0.000 0.764 156 K N 2.193 122.597 120.400 0.008 0.000 2.323 156 K HA 0.110 5.509 4.320 1.798 0.000 0.197 156 K C 1.578 178.170 176.600 -0.013 0.000 1.043 156 K CA 0.635 56.912 56.287 -0.017 0.000 0.997 156 K CB -0.024 32.461 32.500 -0.025 0.000 0.807 156 K HN 0.509 nan 8.250 nan 0.000 0.497 157 G N 2.226 111.026 108.800 0.000 0.000 2.593 157 G HA2 -0.025 5.014 3.960 1.798 0.000 0.212 157 G HA3 -0.025 5.014 3.960 1.798 0.000 0.212 157 G C 0.424 175.327 174.900 0.005 0.000 1.934 157 G CA 0.578 45.681 45.100 0.004 0.000 0.861 157 G HN 0.237 nan 8.290 nan 0.000 0.629 158 D N -0.540 119.870 120.400 0.016 0.000 2.690 158 D HA 0.026 5.745 4.640 1.798 0.000 0.235 158 D C 0.261 176.575 176.300 0.024 0.000 1.327 158 D CA -0.110 53.897 54.000 0.010 0.000 1.264 158 D CB -0.653 40.156 40.800 0.015 0.000 1.574 158 D HN 0.496 nan 8.370 nan 0.000 0.421 159 E N 4.192 124.427 120.200 0.059 0.000 3.131 159 E HA -0.006 5.423 4.350 1.798 0.000 0.258 159 E C -1.947 174.694 176.600 0.067 0.000 0.901 159 E CA -0.310 56.145 56.400 0.092 0.000 0.964 159 E CB -0.297 29.461 29.700 0.095 0.000 0.903 159 E HN 0.194 nan 8.360 nan 0.000 0.537 160 P HA 0.052 nan 4.420 nan 0.000 0.235 160 P C -0.759 176.563 177.300 0.036 0.000 1.720 160 P CA 0.432 63.559 63.100 0.044 0.000 1.003 160 P CB -0.192 31.563 31.700 0.093 0.000 1.968 161 I N 1.867 122.465 120.570 0.047 0.000 2.447 161 I HA 0.311 5.560 4.170 1.798 0.000 0.287 161 I C 0.567 176.716 176.117 0.054 0.000 1.023 161 I CA -1.216 60.123 61.300 0.065 0.000 1.083 161 I CB 1.854 39.901 38.000 0.079 0.000 1.245 161 I HN -0.032 nan 8.210 nan 0.000 0.434 162 L N 4.857 126.108 121.223 0.047 0.000 2.454 162 L HA 0.492 5.911 4.340 1.798 0.000 0.256 162 L C 0.173 177.025 176.870 -0.030 0.000 1.136 162 L CA -0.707 54.120 54.840 -0.021 0.000 0.804 162 L CB 0.719 42.724 42.059 -0.089 0.000 1.181 162 L HN 0.462 nan 8.230 nan 0.000 0.469 163 K N 1.765 122.102 120.400 -0.106 0.000 2.950 163 K HA 0.361 5.761 4.320 1.798 0.000 0.199 163 K C -2.684 173.804 176.600 -0.188 0.000 1.144 163 K CA -1.424 54.804 56.287 -0.098 0.000 0.983 163 K CB 0.878 33.366 32.500 -0.020 0.000 1.187 163 K HN 0.016 nan 8.250 nan 0.000 0.595 164 P HA -0.023 nan 4.420 nan 0.000 0.266 164 P C -0.504 176.664 177.300 -0.220 0.000 1.193 164 P CA -0.013 62.908 63.100 -0.297 0.000 0.770 164 P CB 0.724 32.223 31.700 -0.334 0.000 0.836 165 S N 2.132 117.664 115.700 -0.279 0.000 2.593 165 S HA 0.072 5.621 4.470 1.798 0.000 0.269 165 S C 1.116 175.648 174.600 -0.114 0.000 1.334 165 S CA -0.556 57.522 58.200 -0.203 0.000 1.015 165 S CB 0.137 63.177 63.200 -0.266 0.000 0.912 165 S HN 0.359 nan 8.310 nan 0.000 0.541 166 L N 1.128 122.330 121.223 -0.036 0.000 2.079 166 L HA 0.031 5.450 4.340 1.798 0.000 0.210 166 L C 1.920 178.841 176.870 0.086 0.000 1.081 166 L CA 1.763 56.625 54.840 0.037 0.000 0.752 166 L CB -1.261 40.822 42.059 0.039 0.000 0.896 166 L HN 0.846 nan 8.230 nan 0.000 0.433 167 F N 0.151 120.036 119.950 -0.107 0.000 2.146 167 F HA -0.088 5.519 4.527 1.799 0.000 0.298 167 F C 2.284 177.985 175.800 -0.165 0.000 1.096 167 F CA 1.329 59.266 58.000 -0.104 0.000 1.275 167 F CB -0.666 38.262 39.000 -0.120 0.000 1.008 167 F HN 0.143 nan 8.300 nan 0.000 0.480 168 A N -0.362 122.176 122.820 -0.469 0.000 1.883 168 A HA -0.279 5.120 4.320 1.798 0.000 0.217 168 A C 2.169 179.651 177.584 -0.171 0.000 1.186 168 A CA 1.878 53.501 52.037 -0.689 0.000 0.624 168 A CB -1.771 16.604 19.000 -1.041 0.000 0.822 168 A HN 0.595 nan 8.150 nan 0.000 0.444 169 Y N 0.181 120.388 120.300 -0.155 0.000 2.145 169 Y HA -0.183 5.446 4.550 1.799 0.000 0.286 169 Y C 2.108 178.073 175.900 0.108 0.000 1.145 169 Y CA 1.949 60.062 58.100 0.022 0.000 1.148 169 Y CB -0.217 38.256 38.460 0.021 0.000 0.981 169 Y HN 0.268 nan 8.280 nan 0.000 0.507 170 I N -1.241 119.420 120.570 0.152 0.000 2.286 170 I HA -0.292 4.957 4.170 1.798 0.000 0.248 170 I C 2.140 178.219 176.117 -0.064 0.000 1.115 170 I CA 1.036 62.374 61.300 0.064 0.000 1.392 170 I CB -0.367 37.665 38.000 0.053 0.000 1.065 170 I HN 0.073 nan 8.210 nan 0.000 0.418 171 V N 0.408 120.207 119.914 -0.192 0.000 2.515 171 V HA -0.281 4.918 4.120 1.798 0.000 0.250 171 V C 2.197 178.306 176.094 0.025 0.000 1.058 171 V CA 1.583 63.770 62.300 -0.188 0.000 1.064 171 V CB -0.652 30.945 31.823 -0.377 0.000 0.675 171 V HN 0.379 nan 8.190 nan 0.000 0.461 172 F N 0.328 120.239 119.950 -0.065 0.000 2.134 172 F HA -0.153 5.453 4.527 1.797 0.000 0.299 172 F C 1.959 177.770 175.800 0.018 0.000 1.097 172 F CA 1.484 59.493 58.000 0.015 0.000 1.264 172 F CB -0.346 38.642 39.000 -0.020 0.000 1.001 172 F HN 0.048 nan 8.300 nan 0.000 0.479 173 L N -0.003 121.141 121.223 -0.131 0.000 1.989 173 L HA -0.274 5.145 4.340 1.798 0.000 0.211 173 L C 2.514 179.297 176.870 -0.145 0.000 1.071 173 L CA 1.772 56.485 54.840 -0.211 0.000 0.749 173 L CB -0.667 41.323 42.059 -0.114 0.000 0.890 173 L HN 0.131 nan 8.230 nan 0.000 0.431 174 I N -0.945 119.580 120.570 -0.075 0.000 2.118 174 I HA -0.370 4.879 4.170 1.798 0.000 0.241 174 I C 2.438 178.595 176.117 0.067 0.000 1.070 174 I CA 1.910 63.207 61.300 -0.005 0.000 1.327 174 I CB -0.839 37.144 38.000 -0.027 0.000 1.034 174 I HN 0.326 nan 8.210 nan 0.000 0.405 175 T N 0.808 115.378 114.554 0.028 0.000 2.720 175 T HA -0.192 5.237 4.350 1.798 0.000 0.268 175 T C 1.953 176.646 174.700 -0.012 0.000 1.037 175 T CA 1.345 63.496 62.100 0.085 0.000 1.144 175 T CB -0.160 68.797 68.868 0.148 0.000 0.864 175 T HN 0.176 nan 8.240 nan 0.000 0.444 176 M N 0.334 119.829 119.600 -0.175 0.000 2.117 176 M HA 0.028 5.588 4.480 1.798 0.000 0.262 176 M C 2.123 178.368 176.300 -0.091 0.000 1.065 176 M CA 1.283 56.465 55.300 -0.197 0.000 1.114 176 M CB -1.186 31.197 32.600 -0.361 0.000 1.361 176 M HN 0.293 nan 8.290 nan 0.000 0.408 177 F N 1.226 121.068 119.950 -0.180 0.000 2.134 177 F HA -0.192 5.415 4.527 1.799 0.000 0.299 177 F C 2.114 177.857 175.800 -0.095 0.000 1.097 177 F CA 1.488 59.406 58.000 -0.136 0.000 1.264 177 F CB -0.312 38.616 39.000 -0.121 0.000 1.001 177 F HN 0.012 nan 8.300 nan 0.000 0.479 178 I N 0.442 120.995 120.570 -0.028 0.000 2.226 178 I HA -0.346 4.903 4.170 1.798 0.000 0.245 178 I C 2.235 178.212 176.117 -0.234 0.000 1.100 178 I CA 1.428 62.660 61.300 -0.114 0.000 1.374 178 I CB -0.744 37.301 38.000 0.075 0.000 1.057 178 I HN 0.250 nan 8.210 nan 0.000 0.413 179 N N 0.660 119.256 118.700 -0.173 0.000 2.069 179 N HA -0.157 5.662 4.740 1.798 0.000 0.191 179 N C 1.968 177.355 175.510 -0.206 0.000 1.031 179 N CA 1.484 54.428 53.050 -0.176 0.000 0.852 179 N CB -0.166 38.261 38.487 -0.100 0.000 1.018 179 N HN 0.177 nan 8.380 nan 0.000 0.423 180 V N 1.722 121.493 119.914 -0.238 0.000 2.295 180 V HA -0.220 4.979 4.120 1.798 0.000 0.246 180 V C 2.662 178.564 176.094 -0.318 0.000 1.049 180 V CA 2.030 64.180 62.300 -0.250 0.000 1.024 180 V CB -0.786 30.883 31.823 -0.256 0.000 0.648 180 V HN 0.443 nan 8.190 nan 0.000 0.447 181 S N 0.001 115.406 115.700 -0.491 0.000 2.383 181 S HA -0.180 5.369 4.470 1.798 0.000 0.229 181 S C 1.918 176.357 174.600 -0.269 0.000 1.030 181 S CA 1.800 59.730 58.200 -0.449 0.000 1.002 181 S CB -0.627 62.222 63.200 -0.584 0.000 0.829 181 S HN 0.543 nan 8.310 nan 0.000 0.467 182 I N 1.232 121.641 120.570 -0.268 0.000 2.141 182 I HA -0.088 5.161 4.170 1.798 0.000 0.236 182 I C 2.503 178.532 176.117 -0.147 0.000 1.071 182 I CA 1.169 62.340 61.300 -0.215 0.000 1.345 182 I CB -0.421 37.393 38.000 -0.311 0.000 1.066 182 I HN 0.251 nan 8.210 nan 0.000 0.406 183 L N 0.376 121.513 121.223 -0.144 0.000 2.127 183 L HA -0.213 5.206 4.340 1.798 0.000 0.211 183 L C 2.413 179.219 176.870 -0.108 0.000 1.089 183 L CA 1.275 56.050 54.840 -0.108 0.000 0.757 183 L CB -0.342 41.662 42.059 -0.092 0.000 0.899 183 L HN 0.290 nan 8.230 nan 0.000 0.434 184 I N -0.171 120.325 120.570 -0.123 0.000 3.334 184 I HA -0.173 5.076 4.170 1.798 0.000 0.282 184 I C 1.907 177.963 176.117 -0.102 0.000 1.313 184 I CA 0.654 61.888 61.300 -0.112 0.000 1.396 184 I CB -0.186 37.737 38.000 -0.128 0.000 1.054 184 I HN 0.262 nan 8.210 nan 0.000 0.495 185 R N 0.281 120.722 120.500 -0.098 0.000 2.335 185 R HA 0.324 5.743 4.340 1.798 0.000 0.210 185 R C 0.888 177.133 176.300 -0.093 0.000 0.892 185 R CA 0.566 56.617 56.100 -0.082 0.000 1.048 185 R CB 0.674 30.936 30.300 -0.062 0.000 1.067 185 R HN 0.388 nan 8.270 nan 0.000 0.524 186 G N 1.276 110.006 108.800 -0.116 0.000 2.526 186 G HA2 -0.211 4.828 3.960 1.798 0.000 0.250 186 G HA3 -0.211 4.828 3.960 1.798 0.000 0.250 186 G C 0.406 175.174 174.900 -0.220 0.000 1.289 186 G CA -0.556 44.442 45.100 -0.170 0.000 0.947 186 G HN -0.085 nan 8.290 nan 0.000 0.517 187 I N 1.298 121.628 120.570 -0.399 0.000 2.072 187 I HA -0.115 5.134 4.170 1.798 0.000 0.235 187 I C 3.257 179.238 176.117 -0.227 0.000 1.058 187 I CA 3.046 64.011 61.300 -0.559 0.000 1.320 187 I CB -1.891 35.378 38.000 -1.218 0.000 1.047 187 I HN 0.939 nan 8.210 nan 0.000 0.397 188 S N 1.328 116.916 115.700 -0.186 0.000 2.329 188 S HA -0.128 5.421 4.470 1.798 0.000 0.215 188 S C 1.813 176.427 174.600 0.022 0.000 1.031 188 S CA 0.705 58.902 58.200 -0.004 0.000 0.985 188 S CB -0.681 62.516 63.200 -0.005 0.000 0.917 188 S HN 0.358 nan 8.310 nan 0.000 0.441 189 K N 1.557 121.946 120.400 -0.018 0.000 2.555 189 K HA 0.165 5.564 4.320 1.798 0.000 0.193 189 K C 1.414 178.020 176.600 0.010 0.000 1.032 189 K CA 0.546 56.833 56.287 -0.001 0.000 1.004 189 K CB -0.090 32.398 32.500 -0.020 0.000 0.804 189 K HN 0.608 nan 8.250 nan 0.000 0.496 190 G N 0.392 109.199 108.800 0.012 0.000 2.467 190 G HA2 0.031 5.070 3.960 1.798 0.000 0.178 190 G HA3 0.031 5.070 3.960 1.798 0.000 0.178 190 G C 1.117 176.074 174.900 0.095 0.000 1.461 190 G CA -0.365 44.748 45.100 0.022 0.000 0.675 190 G HN 0.012 nan 8.290 nan 0.000 0.659 191 I N 1.080 121.707 120.570 0.095 0.000 2.286 191 I HA -0.104 5.145 4.170 1.798 0.000 0.248 191 I C 2.603 178.891 176.117 0.286 0.000 1.115 191 I CA 1.512 62.943 61.300 0.218 0.000 1.392 191 I CB -0.023 38.149 38.000 0.286 0.000 1.065 191 I HN 0.350 nan 8.210 nan 0.000 0.418 192 E N 0.967 121.332 120.200 0.275 0.000 2.051 192 E HA -0.198 5.231 4.350 1.798 0.000 0.189 192 E C 2.423 179.109 176.600 0.142 0.000 0.979 192 E CA 0.550 57.104 56.400 0.258 0.000 0.803 192 E CB 0.050 29.942 29.700 0.319 0.000 0.761 192 E HN 0.225 nan 8.360 nan 0.000 0.451 193 R N -0.240 120.338 120.500 0.131 0.000 2.103 193 R HA -0.195 5.224 4.340 1.798 0.000 0.242 193 R C 2.280 178.647 176.300 0.112 0.000 1.142 193 R CA 1.679 57.839 56.100 0.101 0.000 0.960 193 R CB -0.394 29.966 30.300 0.099 0.000 0.858 193 R HN 0.228 nan 8.270 nan 0.000 0.439 194 F N 0.764 120.722 119.950 0.014 0.000 2.186 194 F HA -0.059 5.546 4.527 1.798 0.000 0.299 194 F C 2.122 177.886 175.800 -0.060 0.000 1.090 194 F CA 1.138 59.133 58.000 -0.008 0.000 1.307 194 F CB -0.403 38.605 39.000 0.013 0.000 1.019 194 F HN 0.061 nan 8.300 nan 0.000 0.489 195 A N 0.418 123.187 122.820 -0.085 0.000 1.877 195 A HA -0.222 5.177 4.320 1.798 0.000 0.216 195 A C 2.265 179.689 177.584 -0.266 0.000 1.186 195 A CA 1.863 53.774 52.037 -0.209 0.000 0.620 195 A CB -0.719 18.221 19.000 -0.100 0.000 0.822 195 A HN 0.425 nan 8.150 nan 0.000 0.443 196 K N -0.735 119.562 120.400 -0.170 0.000 2.211 196 K HA -0.064 5.335 4.320 1.798 0.000 0.204 196 K C 1.644 178.124 176.600 -0.200 0.000 1.047 196 K CA 1.438 57.635 56.287 -0.151 0.000 0.935 196 K CB -0.281 32.172 32.500 -0.078 0.000 0.728 196 K HN 0.583 nan 8.250 nan 0.000 0.452 197 I N -0.107 120.294 120.570 -0.282 0.000 2.494 197 I HA -0.108 5.141 4.170 1.798 0.000 0.250 197 I C 2.341 178.142 176.117 -0.527 0.000 1.112 197 I CA 0.497 61.609 61.300 -0.314 0.000 1.438 197 I CB -0.075 37.774 38.000 -0.251 0.000 1.111 197 I HN 0.056 nan 8.210 nan 0.000 0.431 198 A N 0.765 123.064 122.820 -0.868 0.000 1.898 198 A HA -0.101 5.298 4.320 1.798 0.000 0.214 198 A C 2.310 179.508 177.584 -0.644 0.000 1.183 198 A CA 1.044 52.371 52.037 -1.183 0.000 0.622 198 A CB -0.279 17.742 19.000 -1.633 0.000 0.824 198 A HN 0.185 nan 8.150 nan 0.000 0.444 199 M N -0.444 118.907 119.600 -0.415 0.000 2.099 199 M HA -0.046 5.513 4.480 1.798 0.000 0.262 199 M C -0.351 175.881 176.300 -0.114 0.000 1.067 199 M CA 1.470 56.641 55.300 -0.215 0.000 1.124 199 M CB -2.476 30.020 32.600 -0.174 0.000 1.353 199 M HN 0.117 nan 8.290 nan 0.000 0.410 200 P HA -0.102 nan 4.420 nan 0.000 0.214 200 P C 1.588 178.908 177.300 0.033 0.000 1.163 200 P CA 1.635 64.698 63.100 -0.062 0.000 0.883 200 P CB -0.345 31.293 31.700 -0.104 0.000 0.788 201 T N 0.212 114.725 114.554 -0.068 0.000 2.635 201 T HA -0.210 5.220 4.350 1.798 0.000 0.267 201 T C 1.758 176.502 174.700 0.073 0.000 1.040 201 T CA 1.253 63.352 62.100 -0.001 0.000 1.156 201 T CB -1.109 67.701 68.868 -0.096 0.000 0.863 201 T HN 0.059 nan 8.240 nan 0.000 0.430 202 L N -0.029 121.194 121.223 -0.001 0.000 2.042 202 L HA -0.088 5.331 4.340 1.798 0.000 0.210 202 L C 2.237 179.169 176.870 0.103 0.000 1.076 202 L CA 1.571 56.436 54.840 0.042 0.000 0.749 202 L CB -0.363 41.686 42.059 -0.017 0.000 0.893 202 L HN 0.279 nan 8.230 nan 0.000 0.432 203 F N 0.489 120.440 119.950 0.001 0.000 2.075 203 F HA -0.270 5.336 4.527 1.798 0.000 0.297 203 F C 2.095 177.931 175.800 0.061 0.000 1.113 203 F CA 2.047 60.068 58.000 0.035 0.000 1.218 203 F CB -0.233 38.769 39.000 0.005 0.000 0.984 203 F HN -0.024 nan 8.300 nan 0.000 0.472 204 I N 0.261 120.957 120.570 0.210 0.000 2.179 204 I HA -0.329 4.920 4.170 1.798 0.000 0.242 204 I C 2.392 178.529 176.117 0.033 0.000 1.088 204 I CA 1.389 62.753 61.300 0.106 0.000 1.357 204 I CB -0.640 37.483 38.000 0.205 0.000 1.051 204 I HN 0.210 nan 8.210 nan 0.000 0.409 205 L N 0.516 121.773 121.223 0.056 0.000 1.990 205 L HA -0.284 5.135 4.340 1.798 0.000 0.213 205 L C 2.861 179.771 176.870 0.066 0.000 1.072 205 L CA 1.675 56.548 54.840 0.056 0.000 0.755 205 L CB -0.878 41.211 42.059 0.051 0.000 0.889 205 L HN 0.282 nan 8.230 nan 0.000 0.432 206 A N -0.366 122.449 122.820 -0.009 0.000 1.865 206 A HA -0.179 5.220 4.320 1.798 0.000 0.217 206 A C 2.354 179.921 177.584 -0.028 0.000 1.191 206 A CA 2.099 54.142 52.037 0.010 0.000 0.623 206 A CB -1.018 18.011 19.000 0.048 0.000 0.826 206 A HN 0.178 nan 8.150 nan 0.000 0.444 207 V N -1.069 118.711 119.914 -0.223 0.000 2.255 207 V HA -0.283 4.916 4.120 1.798 0.000 0.247 207 V C 2.271 178.338 176.094 -0.045 0.000 1.051 207 V CA 2.343 64.506 62.300 -0.228 0.000 1.018 207 V CB -1.045 30.506 31.823 -0.454 0.000 0.641 207 V HN 0.626 nan 8.190 nan 0.000 0.445 208 F N 0.294 120.183 119.950 -0.101 0.000 2.045 208 F HA -0.298 5.308 4.527 1.798 0.000 0.297 208 F C 2.154 177.946 175.800 -0.013 0.000 1.114 208 F CA 2.124 60.106 58.000 -0.030 0.000 1.207 208 F CB -0.393 38.609 39.000 0.004 0.000 0.964 208 F HN 0.023 nan 8.300 nan 0.000 0.486 209 L N -0.699 120.612 121.223 0.145 0.000 2.042 209 L HA -0.253 5.166 4.340 1.798 0.000 0.210 209 L C 2.400 179.255 176.870 -0.026 0.000 1.076 209 L CA 1.155 56.015 54.840 0.034 0.000 0.749 209 L CB -0.811 41.325 42.059 0.127 0.000 0.893 209 L HN 0.096 nan 8.230 nan 0.000 0.432 210 V N 0.264 120.181 119.914 0.005 0.000 2.255 210 V HA -0.346 4.853 4.120 1.798 0.000 0.247 210 V C 2.317 178.404 176.094 -0.012 0.000 1.051 210 V CA 2.135 64.443 62.300 0.014 0.000 1.018 210 V CB -0.300 31.519 31.823 -0.007 0.000 0.641 210 V HN 0.300 nan 8.190 nan 0.000 0.445 211 I N -0.409 120.106 120.570 -0.092 0.000 2.127 211 I HA -0.286 4.963 4.170 1.798 0.000 0.241 211 I C 2.723 178.791 176.117 -0.083 0.000 1.075 211 I CA 1.954 63.193 61.300 -0.101 0.000 1.334 211 I CB -0.338 37.562 38.000 -0.167 0.000 1.040 211 I HN 0.233 nan 8.210 nan 0.000 0.405 212 R N 0.646 120.992 120.500 -0.257 0.000 2.115 212 R HA -0.091 5.328 4.340 1.798 0.000 0.230 212 R C 1.944 178.204 176.300 -0.067 0.000 1.111 212 R CA 1.388 57.335 56.100 -0.255 0.000 0.976 212 R CB -0.710 29.292 30.300 -0.497 0.000 0.870 212 R HN 0.173 nan 8.270 nan 0.000 0.445 213 V N 0.496 120.403 119.914 -0.010 0.000 2.548 213 V HA -0.139 5.060 4.120 1.798 0.000 0.249 213 V C 1.873 178.023 176.094 0.093 0.000 1.055 213 V CA 1.579 63.917 62.300 0.062 0.000 1.065 213 V CB -0.658 31.206 31.823 0.069 0.000 0.681 213 V HN 0.294 nan 8.190 nan 0.000 0.462 214 F N 0.699 120.630 119.950 -0.033 0.000 2.126 214 F HA -0.187 5.419 4.527 1.798 0.000 0.299 214 F C 1.859 177.647 175.800 -0.019 0.000 1.096 214 F CA 1.666 59.653 58.000 -0.022 0.000 1.255 214 F CB -0.167 38.811 39.000 -0.037 0.000 0.997 214 F HN 0.077 nan 8.300 nan 0.000 0.479 215 L N 0.248 121.480 121.223 0.014 0.000 2.622 215 L HA -0.043 5.376 4.340 1.798 0.000 0.233 215 L C 0.641 177.460 176.870 -0.086 0.000 1.156 215 L CA -0.116 54.685 54.840 -0.064 0.000 0.866 215 L CB -0.741 41.320 42.059 0.004 0.000 0.980 215 L HN 0.004 nan 8.230 nan 0.000 0.448 216 L N 1.227 122.415 121.223 -0.058 0.000 2.490 216 L HA 0.065 5.484 4.340 1.798 0.000 0.274 216 L C 0.266 177.080 176.870 -0.093 0.000 1.201 216 L CA 0.677 55.511 54.840 -0.010 0.000 0.869 216 L CB 0.507 42.620 42.059 0.090 0.000 1.123 216 L HN 0.200 nan 8.230 nan 0.000 0.484 217 E N 2.077 122.205 120.200 -0.120 0.000 2.388 217 E HA 0.365 5.794 4.350 1.798 0.000 0.289 217 E C -1.236 175.203 176.600 -0.268 0.000 0.944 217 E CA -0.495 55.797 56.400 -0.180 0.000 0.792 217 E CB 1.885 31.494 29.700 -0.151 0.000 1.239 217 E HN 0.641 nan 8.360 nan 0.000 0.412 218 T N 0.274 114.628 114.554 -0.333 0.000 2.831 218 T HA 0.520 5.949 4.350 1.798 0.000 0.287 218 T C -2.167 172.372 174.700 -0.269 0.000 1.070 218 T CA -1.493 60.364 62.100 -0.405 0.000 1.010 218 T CB 1.275 69.705 68.868 -0.730 0.000 1.264 218 T HN 0.193 nan 8.240 nan 0.000 0.532 219 P HA 0.062 nan 4.420 nan 0.000 0.221 219 P C 0.916 178.125 177.300 -0.152 0.000 1.145 219 P CA 0.741 63.741 63.100 -0.166 0.000 0.795 219 P CB 0.012 31.623 31.700 -0.148 0.000 0.775 220 N N -1.223 117.363 118.700 -0.190 0.000 2.325 220 N HA 0.164 5.983 4.740 1.798 0.000 0.182 220 N C 1.072 176.514 175.510 -0.113 0.000 1.088 220 N CA 0.848 53.812 53.050 -0.143 0.000 0.879 220 N CB 0.796 39.187 38.487 -0.160 0.000 0.983 220 N HN 0.156 nan 8.380 nan 0.000 0.471 221 G N -0.704 108.016 108.800 -0.134 0.000 2.333 221 G HA2 0.275 5.314 3.960 1.798 0.000 0.288 221 G HA3 0.275 5.314 3.960 1.798 0.000 0.288 221 G C -1.524 173.305 174.900 -0.119 0.000 1.286 221 G CA -0.295 44.745 45.100 -0.101 0.000 0.865 221 G HN 0.130 nan 8.290 nan 0.000 0.506 222 T N -3.043 111.453 114.554 -0.096 0.000 2.896 222 T HA 0.729 6.158 4.350 1.798 0.000 0.297 222 T C 1.401 176.044 174.700 -0.096 0.000 1.108 222 T CA 0.659 62.688 62.100 -0.119 0.000 1.004 222 T CB 1.604 70.384 68.868 -0.148 0.000 1.159 222 T HN 2.041 nan 8.240 nan 0.000 0.499 223 A N 1.415 124.161 122.820 -0.122 0.000 1.948 223 A HA 0.147 5.546 4.320 1.798 0.000 0.220 223 A C 2.592 180.140 177.584 -0.059 0.000 1.177 223 A CA 2.345 54.336 52.037 -0.076 0.000 0.636 223 A CB -1.555 17.389 19.000 -0.094 0.000 0.815 223 A HN 1.481 nan 8.150 nan 0.000 0.449 224 A N 0.375 123.086 122.820 -0.182 0.000 1.903 224 A HA -0.284 5.115 4.320 1.798 0.000 0.219 224 A C 1.717 179.327 177.584 0.044 0.000 1.191 224 A CA 2.144 54.139 52.037 -0.070 0.000 0.638 224 A CB -0.762 18.152 19.000 -0.144 0.000 0.823 224 A HN 0.511 nan 8.150 nan 0.000 0.451 225 D N -0.481 119.927 120.400 0.013 0.000 2.182 225 D HA -0.077 5.642 4.640 1.798 0.000 0.201 225 D C 2.005 178.370 176.300 0.108 0.000 0.986 225 D CA 1.383 55.414 54.000 0.052 0.000 0.847 225 D CB -0.757 40.048 40.800 0.009 0.000 0.942 225 D HN 0.475 nan 8.370 nan 0.000 0.467 226 G N 0.770 109.623 108.800 0.089 0.000 2.404 226 G HA2 -0.170 4.869 3.960 1.798 0.000 0.215 226 G HA3 -0.170 4.869 3.960 1.798 0.000 0.215 226 G C 1.772 176.829 174.900 0.261 0.000 1.174 226 G CA 0.204 45.381 45.100 0.129 0.000 0.780 226 G HN 0.245 nan 8.290 nan 0.000 0.537 227 L N 0.497 121.878 121.223 0.264 0.000 2.042 227 L HA -0.125 5.295 4.340 1.798 0.000 0.210 227 L C 2.800 179.916 176.870 0.410 0.000 1.076 227 L CA 0.939 56.009 54.840 0.384 0.000 0.749 227 L CB -0.508 41.741 42.059 0.317 0.000 0.893 227 L HN 0.137 nan 8.230 nan 0.000 0.432 228 N N 0.211 119.078 118.700 0.279 0.000 2.043 228 N HA -0.258 5.561 4.740 1.798 0.000 0.193 228 N C 1.744 177.388 175.510 0.224 0.000 1.037 228 N CA 1.625 54.815 53.050 0.232 0.000 0.851 228 N CB -0.534 38.053 38.487 0.167 0.000 1.027 228 N HN 0.281 nan 8.380 nan 0.000 0.422 229 F N 1.044 121.038 119.950 0.073 0.000 2.161 229 F HA -0.140 5.466 4.527 1.798 0.000 0.300 229 F C 1.931 177.713 175.800 -0.029 0.000 1.089 229 F CA 0.892 58.901 58.000 0.015 0.000 1.282 229 F CB -0.152 38.844 39.000 -0.005 0.000 1.010 229 F HN -0.064 nan 8.300 nan 0.000 0.485 230 L N -1.057 120.186 121.223 0.032 0.000 2.044 230 L HA -0.110 5.309 4.340 1.798 0.000 0.205 230 L C 1.303 177.908 176.870 -0.440 0.000 1.075 230 L CA 1.740 56.414 54.840 -0.277 0.000 0.747 230 L CB -1.245 40.708 42.059 -0.177 0.000 0.903 230 L HN 0.279 nan 8.230 nan 0.000 0.435 231 W N -1.723 119.555 121.300 -0.038 0.000 3.239 231 W HA 0.245 5.984 4.660 1.798 0.000 0.348 231 W C 0.427 176.918 176.519 -0.048 0.000 1.183 231 W CA -0.176 57.151 57.345 -0.030 0.000 1.819 231 W CB -0.106 29.363 29.460 0.015 0.000 1.091 231 W HN -0.206 nan 8.180 nan 0.000 0.629 232 T N 2.607 117.199 114.554 0.063 0.000 2.762 232 T HA 0.255 5.684 4.350 1.798 0.000 0.303 232 T C -2.195 172.443 174.700 -0.104 0.000 0.977 232 T CA -1.453 60.659 62.100 0.020 0.000 0.961 232 T CB 0.989 69.880 68.868 0.039 0.000 0.944 232 T HN -0.421 nan 8.240 nan 0.000 0.481 233 P HA 0.210 nan 4.420 nan 0.000 0.270 233 P C -0.472 176.635 177.300 -0.322 0.000 1.227 233 P CA -0.206 62.676 63.100 -0.362 0.000 0.788 233 P CB 0.484 31.820 31.700 -0.607 0.000 0.926 234 D N 0.643 120.792 120.400 -0.417 0.000 2.429 234 D HA 0.164 5.883 4.640 1.798 0.000 0.255 234 D C -0.019 176.182 176.300 -0.165 0.000 1.257 234 D CA -0.382 53.502 54.000 -0.193 0.000 0.890 234 D CB -0.348 40.366 40.800 -0.142 0.000 1.267 234 D HN 0.075 nan 8.370 nan 0.000 0.521 235 F N 0.917 120.872 119.950 0.009 0.000 2.664 235 F HA -0.013 5.593 4.527 1.798 0.000 0.297 235 F C 1.863 177.688 175.800 0.042 0.000 1.164 235 F CA 0.534 58.553 58.000 0.032 0.000 1.472 235 F CB 0.059 39.082 39.000 0.039 0.000 1.108 235 F HN 0.267 nan 8.300 nan 0.000 0.596 236 E N 1.291 121.588 120.200 0.162 0.000 1.983 236 E HA -0.116 5.313 4.350 1.798 0.000 0.202 236 E C 0.755 177.412 176.600 0.095 0.000 0.944 236 E CA 0.327 56.795 56.400 0.115 0.000 0.903 236 E CB -0.326 29.420 29.700 0.078 0.000 0.843 236 E HN 0.282 nan 8.360 nan 0.000 0.542 237 K N 1.226 121.660 120.400 0.056 0.000 2.530 237 K HA 0.046 5.445 4.320 1.798 0.000 0.280 237 K C 0.059 176.688 176.600 0.049 0.000 1.004 237 K CA 0.288 56.605 56.287 0.050 0.000 1.071 237 K CB 1.074 33.580 32.500 0.011 0.000 0.876 237 K HN 0.338 nan 8.250 nan 0.000 0.487 238 L N 0.858 122.155 121.223 0.123 0.000 1.107 238 L HA -0.072 5.347 4.340 1.798 0.000 0.500 238 L C -0.414 176.704 176.870 0.414 0.000 0.792 238 L CA 0.919 55.893 54.840 0.223 0.000 1.958 238 L CB -0.858 41.297 42.059 0.160 0.000 1.288 238 L HN 0.935 nan 8.230 nan 0.000 0.411 239 K N -1.144 119.435 120.400 0.298 0.000 2.658 239 K HA 0.237 5.636 4.320 1.798 0.000 0.202 239 K C -0.059 176.652 176.600 0.185 0.000 1.563 239 K CA 0.146 56.565 56.287 0.219 0.000 1.129 239 K CB 0.698 33.280 32.500 0.136 0.000 1.507 239 K HN 0.239 nan 8.250 nan 0.000 0.581 240 D N 4.038 124.538 120.400 0.167 0.000 2.389 240 D HA 0.011 5.730 4.640 1.798 0.000 0.263 240 D C -2.114 174.329 176.300 0.237 0.000 1.255 240 D CA -1.417 52.671 54.000 0.147 0.000 0.914 240 D CB 1.186 42.044 40.800 0.097 0.000 1.116 240 D HN -0.031 nan 8.370 nan 0.000 0.502 241 P HA 0.217 nan 4.420 nan 0.000 0.261 241 P C 1.221 178.710 177.300 0.316 0.000 1.352 241 P CA -0.139 63.233 63.100 0.453 0.000 0.891 241 P CB 0.737 32.578 31.700 0.235 0.000 1.383 242 G N 0.264 109.176 108.800 0.187 0.000 2.535 242 G HA2 -0.161 4.878 3.960 1.798 0.000 0.218 242 G HA3 -0.161 4.878 3.960 1.798 0.000 0.218 242 G C 1.263 176.225 174.900 0.104 0.000 1.122 242 G CA 0.373 45.551 45.100 0.129 0.000 0.769 242 G HN 0.194 nan 8.290 nan 0.000 0.549 243 V N -1.172 118.793 119.914 0.086 0.000 2.871 243 V HA -0.012 5.187 4.120 1.798 0.000 0.256 243 V C 1.840 177.798 176.094 -0.226 0.000 1.082 243 V CA 0.903 63.147 62.300 -0.094 0.000 1.105 243 V CB -0.438 31.244 31.823 -0.235 0.000 0.713 243 V HN 0.613 nan 8.190 nan 0.000 0.473 244 W N -1.365 119.981 121.300 0.077 0.000 3.220 244 W HA 0.404 6.142 4.660 1.797 0.000 0.328 244 W C 1.795 178.377 176.519 0.104 0.000 1.205 244 W CA -0.270 57.128 57.345 0.090 0.000 1.773 244 W CB -0.160 29.325 29.460 0.041 0.000 1.086 244 W HN 0.134 nan 8.180 nan 0.000 0.622 245 I N -0.033 120.689 120.570 0.253 0.000 2.429 245 I HA -0.064 5.185 4.170 1.798 0.000 0.247 245 I C 2.568 178.762 176.117 0.128 0.000 1.099 245 I CA 1.072 62.469 61.300 0.162 0.000 1.422 245 I CB -0.781 37.280 38.000 0.102 0.000 1.112 245 I HN -0.083 nan 8.210 nan 0.000 0.430 246 A N 1.157 124.055 122.820 0.130 0.000 1.908 246 A HA -0.188 5.211 4.320 1.798 0.000 0.218 246 A C 2.478 180.252 177.584 0.316 0.000 1.181 246 A CA 2.084 54.218 52.037 0.163 0.000 0.627 246 A CB -0.841 18.242 19.000 0.138 0.000 0.818 246 A HN 0.427 nan 8.150 nan 0.000 0.445 247 A N -0.537 122.459 122.820 0.294 0.000 1.824 247 A HA -0.016 5.383 4.320 1.798 0.000 0.215 247 A C 2.171 179.922 177.584 0.280 0.000 1.209 247 A CA 1.871 54.039 52.037 0.218 0.000 0.614 247 A CB -1.309 17.648 19.000 -0.072 0.000 0.852 247 A HN 0.511 nan 8.150 nan 0.000 0.447 248 V N 0.302 120.406 119.914 0.317 0.000 2.370 248 V HA -0.264 4.935 4.120 1.798 0.000 0.252 248 V C 2.742 179.110 176.094 0.457 0.000 1.068 248 V CA 2.202 64.739 62.300 0.394 0.000 1.061 248 V CB -1.546 30.571 31.823 0.489 0.000 0.656 248 V HN 0.693 nan 8.190 nan 0.000 0.455 249 G N -1.043 107.965 108.800 0.346 0.000 2.402 249 G HA2 -0.324 4.715 3.960 1.798 0.000 0.216 249 G HA3 -0.324 4.715 3.960 1.798 0.000 0.216 249 G C 1.501 176.645 174.900 0.407 0.000 1.162 249 G CA 0.933 46.215 45.100 0.303 0.000 0.777 249 G HN 0.527 nan 8.290 nan 0.000 0.539 250 Q N 0.102 120.143 119.800 0.400 0.000 2.167 250 Q HA 0.012 5.431 4.340 1.798 0.000 0.202 250 Q C 2.305 178.619 176.000 0.523 0.000 0.970 250 Q CA 0.768 56.858 55.803 0.478 0.000 0.855 250 Q CB -0.273 28.819 28.738 0.590 0.000 0.911 250 Q HN 0.369 nan 8.270 nan 0.000 0.438 251 I N 0.026 120.843 120.570 0.413 0.000 2.361 251 I HA -0.210 5.039 4.170 1.798 0.000 0.251 251 I C 1.509 177.754 176.117 0.215 0.000 1.133 251 I CA 1.163 62.595 61.300 0.219 0.000 1.413 251 I CB -0.889 37.126 38.000 0.026 0.000 1.073 251 I HN 0.238 nan 8.210 nan 0.000 0.424 252 F N 0.082 120.209 119.950 0.295 0.000 2.074 252 F HA -0.231 5.372 4.527 1.794 0.000 0.293 252 F C 2.463 178.553 175.800 0.483 0.000 1.116 252 F CA 1.681 59.889 58.000 0.348 0.000 1.212 252 F CB -0.863 38.326 39.000 0.315 0.000 0.998 252 F HN -0.095 nan 8.300 nan 0.000 0.471 253 F N 0.363 120.666 119.950 0.588 0.000 2.046 253 F HA -0.253 5.353 4.527 1.797 0.000 0.297 253 F C 2.795 178.729 175.800 0.224 0.000 1.123 253 F CA 2.218 60.498 58.000 0.466 0.000 1.199 253 F CB -0.999 38.239 39.000 0.397 0.000 0.972 253 F HN -0.108 nan 8.300 nan 0.000 0.474 254 T N 0.197 115.028 114.554 0.462 0.000 2.699 254 T HA -0.207 5.222 4.350 1.798 0.000 0.268 254 T C 1.824 176.588 174.700 0.107 0.000 1.036 254 T CA 1.777 64.045 62.100 0.280 0.000 1.147 254 T CB -0.426 68.648 68.868 0.343 0.000 0.862 254 T HN 0.214 nan 8.240 nan 0.000 0.446 255 L N 0.419 121.712 121.223 0.117 0.000 2.592 255 L HA 0.254 5.673 4.340 1.798 0.000 0.227 255 L C 1.119 177.997 176.870 0.014 0.000 1.127 255 L CA 0.025 54.896 54.840 0.051 0.000 0.884 255 L CB 0.084 42.177 42.059 0.056 0.000 1.065 255 L HN 0.163 nan 8.230 nan 0.000 0.457 256 S N 0.430 116.095 115.700 -0.058 0.000 3.521 256 S HA -0.160 5.389 4.470 1.798 0.000 0.328 256 S C 0.350 175.105 174.600 0.258 0.000 1.165 256 S CA 0.384 58.452 58.200 -0.220 0.000 0.941 256 S CB -1.633 61.393 63.200 -0.290 0.000 0.951 256 S HN 0.284 nan 8.310 nan 0.000 0.539 257 L N 0.445 121.918 121.223 0.417 0.000 2.371 257 L HA 0.549 5.968 4.340 1.798 0.000 0.272 257 L C 1.533 178.866 176.870 0.772 0.000 1.124 257 L CA 0.445 55.543 54.840 0.432 0.000 0.816 257 L CB 0.573 42.637 42.059 0.009 0.000 1.129 257 L HN 0.405 nan 8.230 nan 0.000 0.448 258 G N 1.826 110.997 108.800 0.619 0.000 2.143 258 G HA2 -0.312 4.727 3.960 1.798 0.000 0.248 258 G HA3 -0.312 4.727 3.960 1.798 0.000 0.248 258 G C 0.250 175.348 174.900 0.331 0.000 0.991 258 G CA 0.212 45.656 45.100 0.573 0.000 0.689 258 G HN 0.585 nan 8.290 nan 0.000 0.522 259 F N 0.064 120.212 119.950 0.330 0.000 2.678 259 F HA 0.407 6.015 4.527 1.802 0.000 0.305 259 F C 2.114 178.000 175.800 0.144 0.000 1.090 259 F CA 0.594 58.695 58.000 0.167 0.000 1.272 259 F CB 0.838 39.871 39.000 0.055 0.000 1.060 259 F HN 0.576 nan 8.300 nan 0.000 0.576 260 G N 0.716 109.770 108.800 0.423 0.000 2.220 260 G HA2 -0.411 4.628 3.960 1.798 0.000 0.269 260 G HA3 -0.411 4.628 3.960 1.798 0.000 0.269 260 G C 1.324 176.351 174.900 0.211 0.000 0.977 260 G CA 0.637 45.928 45.100 0.319 0.000 0.634 260 G HN 0.520 nan 8.290 nan 0.000 0.539 261 A N 0.353 123.310 122.820 0.229 0.000 1.855 261 A HA 0.374 5.773 4.320 1.798 0.000 0.213 261 A C 2.314 180.022 177.584 0.208 0.000 1.195 261 A CA 1.794 53.937 52.037 0.176 0.000 0.610 261 A CB -0.300 18.783 19.000 0.138 0.000 0.837 261 A HN 0.481 nan 8.150 nan 0.000 0.444 262 I N 0.760 121.429 120.570 0.165 0.000 2.185 262 I HA -0.283 4.966 4.170 1.798 0.000 0.246 262 I C 2.401 178.521 176.117 0.006 0.000 1.088 262 I CA 1.309 62.644 61.300 0.059 0.000 1.347 262 I CB -1.242 36.791 38.000 0.054 0.000 1.041 262 I HN 0.329 nan 8.210 nan 0.000 0.415 263 I N 0.037 120.651 120.570 0.072 0.000 2.179 263 I HA -0.303 4.946 4.170 1.798 0.000 0.242 263 I C 2.445 178.574 176.117 0.020 0.000 1.088 263 I CA 1.582 62.910 61.300 0.046 0.000 1.357 263 I CB -0.724 37.332 38.000 0.093 0.000 1.051 263 I HN 0.216 nan 8.210 nan 0.000 0.409 264 T N 0.033 114.610 114.554 0.038 0.000 2.674 264 T HA -0.211 5.218 4.350 1.798 0.000 0.265 264 T C 1.829 176.529 174.700 0.000 0.000 1.039 264 T CA 1.560 63.640 62.100 -0.034 0.000 1.150 264 T CB -0.478 68.363 68.868 -0.045 0.000 0.864 264 T HN 0.181 nan 8.240 nan 0.000 0.427 265 Y N 1.591 121.979 120.300 0.146 0.000 2.081 265 Y HA -0.136 5.492 4.550 1.798 0.000 0.280 265 Y C 2.766 178.864 175.900 0.329 0.000 1.163 265 Y CA 0.997 59.328 58.100 0.385 0.000 1.135 265 Y CB -0.957 37.672 38.460 0.283 0.000 0.970 265 Y HN 0.208 nan 8.280 nan 0.000 0.498 266 A N -0.519 122.378 122.820 0.127 0.000 2.024 266 A HA -0.235 5.164 4.320 1.798 0.000 0.220 266 A C 2.384 179.996 177.584 0.046 0.000 1.164 266 A CA 1.957 53.977 52.037 -0.027 0.000 0.643 266 A CB -1.131 17.739 19.000 -0.217 0.000 0.806 266 A HN 0.525 nan 8.150 nan 0.000 0.451 267 S N -1.627 114.028 115.700 -0.075 0.000 2.474 267 S HA -0.136 5.413 4.470 1.798 0.000 0.235 267 S C 1.629 176.024 174.600 -0.342 0.000 0.997 267 S CA 1.198 59.261 58.200 -0.229 0.000 0.949 267 S CB -0.702 62.296 63.200 -0.337 0.000 0.766 267 S HN 0.594 nan 8.310 nan 0.000 0.517 268 Y N 1.607 121.855 120.300 -0.086 0.000 2.365 268 Y HA 0.336 5.967 4.550 1.802 0.000 0.293 268 Y C 1.322 177.071 175.900 -0.252 0.000 1.119 268 Y CA -0.443 57.532 58.100 -0.209 0.000 1.203 268 Y CB -0.616 37.458 38.460 -0.643 0.000 1.026 268 Y HN 0.043 nan 8.280 nan 0.000 0.549 269 V N 3.300 123.312 119.914 0.163 0.000 2.681 269 V HA -0.153 5.046 4.120 1.798 0.000 0.306 269 V C 0.801 176.814 176.094 -0.134 0.000 1.077 269 V CA -0.193 62.234 62.300 0.211 0.000 1.224 269 V CB -0.050 31.968 31.823 0.324 0.000 0.879 269 V HN 0.285 nan 8.190 nan 0.000 0.494 270 R N 4.310 124.713 120.500 -0.161 0.000 2.756 270 R HA -0.012 5.407 4.340 1.798 0.000 0.264 270 R C 1.721 177.969 176.300 -0.086 0.000 1.026 270 R CA 0.034 55.995 56.100 -0.232 0.000 1.121 270 R CB 0.353 30.632 30.300 -0.035 0.000 0.999 270 R HN 0.836 nan 8.270 nan 0.000 0.449 271 K N 0.819 121.177 120.400 -0.071 0.000 2.218 271 K HA -0.199 5.200 4.320 1.798 0.000 0.205 271 K C -0.015 176.602 176.600 0.029 0.000 1.046 271 K CA 1.810 58.091 56.287 -0.011 0.000 0.933 271 K CB 0.202 32.701 32.500 -0.001 0.000 0.728 271 K HN 0.452 nan 8.250 nan 0.000 0.454 272 D N 0.506 120.925 120.400 0.031 0.000 2.513 272 D HA 0.089 5.808 4.640 1.798 0.000 0.222 272 D C -0.366 175.962 176.300 0.048 0.000 1.210 272 D CA -0.038 53.987 54.000 0.040 0.000 0.825 272 D CB 0.561 41.381 40.800 0.034 0.000 1.037 272 D HN 0.285 nan 8.370 nan 0.000 0.506 273 Q N 0.874 120.713 119.800 0.064 0.000 2.354 273 Q HA 0.142 5.561 4.340 1.798 0.000 0.244 273 Q C -0.126 175.927 176.000 0.088 0.000 0.969 273 Q CA -0.228 55.626 55.803 0.086 0.000 0.885 273 Q CB 1.231 30.044 28.738 0.126 0.000 1.241 273 Q HN 0.036 nan 8.270 nan 0.000 0.461 274 D N 1.172 121.610 120.400 0.064 0.000 2.443 274 D HA 0.007 5.726 4.640 1.798 0.000 0.239 274 D C 0.414 176.747 176.300 0.056 0.000 1.136 274 D CA 0.314 54.330 54.000 0.025 0.000 0.879 274 D CB 0.511 41.303 40.800 -0.012 0.000 1.195 274 D HN 0.586 nan 8.370 nan 0.000 0.443 275 I N 0.424 120.996 120.570 0.003 0.000 4.439 275 I HA 0.108 5.357 4.170 1.798 0.000 0.331 275 I C 0.551 176.516 176.117 -0.253 0.000 1.345 275 I CA -0.418 60.852 61.300 -0.049 0.000 1.193 275 I CB 0.332 38.500 38.000 0.281 0.000 1.221 275 I HN 0.275 nan 8.210 nan 0.000 0.429 276 V N 1.474 121.262 119.914 -0.209 0.000 2.283 276 V HA -0.169 5.030 4.120 1.798 0.000 0.243 276 V C 2.407 178.479 176.094 -0.038 0.000 1.039 276 V CA 1.891 64.039 62.300 -0.254 0.000 1.016 276 V CB -0.403 31.169 31.823 -0.419 0.000 0.650 276 V HN 0.459 nan 8.190 nan 0.000 0.449 277 L N 0.054 121.213 121.223 -0.108 0.000 2.068 277 L HA -0.032 5.387 4.340 1.798 0.000 0.204 277 L C 2.530 179.305 176.870 -0.159 0.000 1.076 277 L CA 1.908 56.701 54.840 -0.077 0.000 0.753 277 L CB -0.641 41.379 42.059 -0.065 0.000 0.910 277 L HN 0.258 nan 8.230 nan 0.000 0.439 278 S N 0.028 115.576 115.700 -0.253 0.000 2.359 278 S HA -0.162 5.387 4.470 1.798 0.000 0.224 278 S C 1.929 176.158 174.600 -0.618 0.000 1.035 278 S CA 1.279 59.276 58.200 -0.339 0.000 1.018 278 S CB -1.245 61.797 63.200 -0.263 0.000 0.876 278 S HN 0.683 nan 8.310 nan 0.000 0.448 279 G N 1.861 109.954 108.800 -1.177 0.000 2.459 279 G HA2 -0.199 4.840 3.960 1.798 0.000 0.217 279 G HA3 -0.199 4.840 3.960 1.798 0.000 0.217 279 G C 1.403 175.987 174.900 -0.527 0.000 1.183 279 G CA 1.079 45.409 45.100 -1.284 0.000 0.776 279 G HN 0.415 nan 8.290 nan 0.000 0.552 280 L N 1.002 122.028 121.223 -0.328 0.000 2.079 280 L HA -0.056 5.363 4.340 1.798 0.000 0.210 280 L C 2.897 179.691 176.870 -0.127 0.000 1.081 280 L CA 2.675 57.383 54.840 -0.220 0.000 0.752 280 L CB -0.941 41.127 42.059 0.014 0.000 0.896 280 L HN 0.219 nan 8.230 nan 0.000 0.433 281 T N -0.209 114.275 114.554 -0.117 0.000 2.674 281 T HA -0.154 5.275 4.350 1.798 0.000 0.265 281 T C 1.909 176.574 174.700 -0.059 0.000 1.039 281 T CA 1.492 63.548 62.100 -0.073 0.000 1.150 281 T CB -0.620 68.203 68.868 -0.075 0.000 0.864 281 T HN 0.540 nan 8.240 nan 0.000 0.427 282 A N 1.639 124.424 122.820 -0.059 0.000 1.883 282 A HA 0.097 5.496 4.320 1.798 0.000 0.217 282 A C 2.688 180.268 177.584 -0.006 0.000 1.186 282 A CA 2.054 54.085 52.037 -0.010 0.000 0.624 282 A CB -1.314 17.742 19.000 0.094 0.000 0.822 282 A HN 0.511 nan 8.150 nan 0.000 0.444 283 A N -0.938 121.878 122.820 -0.007 0.000 1.903 283 A HA -0.187 5.212 4.320 1.798 0.000 0.219 283 A C 2.329 179.946 177.584 0.055 0.000 1.191 283 A CA 2.648 54.716 52.037 0.051 0.000 0.638 283 A CB -1.444 17.572 19.000 0.027 0.000 0.823 283 A HN 0.471 nan 8.150 nan 0.000 0.451 284 T N 0.332 114.912 114.554 0.043 0.000 2.737 284 T HA -0.053 5.376 4.350 1.798 0.000 0.265 284 T C 1.821 176.484 174.700 -0.062 0.000 1.038 284 T CA 1.304 63.407 62.100 0.004 0.000 1.144 284 T CB -0.401 68.486 68.868 0.031 0.000 0.866 284 T HN 0.364 nan 8.240 nan 0.000 0.434 285 L N 1.256 122.453 121.223 -0.043 0.000 2.043 285 L HA -0.214 5.205 4.340 1.798 0.000 0.212 285 L C 2.619 179.452 176.870 -0.061 0.000 1.075 285 L CA 1.513 56.328 54.840 -0.042 0.000 0.752 285 L CB -0.627 41.410 42.059 -0.038 0.000 0.891 285 L HN 0.323 nan 8.230 nan 0.000 0.432 286 N N -0.229 118.425 118.700 -0.076 0.000 2.106 286 N HA -0.206 5.613 4.740 1.798 0.000 0.188 286 N C 1.789 177.192 175.510 -0.178 0.000 1.029 286 N CA 1.224 54.213 53.050 -0.102 0.000 0.848 286 N CB 0.068 38.513 38.487 -0.069 0.000 1.007 286 N HN 0.110 nan 8.380 nan 0.000 0.423 287 E N 0.757 120.794 120.200 -0.271 0.000 2.118 287 E HA -0.164 5.265 4.350 1.798 0.000 0.195 287 E C 1.802 178.268 176.600 -0.224 0.000 0.992 287 E CA 0.942 57.123 56.400 -0.366 0.000 0.804 287 E CB -0.180 29.061 29.700 -0.765 0.000 0.741 287 E HN 0.512 nan 8.360 nan 0.000 0.458 288 K N 0.472 120.779 120.400 -0.155 0.000 1.985 288 K HA -0.073 5.326 4.320 1.798 0.000 0.210 288 K C 2.219 178.757 176.600 -0.103 0.000 1.047 288 K CA 1.310 57.546 56.287 -0.085 0.000 0.932 288 K CB -0.268 32.214 32.500 -0.031 0.000 0.716 288 K HN 0.078 nan 8.250 nan 0.000 0.439 289 A N 1.166 123.922 122.820 -0.108 0.000 1.917 289 A HA -0.222 5.177 4.320 1.798 0.000 0.219 289 A C 2.279 179.654 177.584 -0.349 0.000 1.182 289 A CA 2.142 54.098 52.037 -0.135 0.000 0.633 289 A CB -0.645 18.306 19.000 -0.082 0.000 0.819 289 A HN 0.205 nan 8.150 nan 0.000 0.448 290 S N -1.012 114.428 115.700 -0.433 0.000 2.325 290 S HA -0.115 5.434 4.470 1.798 0.000 0.213 290 S C 2.175 176.323 174.600 -0.753 0.000 1.031 290 S CA 1.747 59.487 58.200 -0.767 0.000 0.984 290 S CB -0.766 61.904 63.200 -0.884 0.000 0.939 290 S HN 0.948 nan 8.310 nan 0.000 0.438 291 V N 0.820 120.448 119.914 -0.475 0.000 2.307 291 V HA -0.059 5.140 4.120 1.798 0.000 0.245 291 V C 1.865 178.089 176.094 0.216 0.000 1.045 291 V CA 1.621 63.889 62.300 -0.053 0.000 1.024 291 V CB -0.880 31.087 31.823 0.239 0.000 0.651 291 V HN 0.486 nan 8.190 nan 0.000 0.449 292 I N -0.358 120.254 120.570 0.070 0.000 2.206 292 I HA -0.077 5.172 4.170 1.798 0.000 0.239 292 I C 2.599 178.742 176.117 0.044 0.000 1.078 292 I CA 1.667 62.997 61.300 0.050 0.000 1.367 292 I CB -0.291 37.699 38.000 -0.018 0.000 1.078 292 I HN 0.267 nan 8.210 nan 0.000 0.413 293 L N 0.263 121.480 121.223 -0.010 0.000 2.004 293 L HA 0.011 5.430 4.340 1.798 0.000 0.205 293 L C 2.759 179.673 176.870 0.075 0.000 1.089 293 L CA 1.543 56.414 54.840 0.051 0.000 0.756 293 L CB -1.427 40.685 42.059 0.089 0.000 0.900 293 L HN 0.267 nan 8.230 nan 0.000 0.440 294 G N -0.047 108.610 108.800 -0.239 0.000 2.513 294 G HA2 -0.265 4.774 3.960 1.798 0.000 0.219 294 G HA3 -0.265 4.774 3.960 1.798 0.000 0.219 294 G C 1.529 176.490 174.900 0.102 0.000 1.160 294 G CA 0.943 45.874 45.100 -0.281 0.000 0.767 294 G HN 0.530 nan 8.290 nan 0.000 0.571 295 G N -0.178 108.704 108.800 0.137 0.000 2.470 295 G HA2 -0.009 5.030 3.960 1.798 0.000 0.220 295 G HA3 -0.009 5.030 3.960 1.798 0.000 0.220 295 G C 1.786 176.842 174.900 0.260 0.000 1.121 295 G CA 1.265 46.562 45.100 0.328 0.000 0.766 295 G HN 0.448 nan 8.290 nan 0.000 0.553 296 S N -0.278 115.554 115.700 0.220 0.000 2.556 296 S HA 0.324 5.873 4.470 1.798 0.000 0.216 296 S C 1.609 176.295 174.600 0.144 0.000 0.970 296 S CA -0.311 58.008 58.200 0.198 0.000 0.912 296 S CB 0.175 63.474 63.200 0.165 0.000 0.790 296 S HN 0.367 nan 8.310 nan 0.000 0.504 297 I N 1.005 121.652 120.570 0.128 0.000 4.056 297 I HA -0.030 5.220 4.170 1.798 0.000 0.232 297 I C 2.471 178.531 176.117 -0.095 0.000 1.031 297 I CA 0.588 61.909 61.300 0.036 0.000 1.571 297 I CB -0.731 37.315 38.000 0.076 0.000 1.470 297 I HN 0.230 nan 8.210 nan 0.000 0.463 298 S N 1.806 117.406 115.700 -0.166 0.000 2.353 298 S HA -0.151 5.398 4.470 1.798 0.000 0.222 298 S C 2.033 176.530 174.600 -0.173 0.000 1.035 298 S CA 1.041 59.072 58.200 -0.282 0.000 1.025 298 S CB -0.678 62.381 63.200 -0.235 0.000 0.902 298 S HN 0.227 nan 8.310 nan 0.000 0.440 299 I N 3.216 123.739 120.570 -0.078 0.000 2.113 299 I HA -0.037 5.212 4.170 1.798 0.000 0.238 299 I C -0.612 175.478 176.117 -0.045 0.000 1.070 299 I CA 0.836 62.096 61.300 -0.068 0.000 1.332 299 I CB -2.715 35.274 38.000 -0.018 0.000 1.044 299 I HN 0.201 nan 8.210 nan 0.000 0.402 300 P HA -0.138 nan 4.420 nan 0.000 0.217 300 P C 1.600 178.908 177.300 0.013 0.000 1.148 300 P CA 2.024 65.147 63.100 0.039 0.000 0.828 300 P CB -0.005 31.753 31.700 0.096 0.000 0.783 301 A N -0.141 122.663 122.820 -0.026 0.000 1.872 301 A HA -0.019 5.380 4.320 1.798 0.000 0.214 301 A C 2.329 179.919 177.584 0.010 0.000 1.187 301 A CA 1.868 53.887 52.037 -0.031 0.000 0.614 301 A CB -1.540 17.351 19.000 -0.182 0.000 0.826 301 A HN 0.182 nan 8.150 nan 0.000 0.442 302 A N -0.490 122.298 122.820 -0.054 0.000 1.902 302 A HA -0.015 5.384 4.320 1.798 0.000 0.217 302 A C 2.215 179.884 177.584 0.142 0.000 1.181 302 A CA 1.831 53.891 52.037 0.038 0.000 0.623 302 A CB -0.951 17.972 19.000 -0.129 0.000 0.818 302 A HN 0.388 nan 8.150 nan 0.000 0.443 303 V N -0.121 119.801 119.914 0.013 0.000 2.407 303 V HA -0.243 4.956 4.120 1.798 0.000 0.248 303 V C 3.047 179.160 176.094 0.031 0.000 1.055 303 V CA 1.825 64.116 62.300 -0.015 0.000 1.049 303 V CB -1.243 30.525 31.823 -0.093 0.000 0.662 303 V HN 0.624 nan 8.190 nan 0.000 0.455 304 A N -0.577 122.276 122.820 0.056 0.000 1.908 304 A HA -0.219 5.180 4.320 1.798 0.000 0.218 304 A C 2.022 179.597 177.584 -0.014 0.000 1.181 304 A CA 2.082 54.135 52.037 0.026 0.000 0.627 304 A CB -0.645 18.403 19.000 0.079 0.000 0.818 304 A HN 0.485 nan 8.150 nan 0.000 0.445 305 F N -2.740 117.150 119.950 -0.100 0.000 2.387 305 F HA 0.202 5.808 4.527 1.799 0.000 0.294 305 F C 1.491 177.044 175.800 -0.412 0.000 1.093 305 F CA 0.771 58.612 58.000 -0.264 0.000 1.420 305 F CB 0.040 38.838 39.000 -0.337 0.000 1.086 305 F HN 0.206 nan 8.300 nan 0.000 0.531 306 F N -0.594 119.385 119.950 0.049 0.000 2.724 306 F HA 0.459 6.065 4.527 1.799 0.000 0.306 306 F C 1.123 176.890 175.800 -0.055 0.000 1.100 306 F CA 0.367 58.361 58.000 -0.010 0.000 1.255 306 F CB 0.105 39.086 39.000 -0.032 0.000 1.072 306 F HN -0.081 nan 8.300 nan 0.000 0.589 307 G N 0.367 109.207 108.800 0.068 0.000 2.712 307 G HA2 -0.167 4.872 3.960 1.798 0.000 0.686 307 G HA3 -0.167 4.872 3.960 1.798 0.000 0.686 307 G C 0.356 175.229 174.900 -0.045 0.000 1.321 307 G CA -0.547 44.551 45.100 -0.003 0.000 0.813 307 G HN -0.067 nan 8.290 nan 0.000 0.599 308 V N 0.881 120.742 119.914 -0.089 0.000 2.809 308 V HA 0.064 5.263 4.120 1.798 0.000 0.256 308 V C 3.017 178.983 176.094 -0.213 0.000 1.080 308 V CA 3.101 65.283 62.300 -0.197 0.000 1.102 308 V CB -0.878 30.870 31.823 -0.126 0.000 0.705 308 V HN 1.573 nan 8.190 nan 0.000 0.475 309 A N 0.328 123.089 122.820 -0.099 0.000 1.878 309 A HA -0.069 5.330 4.320 1.798 0.000 0.213 309 A C 1.829 179.365 177.584 -0.080 0.000 1.192 309 A CA 1.056 53.051 52.037 -0.070 0.000 0.619 309 A CB -0.519 18.466 19.000 -0.025 0.000 0.837 309 A HN 0.509 nan 8.150 nan 0.000 0.446 310 N N 0.554 119.223 118.700 -0.051 0.000 2.627 310 N HA 0.078 5.897 4.740 1.798 0.000 0.196 310 N C 1.168 176.602 175.510 -0.127 0.000 1.268 310 N CA 0.878 53.901 53.050 -0.046 0.000 0.904 310 N CB -0.075 38.449 38.487 0.061 0.000 1.016 310 N HN 0.551 nan 8.380 nan 0.000 0.448 311 A N -0.391 122.319 122.820 -0.183 0.000 1.919 311 A HA 0.076 5.475 4.320 1.798 0.000 0.211 311 A C 2.173 179.604 177.584 -0.255 0.000 1.310 311 A CA 0.267 52.140 52.037 -0.272 0.000 0.651 311 A CB -0.531 18.207 19.000 -0.437 0.000 0.996 311 A HN 0.052 nan 8.150 nan 0.000 0.479 312 V N 0.758 120.532 119.914 -0.232 0.000 2.439 312 V HA -0.324 4.875 4.120 1.798 0.000 0.253 312 V C 2.957 178.987 176.094 -0.108 0.000 1.074 312 V CA 2.123 64.354 62.300 -0.115 0.000 1.076 312 V CB -1.181 30.630 31.823 -0.021 0.000 0.664 312 V HN 0.606 nan 8.190 nan 0.000 0.461 313 A N -0.325 122.425 122.820 -0.116 0.000 1.898 313 A HA -0.113 5.286 4.320 1.798 0.000 0.216 313 A C 2.149 179.653 177.584 -0.134 0.000 1.181 313 A CA 1.655 53.629 52.037 -0.105 0.000 0.620 313 A CB -0.428 18.517 19.000 -0.092 0.000 0.819 313 A HN 0.510 nan 8.150 nan 0.000 0.442 314 I N -0.186 120.273 120.570 -0.185 0.000 2.226 314 I HA -0.266 4.983 4.170 1.798 0.000 0.245 314 I C 2.965 178.979 176.117 -0.172 0.000 1.100 314 I CA 0.952 62.122 61.300 -0.218 0.000 1.374 314 I CB -0.351 37.454 38.000 -0.324 0.000 1.057 314 I HN 0.360 nan 8.210 nan 0.000 0.413 315 A N 1.048 123.768 122.820 -0.166 0.000 1.883 315 A HA -0.235 5.164 4.320 1.798 0.000 0.217 315 A C 2.293 179.797 177.584 -0.133 0.000 1.186 315 A CA 1.673 53.620 52.037 -0.151 0.000 0.624 315 A CB -0.501 18.407 19.000 -0.154 0.000 0.822 315 A HN 0.325 nan 8.150 nan 0.000 0.444 316 K N -0.252 120.077 120.400 -0.117 0.000 2.211 316 K HA -0.071 5.328 4.320 1.798 0.000 0.204 316 K C 2.089 178.638 176.600 -0.086 0.000 1.047 316 K CA 0.899 57.127 56.287 -0.098 0.000 0.935 316 K CB -0.324 32.129 32.500 -0.079 0.000 0.728 316 K HN 0.475 nan 8.250 nan 0.000 0.452 317 A N 1.369 124.137 122.820 -0.086 0.000 2.070 317 A HA 0.057 5.456 4.320 1.798 0.000 0.220 317 A C 0.999 178.554 177.584 -0.048 0.000 1.159 317 A CA 1.397 53.398 52.037 -0.060 0.000 0.656 317 A CB -0.336 18.625 19.000 -0.065 0.000 0.800 317 A HN 0.438 nan 8.150 nan 0.000 0.453 318 G N -3.930 104.823 108.800 -0.080 0.000 2.392 318 G HA2 0.384 5.423 3.960 1.798 0.000 0.677 318 G HA3 0.384 5.423 3.960 1.798 0.000 0.677 318 G C 0.467 175.302 174.900 -0.108 0.000 1.334 318 G CA -0.080 44.958 45.100 -0.104 0.000 0.961 318 G HN 1.188 nan 8.290 nan 0.000 0.616 319 A N -0.749 121.941 122.820 -0.217 0.000 2.067 319 A HA 0.435 5.834 4.320 1.798 0.000 0.217 319 A C 1.878 179.478 177.584 0.027 0.000 1.156 319 A CA 2.222 54.151 52.037 -0.180 0.000 0.683 319 A CB -0.352 18.457 19.000 -0.318 0.000 0.808 319 A HN 0.829 nan 8.150 nan 0.000 0.455 320 F N 0.348 120.408 119.950 0.182 0.000 2.317 320 F HA 0.040 5.646 4.527 1.798 0.000 0.293 320 F C 2.050 178.005 175.800 0.259 0.000 1.085 320 F CA 0.264 58.454 58.000 0.317 0.000 1.390 320 F CB -0.821 38.311 39.000 0.220 0.000 1.077 320 F HN 0.157 nan 8.300 nan 0.000 0.517 321 N N 0.727 119.596 118.700 0.282 0.000 2.043 321 N HA -0.176 5.643 4.740 1.798 0.000 0.193 321 N C 2.010 177.587 175.510 0.111 0.000 1.037 321 N CA 1.158 54.305 53.050 0.162 0.000 0.851 321 N CB -0.934 37.591 38.487 0.064 0.000 1.027 321 N HN 0.158 nan 8.380 nan 0.000 0.422 322 L N 0.859 122.114 121.223 0.054 0.000 1.970 322 L HA -0.019 5.400 4.340 1.798 0.000 0.212 322 L C 2.125 178.993 176.870 -0.004 0.000 1.071 322 L CA 2.053 56.871 54.840 -0.037 0.000 0.751 322 L CB -1.249 40.773 42.059 -0.061 0.000 0.889 322 L HN 0.227 nan 8.230 nan 0.000 0.432 323 G N -2.260 106.627 108.800 0.147 0.000 2.421 323 G HA2 -0.227 4.812 3.960 1.798 0.000 0.217 323 G HA3 -0.227 4.812 3.960 1.798 0.000 0.217 323 G C 1.153 176.072 174.900 0.030 0.000 1.143 323 G CA 0.805 45.998 45.100 0.156 0.000 0.784 323 G HN 0.438 nan 8.290 nan 0.000 0.541 324 F N -1.124 118.972 119.950 0.244 0.000 2.724 324 F HA 0.478 6.084 4.527 1.798 0.000 0.306 324 F C 1.860 177.759 175.800 0.165 0.000 1.100 324 F CA -0.220 57.870 58.000 0.150 0.000 1.255 324 F CB 0.564 39.541 39.000 -0.038 0.000 1.072 324 F HN 0.033 nan 8.300 nan 0.000 0.589 325 I N -1.860 118.865 120.570 0.258 0.000 3.623 325 I HA -0.052 5.197 4.170 1.798 0.000 0.253 325 I C 1.983 178.080 176.117 -0.033 0.000 1.144 325 I CA 0.564 61.983 61.300 0.199 0.000 1.461 325 I CB -0.325 37.800 38.000 0.208 0.000 1.575 325 I HN -0.210 nan 8.210 nan 0.000 0.445 326 T N 1.954 116.449 114.554 -0.098 0.000 2.674 326 T HA -0.137 5.292 4.350 1.798 0.000 0.265 326 T C 1.835 176.288 174.700 -0.411 0.000 1.039 326 T CA 1.389 63.351 62.100 -0.229 0.000 1.150 326 T CB -0.260 68.455 68.868 -0.256 0.000 0.864 326 T HN 0.030 nan 8.240 nan 0.000 0.427 327 L N 1.857 122.778 121.223 -0.502 0.000 1.970 327 L HA 0.008 5.427 4.340 1.798 0.000 0.212 327 L C -0.899 175.351 176.870 -1.033 0.000 1.071 327 L CA 1.992 56.284 54.840 -0.914 0.000 0.751 327 L CB -1.522 39.894 42.059 -1.072 0.000 0.889 327 L HN 0.128 nan 8.230 nan 0.000 0.432 328 P HA -0.180 nan 4.420 nan 0.000 0.217 328 P C 1.448 178.160 177.300 -0.980 0.000 1.148 328 P CA 1.996 64.891 63.100 -0.341 0.000 0.828 328 P CB -0.156 31.655 31.700 0.186 0.000 0.783 329 A N -0.960 121.095 122.820 -1.275 0.000 1.898 329 A HA -0.149 5.250 4.320 1.798 0.000 0.216 329 A C 2.186 179.411 177.584 -0.599 0.000 1.181 329 A CA 1.256 52.583 52.037 -1.184 0.000 0.620 329 A CB -1.502 17.150 19.000 -0.581 0.000 0.819 329 A HN 0.092 nan 8.150 nan 0.000 0.442 330 I N -1.291 118.876 120.570 -0.671 0.000 2.099 330 I HA -0.265 4.984 4.170 1.798 0.000 0.239 330 I C 2.213 177.921 176.117 -0.682 0.000 1.066 330 I CA 1.452 62.183 61.300 -0.948 0.000 1.324 330 I CB -0.541 36.807 38.000 -1.088 0.000 1.037 330 I HN 0.270 nan 8.210 nan 0.000 0.401 331 F N 1.390 121.073 119.950 -0.445 0.000 2.192 331 F HA -0.260 5.346 4.527 1.798 0.000 0.301 331 F C 2.958 178.723 175.800 -0.058 0.000 1.079 331 F CA 1.487 59.359 58.000 -0.212 0.000 1.303 331 F CB -1.630 37.291 39.000 -0.132 0.000 1.024 331 F HN 0.212 nan 8.300 nan 0.000 0.494 332 S N -0.976 114.805 115.700 0.135 0.000 2.547 332 S HA -0.120 5.429 4.470 1.798 0.000 0.235 332 S C 1.465 176.167 174.600 0.171 0.000 0.980 332 S CA 0.684 59.022 58.200 0.231 0.000 0.941 332 S CB -0.228 63.202 63.200 0.383 0.000 0.763 332 S HN 0.392 nan 8.310 nan 0.000 0.532 333 Q N 0.592 120.463 119.800 0.118 0.000 2.247 333 Q HA 0.294 5.713 4.340 1.798 0.000 0.211 333 Q C 0.502 176.654 176.000 0.254 0.000 0.861 333 Q CA 0.276 56.195 55.803 0.192 0.000 0.949 333 Q CB 0.653 29.562 28.738 0.286 0.000 1.115 333 Q HN 0.567 nan 8.270 nan 0.000 0.507 334 T N -0.102 114.591 114.554 0.232 0.000 2.945 334 T HA 0.650 6.079 4.350 1.798 0.000 0.286 334 T C -0.723 174.071 174.700 0.157 0.000 1.025 334 T CA -0.539 61.695 62.100 0.224 0.000 1.039 334 T CB 1.276 70.297 68.868 0.255 0.000 1.068 334 T HN 0.137 nan 8.240 nan 0.000 0.497 335 A N 1.566 124.459 122.820 0.122 0.000 2.488 335 A HA 0.526 5.925 4.320 1.798 0.000 0.249 335 A C 1.442 179.089 177.584 0.105 0.000 1.083 335 A CA 0.304 52.400 52.037 0.098 0.000 0.768 335 A CB -0.987 18.055 19.000 0.071 0.000 1.017 335 A HN 2.051 nan 8.150 nan 0.000 0.496 336 G N 1.656 110.522 108.800 0.110 0.000 2.323 336 G HA2 -0.098 4.941 3.960 1.798 0.000 0.292 336 G HA3 -0.098 4.941 3.960 1.798 0.000 0.292 336 G C 0.961 175.966 174.900 0.176 0.000 1.040 336 G CA 0.839 46.021 45.100 0.138 0.000 0.942 336 G HN 1.794 nan 8.290 nan 0.000 0.506 337 G N -1.011 107.891 108.800 0.169 0.000 2.430 337 G HA2 0.067 5.106 3.960 1.798 0.000 0.216 337 G HA3 0.067 5.106 3.960 1.798 0.000 0.216 337 G C 1.608 176.654 174.900 0.244 0.000 1.146 337 G CA 1.820 47.018 45.100 0.164 0.000 0.793 337 G HN 0.574 nan 8.290 nan 0.000 0.537 338 T N 0.829 115.569 114.554 0.311 0.000 2.759 338 T HA -0.147 5.282 4.350 1.798 0.000 0.269 338 T C 1.868 176.843 174.700 0.458 0.000 1.042 338 T CA 0.981 63.343 62.100 0.436 0.000 1.140 338 T CB -0.250 68.798 68.868 0.300 0.000 0.864 338 T HN 0.256 nan 8.240 nan 0.000 0.455 339 F N 1.008 121.072 119.950 0.191 0.000 2.259 339 F HA 0.111 5.718 4.527 1.799 0.000 0.298 339 F C 1.700 177.564 175.800 0.107 0.000 1.088 339 F CA 0.397 58.497 58.000 0.167 0.000 1.358 339 F CB -0.261 38.795 39.000 0.094 0.000 1.040 339 F HN -0.011 nan 8.300 nan 0.000 0.505 340 L N 0.330 121.523 121.223 -0.050 0.000 2.093 340 L HA -0.020 5.399 4.340 1.798 0.000 0.208 340 L C 2.715 179.216 176.870 -0.615 0.000 1.085 340 L CA 1.876 56.425 54.840 -0.486 0.000 0.755 340 L CB -1.645 39.842 42.059 -0.953 0.000 0.904 340 L HN 0.244 nan 8.230 nan 0.000 0.435 341 G N -1.576 107.041 108.800 -0.305 0.000 2.402 341 G HA2 -0.333 4.706 3.960 1.798 0.000 0.216 341 G HA3 -0.333 4.706 3.960 1.798 0.000 0.216 341 G C 1.623 176.283 174.900 -0.400 0.000 1.162 341 G CA 0.680 45.559 45.100 -0.369 0.000 0.777 341 G HN 0.370 nan 8.290 nan 0.000 0.539 342 F N 1.452 121.214 119.950 -0.313 0.000 2.069 342 F HA -0.022 5.585 4.527 1.799 0.000 0.298 342 F C 2.438 178.126 175.800 -0.186 0.000 1.113 342 F CA 1.302 59.211 58.000 -0.152 0.000 1.214 342 F CB -0.403 38.506 39.000 -0.152 0.000 0.978 342 F HN 0.054 nan 8.300 nan 0.000 0.474 343 L N -0.518 120.381 121.223 -0.540 0.000 2.012 343 L HA -0.287 5.132 4.340 1.798 0.000 0.210 343 L C 2.613 179.311 176.870 -0.286 0.000 1.073 343 L CA 1.926 56.469 54.840 -0.494 0.000 0.748 343 L CB -1.256 40.589 42.059 -0.357 0.000 0.891 343 L HN 0.524 nan 8.230 nan 0.000 0.431 344 W N 1.066 122.085 121.300 -0.469 0.000 2.315 344 W HA -0.323 5.416 4.660 1.799 0.000 0.323 344 W C 2.282 178.483 176.519 -0.530 0.000 1.233 344 W CA 1.662 58.701 57.345 -0.511 0.000 1.267 344 W CB -0.403 28.698 29.460 -0.598 0.000 1.160 344 W HN 0.068 nan 8.180 nan 0.000 0.474 345 F N -0.476 119.218 119.950 -0.426 0.000 2.293 345 F HA -0.119 5.487 4.527 1.798 0.000 0.300 345 F C 2.220 177.811 175.800 -0.348 0.000 1.086 345 F CA 1.291 59.004 58.000 -0.480 0.000 1.375 345 F CB -1.611 37.241 39.000 -0.246 0.000 1.045 345 F HN -0.146 nan 8.300 nan 0.000 0.516 346 F N 0.052 119.763 119.950 -0.399 0.000 2.206 346 F HA -0.102 5.504 4.527 1.799 0.000 0.298 346 F C 2.182 177.854 175.800 -0.214 0.000 1.090 346 F CA 0.755 58.525 58.000 -0.383 0.000 1.323 346 F CB -0.314 38.241 39.000 -0.741 0.000 1.028 346 F HN -0.041 nan 8.300 nan 0.000 0.492 347 L N 0.476 121.592 121.223 -0.178 0.000 1.994 347 L HA -0.186 5.233 4.340 1.798 0.000 0.208 347 L C 2.033 178.650 176.870 -0.423 0.000 1.071 347 L CA 1.928 56.611 54.840 -0.261 0.000 0.745 347 L CB -1.097 40.741 42.059 -0.368 0.000 0.892 347 L HN 0.204 nan 8.230 nan 0.000 0.431 348 L N -1.319 119.538 121.223 -0.609 0.000 2.042 348 L HA -0.245 5.174 4.340 1.798 0.000 0.210 348 L C 2.527 179.255 176.870 -0.237 0.000 1.076 348 L CA 1.757 56.277 54.840 -0.533 0.000 0.749 348 L CB -0.845 40.814 42.059 -0.665 0.000 0.893 348 L HN 0.378 nan 8.230 nan 0.000 0.432 349 F N 0.391 120.139 119.950 -0.336 0.000 2.046 349 F HA -0.296 5.311 4.527 1.799 0.000 0.297 349 F C 2.288 177.953 175.800 -0.225 0.000 1.123 349 F CA 1.571 59.389 58.000 -0.302 0.000 1.199 349 F CB -0.506 38.222 39.000 -0.452 0.000 0.972 349 F HN -0.120 nan 8.300 nan 0.000 0.474 350 F N 0.741 120.406 119.950 -0.476 0.000 2.161 350 F HA -0.103 5.503 4.527 1.798 0.000 0.300 350 F C 2.578 178.222 175.800 -0.261 0.000 1.089 350 F CA 1.006 58.758 58.000 -0.415 0.000 1.282 350 F CB -1.499 37.325 39.000 -0.294 0.000 1.010 350 F HN 0.110 nan 8.300 nan 0.000 0.485 351 A N -0.291 122.510 122.820 -0.031 0.000 1.930 351 A HA -0.015 5.384 4.320 1.798 0.000 0.217 351 A C 2.595 180.197 177.584 0.030 0.000 1.175 351 A CA 1.633 53.672 52.037 0.003 0.000 0.627 351 A CB -1.485 17.503 19.000 -0.019 0.000 0.815 351 A HN 0.391 nan 8.150 nan 0.000 0.443 352 G N -0.284 108.484 108.800 -0.054 0.000 2.402 352 G HA2 -0.089 4.950 3.960 1.798 0.000 0.216 352 G HA3 -0.089 4.950 3.960 1.798 0.000 0.216 352 G C 1.460 176.375 174.900 0.025 0.000 1.162 352 G CA 1.101 46.203 45.100 0.003 0.000 0.777 352 G HN 0.428 nan 8.290 nan 0.000 0.539 353 L N 1.897 123.011 121.223 -0.181 0.000 2.046 353 L HA -0.058 5.361 4.340 1.798 0.000 0.208 353 L C 3.043 179.941 176.870 0.047 0.000 1.077 353 L CA 2.727 57.468 54.840 -0.165 0.000 0.747 353 L CB -1.108 40.728 42.059 -0.371 0.000 0.896 353 L HN 0.356 nan 8.230 nan 0.000 0.432 354 T N -4.462 110.179 114.554 0.145 0.000 3.007 354 T HA -0.071 5.358 4.350 1.798 0.000 0.270 354 T C 1.930 176.677 174.700 0.078 0.000 1.107 354 T CA 1.282 63.478 62.100 0.161 0.000 1.118 354 T CB -0.342 68.578 68.868 0.087 0.000 0.889 354 T HN 0.282 nan 8.240 nan 0.000 0.506 355 S N 1.393 117.130 115.700 0.061 0.000 2.452 355 S HA 0.015 5.564 4.470 1.798 0.000 0.225 355 S C 2.453 177.003 174.600 -0.084 0.000 1.057 355 S CA 0.715 58.898 58.200 -0.027 0.000 0.949 355 S CB -0.258 62.932 63.200 -0.016 0.000 0.836 355 S HN 0.785 nan 8.310 nan 0.000 0.518 356 S N 3.243 118.961 115.700 0.030 0.000 2.383 356 S HA -0.133 5.416 4.470 1.798 0.000 0.229 356 S C 1.968 176.560 174.600 -0.012 0.000 1.030 356 S CA 1.435 59.643 58.200 0.014 0.000 1.002 356 S CB -1.130 62.152 63.200 0.137 0.000 0.829 356 S HN 0.713 nan 8.310 nan 0.000 0.467 357 I N 0.070 120.647 120.570 0.012 0.000 2.493 357 I HA 0.055 5.304 4.170 1.798 0.000 0.254 357 I C 2.532 178.685 176.117 0.059 0.000 1.160 357 I CA 1.163 62.475 61.300 0.020 0.000 1.445 357 I CB -0.854 37.162 38.000 0.027 0.000 1.086 357 I HN 0.336 nan 8.210 nan 0.000 0.433 358 A N 3.055 125.946 122.820 0.118 0.000 1.897 358 A HA -0.013 5.386 4.320 1.798 0.000 0.215 358 A C 2.283 179.891 177.584 0.039 0.000 1.181 358 A CA 1.645 53.822 52.037 0.233 0.000 0.620 358 A CB -0.772 18.416 19.000 0.312 0.000 0.821 358 A HN 0.695 nan 8.150 nan 0.000 0.443 359 I N -4.451 116.085 120.570 -0.057 0.000 3.684 359 I HA 0.171 5.420 4.170 1.798 0.000 0.304 359 I C 1.698 177.793 176.117 -0.038 0.000 1.278 359 I CA 0.575 61.830 61.300 -0.074 0.000 1.272 359 I CB -0.069 37.822 38.000 -0.180 0.000 1.029 359 I HN 0.138 nan 8.210 nan 0.000 0.458 360 M N 0.292 119.876 119.600 -0.027 0.000 2.414 360 M HA 0.064 5.623 4.480 1.798 0.000 0.251 360 M C 1.981 178.275 176.300 -0.010 0.000 1.116 360 M CA 0.503 55.801 55.300 -0.004 0.000 1.056 360 M CB 0.354 32.957 32.600 0.005 0.000 1.388 360 M HN 0.263 nan 8.290 nan 0.000 0.487 361 Q N 1.270 121.040 119.800 -0.049 0.000 2.137 361 Q HA -0.030 5.389 4.340 1.798 0.000 0.198 361 Q C -1.100 174.882 176.000 -0.031 0.000 0.960 361 Q CA 1.428 57.185 55.803 -0.076 0.000 0.847 361 Q CB -0.712 27.892 28.738 -0.223 0.000 0.915 361 Q HN 0.188 nan 8.270 nan 0.000 0.448 362 P HA -0.178 nan 4.420 nan 0.000 0.215 362 P C 1.096 178.421 177.300 0.041 0.000 1.157 362 P CA 1.302 64.406 63.100 0.007 0.000 0.868 362 P CB -0.103 31.601 31.700 0.006 0.000 0.788 363 M N -1.020 118.599 119.600 0.032 0.000 2.117 363 M HA -0.106 5.453 4.480 1.798 0.000 0.262 363 M C 1.926 178.303 176.300 0.127 0.000 1.065 363 M CA 1.766 57.104 55.300 0.063 0.000 1.114 363 M CB -1.268 31.365 32.600 0.055 0.000 1.361 363 M HN -0.204 nan 8.290 nan 0.000 0.408 364 I N -0.271 120.352 120.570 0.088 0.000 2.226 364 I HA -0.275 4.974 4.170 1.798 0.000 0.245 364 I C 2.362 178.523 176.117 0.073 0.000 1.100 364 I CA 1.224 62.573 61.300 0.082 0.000 1.374 364 I CB -0.771 37.253 38.000 0.040 0.000 1.057 364 I HN 0.383 nan 8.210 nan 0.000 0.413 365 A N 0.533 123.390 122.820 0.063 0.000 1.933 365 A HA -0.257 5.142 4.320 1.798 0.000 0.218 365 A C 2.243 179.854 177.584 0.046 0.000 1.175 365 A CA 1.466 53.526 52.037 0.038 0.000 0.628 365 A CB -0.954 18.046 19.000 -0.000 0.000 0.814 365 A HN 0.489 nan 8.150 nan 0.000 0.444 366 F N 0.545 120.467 119.950 -0.046 0.000 2.146 366 F HA -0.099 5.505 4.527 1.794 0.000 0.298 366 F C 1.829 177.595 175.800 -0.057 0.000 1.096 366 F CA 1.649 59.614 58.000 -0.058 0.000 1.275 366 F CB -0.202 38.748 39.000 -0.083 0.000 1.008 366 F HN 0.129 nan 8.300 nan 0.000 0.480 367 L N 0.025 121.282 121.223 0.057 0.000 2.131 367 L HA -0.178 5.241 4.340 1.798 0.000 0.210 367 L C 2.263 179.062 176.870 -0.118 0.000 1.092 367 L CA 1.565 56.380 54.840 -0.042 0.000 0.759 367 L CB -0.665 41.456 42.059 0.104 0.000 0.903 367 L HN 0.227 nan 8.230 nan 0.000 0.435 368 E N -0.207 119.946 120.200 -0.078 0.000 2.051 368 E HA -0.160 5.269 4.350 1.798 0.000 0.189 368 E C 1.694 178.210 176.600 -0.140 0.000 0.979 368 E CA 1.024 57.377 56.400 -0.079 0.000 0.803 368 E CB 0.063 29.739 29.700 -0.041 0.000 0.761 368 E HN 0.405 nan 8.360 nan 0.000 0.451 369 D N 0.380 120.676 120.400 -0.173 0.000 2.123 369 D HA -0.106 5.613 4.640 1.798 0.000 0.200 369 D C 1.688 177.849 176.300 -0.231 0.000 0.976 369 D CA 1.025 54.912 54.000 -0.187 0.000 0.831 369 D CB 0.095 40.814 40.800 -0.135 0.000 0.974 369 D HN 0.128 nan 8.370 nan 0.000 0.469 370 E N -0.485 119.470 120.200 -0.408 0.000 2.330 370 E HA 0.172 5.601 4.350 1.798 0.000 0.200 370 E C 1.951 178.293 176.600 -0.430 0.000 0.922 370 E CA 0.078 56.188 56.400 -0.483 0.000 0.935 370 E CB 0.482 29.635 29.700 -0.912 0.000 0.917 370 E HN 0.259 nan 8.360 nan 0.000 0.491 371 L N 0.833 121.793 121.223 -0.439 0.000 2.693 371 L HA 0.185 5.604 4.340 1.798 0.000 0.235 371 L C -0.101 176.665 176.870 -0.173 0.000 1.127 371 L CA -0.106 54.567 54.840 -0.278 0.000 0.914 371 L CB 0.194 42.102 42.059 -0.252 0.000 1.193 371 L HN -0.151 nan 8.230 nan 0.000 0.502 372 K N 0.295 120.595 120.400 -0.166 0.000 3.071 372 K HA -0.176 5.223 4.320 1.798 0.000 0.265 372 K C -0.327 176.243 176.600 -0.050 0.000 1.060 372 K CA 0.491 56.716 56.287 -0.104 0.000 0.767 372 K CB -2.156 30.288 32.500 -0.094 0.000 1.241 372 K HN 0.153 nan 8.250 nan 0.000 0.486 373 L N 0.788 121.993 121.223 -0.030 0.000 2.453 373 L HA 0.151 5.570 4.340 1.798 0.000 0.261 373 L C 1.341 178.245 176.870 0.058 0.000 1.179 373 L CA 0.343 55.218 54.840 0.058 0.000 0.813 373 L CB 0.887 43.008 42.059 0.104 0.000 1.110 373 L HN 0.322 nan 8.230 nan 0.000 0.466 374 S N 1.984 117.746 115.700 0.103 0.000 2.585 374 S HA 0.172 5.721 4.470 1.798 0.000 0.273 374 S C 1.222 175.813 174.600 -0.014 0.000 1.339 374 S CA -0.258 57.939 58.200 -0.005 0.000 1.028 374 S CB 0.583 63.717 63.200 -0.110 0.000 0.906 374 S HN 0.675 nan 8.310 nan 0.000 0.528 375 R N 1.788 122.258 120.500 -0.050 0.000 2.091 375 R HA -0.173 5.246 4.340 1.798 0.000 0.238 375 R C 2.268 178.539 176.300 -0.047 0.000 1.136 375 R CA 1.885 57.960 56.100 -0.040 0.000 0.959 375 R CB -0.449 29.814 30.300 -0.063 0.000 0.856 375 R HN 0.863 nan 8.270 nan 0.000 0.437 376 K N -0.359 119.968 120.400 -0.122 0.000 2.020 376 K HA -0.243 5.156 4.320 1.798 0.000 0.212 376 K C 1.835 178.402 176.600 -0.056 0.000 1.050 376 K CA 2.277 58.477 56.287 -0.145 0.000 0.929 376 K CB -0.261 32.085 32.500 -0.258 0.000 0.714 376 K HN 0.509 nan 8.250 nan 0.000 0.443 377 H N -0.666 118.435 119.070 0.053 0.000 2.299 377 H HA -0.039 5.596 4.556 1.798 0.000 0.302 377 H C 2.133 177.599 175.328 0.230 0.000 1.078 377 H CA 0.964 57.097 56.048 0.142 0.000 1.323 377 H CB -0.064 29.831 29.762 0.223 0.000 1.381 377 H HN 0.407 nan 8.280 nan 0.000 0.498 378 A N 0.708 123.700 122.820 0.286 0.000 1.948 378 A HA -0.180 5.219 4.320 1.798 0.000 0.220 378 A C 2.547 180.243 177.584 0.187 0.000 1.177 378 A CA 1.850 54.022 52.037 0.226 0.000 0.636 378 A CB -0.853 18.220 19.000 0.122 0.000 0.815 378 A HN 0.238 nan 8.150 nan 0.000 0.449 379 V N -0.263 119.715 119.914 0.107 0.000 2.379 379 V HA -0.181 5.018 4.120 1.798 0.000 0.245 379 V C 2.507 178.634 176.094 0.055 0.000 1.044 379 V CA 1.753 64.084 62.300 0.053 0.000 1.036 379 V CB -0.601 31.213 31.823 -0.015 0.000 0.664 379 V HN 0.568 nan 8.190 nan 0.000 0.453 380 L N -1.953 119.291 121.223 0.034 0.000 2.109 380 L HA -0.136 5.283 4.340 1.798 0.000 0.207 380 L C 2.362 179.207 176.870 -0.041 0.000 1.086 380 L CA 1.676 56.483 54.840 -0.055 0.000 0.760 380 L CB -0.478 41.494 42.059 -0.145 0.000 0.910 380 L HN 0.373 nan 8.230 nan 0.000 0.437 381 W N 0.124 121.480 121.300 0.094 0.000 2.388 381 W HA -0.148 5.592 4.660 1.800 0.000 0.294 381 W C 2.673 179.268 176.519 0.126 0.000 1.212 381 W CA 1.213 58.622 57.345 0.107 0.000 1.271 381 W CB -0.392 29.134 29.460 0.109 0.000 1.126 381 W HN -0.013 nan 8.180 nan 0.000 0.535 382 T N -0.056 114.698 114.554 0.333 0.000 2.821 382 T HA -0.165 5.264 4.350 1.798 0.000 0.267 382 T C 1.959 176.783 174.700 0.206 0.000 1.046 382 T CA 1.573 63.819 62.100 0.244 0.000 1.139 382 T CB -0.643 68.326 68.868 0.167 0.000 0.871 382 T HN 0.181 nan 8.240 nan 0.000 0.454 383 A N 1.526 124.435 122.820 0.148 0.000 1.902 383 A HA 0.121 5.520 4.320 1.798 0.000 0.217 383 A C 2.644 180.353 177.584 0.207 0.000 1.181 383 A CA 1.879 53.987 52.037 0.119 0.000 0.623 383 A CB -1.140 17.872 19.000 0.020 0.000 0.818 383 A HN 0.501 nan 8.150 nan 0.000 0.443 384 A N 0.137 123.075 122.820 0.197 0.000 1.877 384 A HA -0.117 5.282 4.320 1.798 0.000 0.216 384 A C 2.120 179.946 177.584 0.405 0.000 1.186 384 A CA 1.631 53.831 52.037 0.272 0.000 0.620 384 A CB -0.690 18.402 19.000 0.153 0.000 0.822 384 A HN 0.521 nan 8.150 nan 0.000 0.443 385 I N -0.531 120.271 120.570 0.386 0.000 2.286 385 I HA -0.199 5.050 4.170 1.798 0.000 0.248 385 I C 2.288 178.654 176.117 0.415 0.000 1.115 385 I CA 1.059 62.604 61.300 0.408 0.000 1.392 385 I CB -0.411 37.810 38.000 0.369 0.000 1.065 385 I HN 0.149 nan 8.210 nan 0.000 0.418 386 V N 0.683 120.806 119.914 0.348 0.000 2.323 386 V HA -0.269 4.930 4.120 1.798 0.000 0.244 386 V C 2.288 178.614 176.094 0.387 0.000 1.041 386 V CA 1.817 64.308 62.300 0.318 0.000 1.025 386 V CB -0.653 31.317 31.823 0.245 0.000 0.656 386 V HN 0.369 nan 8.190 nan 0.000 0.451 387 F N 0.656 120.769 119.950 0.272 0.000 2.102 387 F HA -0.241 5.365 4.527 1.798 0.000 0.298 387 F C 2.118 178.208 175.800 0.483 0.000 1.105 387 F CA 1.947 60.137 58.000 0.317 0.000 1.239 387 F CB -0.555 38.550 39.000 0.175 0.000 0.991 387 F HN 0.198 nan 8.300 nan 0.000 0.474 388 F N 0.962 121.055 119.950 0.239 0.000 2.075 388 F HA -0.179 5.426 4.527 1.797 0.000 0.297 388 F C 2.475 178.352 175.800 0.128 0.000 1.113 388 F CA 2.177 60.244 58.000 0.112 0.000 1.218 388 F CB -1.060 38.033 39.000 0.154 0.000 0.984 388 F HN -0.056 nan 8.300 nan 0.000 0.472 389 S N 0.614 116.363 115.700 0.081 0.000 2.419 389 S HA -0.128 5.421 4.470 1.798 0.000 0.233 389 S C 2.200 176.722 174.600 -0.129 0.000 1.016 389 S CA 0.872 59.035 58.200 -0.062 0.000 0.974 389 S CB -0.857 62.561 63.200 0.364 0.000 0.786 389 S HN 0.555 nan 8.310 nan 0.000 0.492 390 A N 0.975 123.775 122.820 -0.034 0.000 2.121 390 A HA -0.109 5.290 4.320 1.798 0.000 0.218 390 A C 1.590 178.953 177.584 -0.369 0.000 1.154 390 A CA 1.224 53.166 52.037 -0.158 0.000 0.679 390 A CB -0.712 18.242 19.000 -0.077 0.000 0.795 390 A HN 0.524 nan 8.150 nan 0.000 0.458 391 H N -1.305 117.543 119.070 -0.369 0.000 2.456 391 H HA -0.071 5.563 4.556 1.798 0.000 0.296 391 H C 1.790 177.046 175.328 -0.120 0.000 1.079 391 H CA 1.447 57.367 56.048 -0.212 0.000 1.322 391 H CB -0.073 29.517 29.762 -0.287 0.000 1.388 391 H HN 0.397 nan 8.280 nan 0.000 0.538 392 L N -0.057 121.066 121.223 -0.166 0.000 2.083 392 L HA -0.119 5.300 4.340 1.798 0.000 0.209 392 L C 2.042 178.865 176.870 -0.079 0.000 1.083 392 L CA 1.129 55.883 54.840 -0.143 0.000 0.752 392 L CB -0.409 41.497 42.059 -0.256 0.000 0.899 392 L HN 0.124 nan 8.230 nan 0.000 0.433 393 V N -0.875 118.954 119.914 -0.141 0.000 2.453 393 V HA -0.255 4.944 4.120 1.798 0.000 0.247 393 V C 2.442 178.374 176.094 -0.271 0.000 1.048 393 V CA 1.786 64.005 62.300 -0.135 0.000 1.049 393 V CB -0.412 31.354 31.823 -0.094 0.000 0.672 393 V HN 0.390 nan 8.190 nan 0.000 0.457 394 M N -1.525 117.736 119.600 -0.566 0.000 2.296 394 M HA -0.041 5.518 4.480 1.798 0.000 0.265 394 M C 1.696 177.629 176.300 -0.611 0.000 1.064 394 M CA 1.997 56.798 55.300 -0.832 0.000 1.109 394 M CB -0.166 31.737 32.600 -1.161 0.000 1.396 394 M HN 0.334 nan 8.290 nan 0.000 0.430 395 F N -1.241 118.599 119.950 -0.184 0.000 2.740 395 F HA 0.260 5.866 4.527 1.798 0.000 0.304 395 F C 0.350 176.109 175.800 -0.068 0.000 1.098 395 F CA -0.422 57.517 58.000 -0.102 0.000 1.258 395 F CB 0.584 39.531 39.000 -0.088 0.000 1.061 395 F HN -0.099 nan 8.300 nan 0.000 0.598 396 L N 1.451 122.726 121.223 0.086 0.000 2.276 396 L HA 0.412 5.831 4.340 1.798 0.000 0.286 396 L C -0.168 176.713 176.870 0.019 0.000 1.024 396 L CA -0.640 54.224 54.840 0.039 0.000 0.826 396 L CB 0.172 42.238 42.059 0.012 0.000 1.211 396 L HN -0.110 nan 8.230 nan 0.000 0.422 397 N N 4.564 123.275 118.700 0.018 0.000 2.357 397 N HA 0.009 5.828 4.740 1.798 0.000 0.257 397 N C 0.270 175.793 175.510 0.021 0.000 1.250 397 N CA 0.641 53.704 53.050 0.022 0.000 0.862 397 N CB 0.352 38.849 38.487 0.018 0.000 1.066 397 N HN 0.459 nan 8.380 nan 0.000 0.468 398 K N 0.073 120.492 120.400 0.033 0.000 3.500 398 K HA -0.212 5.187 4.320 1.798 0.000 0.313 398 K C 1.076 177.690 176.600 0.023 0.000 1.338 398 K CA 1.028 57.330 56.287 0.025 0.000 0.963 398 K CB -2.022 30.484 32.500 0.010 0.000 1.267 398 K HN 0.544 nan 8.250 nan 0.000 0.448 399 S N 0.579 116.296 115.700 0.029 0.000 2.383 399 S HA 0.003 5.552 4.470 1.798 0.000 0.227 399 S C 1.791 176.409 174.600 0.030 0.000 1.026 399 S CA 1.298 59.522 58.200 0.040 0.000 0.981 399 S CB 0.023 63.242 63.200 0.032 0.000 0.818 399 S HN 0.436 nan 8.310 nan 0.000 0.472 400 L N 1.234 122.466 121.223 0.015 0.000 2.017 400 L HA -0.124 5.295 4.340 1.798 0.000 0.208 400 L C 1.909 178.663 176.870 -0.193 0.000 1.073 400 L CA 2.148 56.944 54.840 -0.073 0.000 0.745 400 L CB -0.566 41.524 42.059 0.052 0.000 0.894 400 L HN 0.214 nan 8.230 nan 0.000 0.432 401 D N -0.351 120.009 120.400 -0.068 0.000 2.123 401 D HA -0.247 5.472 4.640 1.798 0.000 0.196 401 D C 2.065 178.337 176.300 -0.046 0.000 0.992 401 D CA 1.397 55.354 54.000 -0.073 0.000 0.833 401 D CB -0.054 40.721 40.800 -0.042 0.000 0.954 401 D HN 0.365 nan 8.370 nan 0.000 0.455 402 E N 0.035 120.245 120.200 0.018 0.000 2.072 402 E HA -0.081 5.348 4.350 1.798 0.000 0.191 402 E C 2.161 178.927 176.600 0.276 0.000 0.985 402 E CA 0.896 57.392 56.400 0.160 0.000 0.801 402 E CB -0.091 29.724 29.700 0.192 0.000 0.750 402 E HN 0.253 nan 8.360 nan 0.000 0.452 403 M N -0.031 119.648 119.600 0.131 0.000 2.132 403 M HA -0.103 5.456 4.480 1.798 0.000 0.263 403 M C 1.894 178.242 176.300 0.080 0.000 1.065 403 M CA 1.703 57.093 55.300 0.151 0.000 1.122 403 M CB -0.325 32.361 32.600 0.143 0.000 1.365 403 M HN 0.062 nan 8.290 nan 0.000 0.411 404 D N 0.391 120.651 120.400 -0.234 0.000 2.144 404 D HA -0.186 5.533 4.640 1.798 0.000 0.199 404 D C 1.678 178.010 176.300 0.053 0.000 0.984 404 D CA 1.227 55.137 54.000 -0.150 0.000 0.834 404 D CB -0.022 40.584 40.800 -0.322 0.000 0.955 404 D HN 0.276 nan 8.370 nan 0.000 0.465 405 F N -0.628 119.241 119.950 -0.134 0.000 2.060 405 F HA -0.023 5.585 4.527 1.802 0.000 0.295 405 F C 1.755 177.435 175.800 -0.200 0.000 1.120 405 F CA 1.495 59.342 58.000 -0.255 0.000 1.205 405 F CB -0.702 38.022 39.000 -0.460 0.000 0.986 405 F HN 0.019 nan 8.300 nan 0.000 0.470 406 W N 0.142 121.479 121.300 0.062 0.000 2.381 406 W HA -0.024 5.713 4.660 1.795 0.000 0.301 406 W C 2.548 179.109 176.519 0.070 0.000 1.205 406 W CA 1.543 58.909 57.345 0.035 0.000 1.285 406 W CB -0.791 28.851 29.460 0.303 0.000 1.133 406 W HN 0.120 nan 8.180 nan 0.000 0.521 407 A N -0.422 122.552 122.820 0.256 0.000 1.901 407 A HA 0.206 5.605 4.320 1.798 0.000 0.210 407 A C 2.125 179.749 177.584 0.067 0.000 1.208 407 A CA 1.322 53.412 52.037 0.089 0.000 0.644 407 A CB -1.212 17.692 19.000 -0.159 0.000 0.863 407 A HN 0.239 nan 8.150 nan 0.000 0.454 408 G N -1.894 107.015 108.800 0.182 0.000 2.777 408 G HA2 0.239 5.278 3.960 1.798 0.000 0.211 408 G HA3 0.239 5.278 3.960 1.798 0.000 0.211 408 G C 1.148 176.173 174.900 0.209 0.000 1.149 408 G CA 1.496 46.801 45.100 0.343 0.000 0.785 408 G HN 0.426 nan 8.290 nan 0.000 0.536 409 T N 0.130 114.666 114.554 -0.031 0.000 3.221 409 T HA 0.197 5.626 4.350 1.798 0.000 0.250 409 T C 2.154 176.675 174.700 -0.298 0.000 0.988 409 T CA -0.067 61.932 62.100 -0.167 0.000 1.163 409 T CB 0.124 68.829 68.868 -0.271 0.000 1.098 409 T HN -0.037 nan 8.240 nan 0.000 0.422 410 I N 2.151 122.471 120.570 -0.416 0.000 2.162 410 I HA 0.047 5.296 4.170 1.798 0.000 0.238 410 I C 2.938 179.128 176.117 0.120 0.000 1.076 410 I CA 1.706 62.886 61.300 -0.200 0.000 1.353 410 I CB -1.892 35.918 38.000 -0.317 0.000 1.063 410 I HN 0.368 nan 8.210 nan 0.000 0.408 411 G N 1.880 110.742 108.800 0.102 0.000 2.513 411 G HA2 -0.250 4.789 3.960 1.798 0.000 0.219 411 G HA3 -0.250 4.789 3.960 1.798 0.000 0.219 411 G C 1.845 176.792 174.900 0.079 0.000 1.160 411 G CA 2.184 47.383 45.100 0.166 0.000 0.767 411 G HN 0.381 nan 8.290 nan 0.000 0.571 412 V N -0.777 119.066 119.914 -0.118 0.000 2.287 412 V HA -0.189 5.010 4.120 1.798 0.000 0.248 412 V C 2.734 178.649 176.094 -0.299 0.000 1.053 412 V CA 1.965 64.136 62.300 -0.214 0.000 1.027 412 V CB -1.168 30.412 31.823 -0.404 0.000 0.646 412 V HN 0.180 nan 8.190 nan 0.000 0.447 413 V N 0.115 119.680 119.914 -0.582 0.000 2.233 413 V HA -0.232 4.967 4.120 1.798 0.000 0.247 413 V C 2.450 178.385 176.094 -0.265 0.000 1.050 413 V CA 2.706 64.535 62.300 -0.784 0.000 1.010 413 V CB -1.022 30.436 31.823 -0.607 0.000 0.637 413 V HN 0.476 nan 8.190 nan 0.000 0.444 414 F N -0.946 118.952 119.950 -0.087 0.000 2.120 414 F HA -0.229 5.371 4.527 1.788 0.000 0.300 414 F C 2.173 178.010 175.800 0.063 0.000 1.095 414 F CA 2.219 60.214 58.000 -0.010 0.000 1.249 414 F CB -0.650 38.325 39.000 -0.041 0.000 0.995 414 F HN 0.112 nan 8.300 nan 0.000 0.480 415 F N 0.701 120.718 119.950 0.113 0.000 2.163 415 F HA 0.043 5.642 4.527 1.788 0.000 0.297 415 F C 2.401 178.329 175.800 0.214 0.000 1.094 415 F CA 1.177 59.267 58.000 0.150 0.000 1.290 415 F CB -1.113 37.976 39.000 0.148 0.000 1.017 415 F HN -0.072 nan 8.300 nan 0.000 0.483 416 G N 0.631 109.602 108.800 0.285 0.000 2.514 416 G HA2 -0.332 4.707 3.960 1.798 0.000 0.217 416 G HA3 -0.332 4.707 3.960 1.798 0.000 0.217 416 G C 1.650 176.651 174.900 0.167 0.000 1.198 416 G CA 1.134 46.457 45.100 0.372 0.000 0.780 416 G HN 0.401 nan 8.290 nan 0.000 0.565 417 L N 0.866 122.159 121.223 0.116 0.000 2.127 417 L HA -0.013 5.406 4.340 1.798 0.000 0.211 417 L C 2.820 179.652 176.870 -0.063 0.000 1.089 417 L CA 2.623 57.470 54.840 0.012 0.000 0.757 417 L CB -0.847 41.191 42.059 -0.035 0.000 0.899 417 L HN 0.216 nan 8.230 nan 0.000 0.434 418 T N -0.079 114.445 114.554 -0.050 0.000 2.770 418 T HA -0.144 5.285 4.350 1.798 0.000 0.263 418 T C 1.594 176.143 174.700 -0.252 0.000 1.039 418 T CA 1.335 63.367 62.100 -0.114 0.000 1.142 418 T CB -0.196 68.683 68.868 0.017 0.000 0.868 418 T HN 0.677 nan 8.240 nan 0.000 0.435 419 E N 1.404 121.449 120.200 -0.259 0.000 2.110 419 E HA -0.120 5.309 4.350 1.798 0.000 0.193 419 E C 2.298 178.849 176.600 -0.081 0.000 0.988 419 E CA 0.925 57.182 56.400 -0.238 0.000 0.804 419 E CB -0.642 28.997 29.700 -0.103 0.000 0.745 419 E HN 0.392 nan 8.360 nan 0.000 0.458 420 L N 0.854 122.077 121.223 0.000 0.000 1.994 420 L HA -0.147 5.272 4.340 1.798 0.000 0.208 420 L C 2.623 179.547 176.870 0.090 0.000 1.071 420 L CA 1.282 56.199 54.840 0.129 0.000 0.745 420 L CB -0.146 41.948 42.059 0.058 0.000 0.892 420 L HN 0.161 nan 8.230 nan 0.000 0.431 421 I N -0.186 120.292 120.570 -0.153 0.000 2.208 421 I HA -0.365 4.885 4.170 1.798 0.000 0.245 421 I C 2.355 178.401 176.117 -0.120 0.000 1.097 421 I CA 1.585 62.708 61.300 -0.296 0.000 1.363 421 I CB -0.255 37.494 38.000 -0.418 0.000 1.051 421 I HN 0.291 nan 8.210 nan 0.000 0.413 422 I N -0.517 119.930 120.570 -0.205 0.000 2.394 422 I HA -0.284 4.965 4.170 1.798 0.000 0.251 422 I C 2.394 178.544 176.117 0.054 0.000 1.136 422 I CA 1.271 62.436 61.300 -0.225 0.000 1.425 422 I CB -0.286 37.407 38.000 -0.512 0.000 1.079 422 I HN 0.178 nan 8.210 nan 0.000 0.425 423 F N 0.910 120.817 119.950 -0.071 0.000 2.123 423 F HA -0.017 5.580 4.527 1.783 0.000 0.289 423 F C 1.863 177.688 175.800 0.042 0.000 1.099 423 F CA 1.282 59.253 58.000 -0.047 0.000 1.234 423 F CB -0.449 38.524 39.000 -0.044 0.000 1.034 423 F HN -0.142 nan 8.300 nan 0.000 0.479 424 F N -2.083 117.964 119.950 0.161 0.000 2.732 424 F HA 0.042 5.644 4.527 1.792 0.000 0.303 424 F C 0.619 176.512 175.800 0.154 0.000 1.110 424 F CA 0.137 58.177 58.000 0.067 0.000 1.355 424 F CB -0.071 39.001 39.000 0.120 0.000 1.081 424 F HN 0.011 nan 8.300 nan 0.000 0.565 425 W N -1.593 119.685 121.300 -0.036 0.000 4.654 425 W HA 0.283 6.022 4.660 1.798 0.000 0.196 425 W C 1.904 178.362 176.519 -0.101 0.000 0.957 425 W CA -0.180 57.111 57.345 -0.090 0.000 2.022 425 W CB -0.667 28.730 29.460 -0.106 0.000 0.791 425 W HN -0.294 nan 8.180 nan 0.000 0.953 426 I N -0.005 120.650 120.570 0.142 0.000 2.193 426 I HA -0.264 4.985 4.170 1.798 0.000 0.240 426 I C 2.327 178.503 176.117 0.098 0.000 1.084 426 I CA 1.637 62.951 61.300 0.023 0.000 1.365 426 I CB -0.645 37.213 38.000 -0.237 0.000 1.064 426 I HN -0.113 nan 8.210 nan 0.000 0.410 427 F N 1.726 121.661 119.950 -0.025 0.000 2.134 427 F HA 0.053 5.650 4.527 1.784 0.000 0.299 427 F C 1.075 176.800 175.800 -0.124 0.000 1.097 427 F CA 1.310 59.280 58.000 -0.049 0.000 1.264 427 F CB -0.148 38.804 39.000 -0.081 0.000 1.001 427 F HN 0.093 nan 8.300 nan 0.000 0.479 428 G N -0.862 107.816 108.800 -0.203 0.000 2.951 428 G HA2 0.297 5.336 3.960 1.798 0.000 0.508 428 G HA3 0.297 5.336 3.960 1.798 0.000 0.508 428 G C 0.432 175.141 174.900 -0.318 0.000 1.203 428 G CA -0.386 44.526 45.100 -0.314 0.000 1.209 428 G HN 0.622 nan 8.290 nan 0.000 0.552 429 A N 1.791 124.455 122.820 -0.259 0.000 1.940 429 A HA -0.139 5.260 4.320 1.798 0.000 0.221 429 A C 2.105 179.603 177.584 -0.144 0.000 1.190 429 A CA 2.791 54.685 52.037 -0.239 0.000 0.647 429 A CB -0.270 18.585 19.000 -0.241 0.000 0.821 429 A HN 0.644 nan 8.150 nan 0.000 0.457 430 D N -0.758 119.606 120.400 -0.059 0.000 2.097 430 D HA -0.078 5.641 4.640 1.798 0.000 0.197 430 D C 2.005 178.296 176.300 -0.016 0.000 0.984 430 D CA 1.397 55.425 54.000 0.046 0.000 0.826 430 D CB -0.264 40.530 40.800 -0.011 0.000 0.973 430 D HN 0.514 nan 8.370 nan 0.000 0.460 431 K N 0.435 120.733 120.400 -0.170 0.000 2.097 431 K HA -0.013 5.386 4.320 1.798 0.000 0.206 431 K C 2.040 178.573 176.600 -0.111 0.000 1.049 431 K CA 1.011 57.202 56.287 -0.160 0.000 0.933 431 K CB -0.001 32.240 32.500 -0.431 0.000 0.717 431 K HN 0.018 nan 8.250 nan 0.000 0.442 432 A N 1.268 123.843 122.820 -0.408 0.000 1.873 432 A HA -0.189 5.210 4.320 1.798 0.000 0.215 432 A C 1.912 179.209 177.584 -0.480 0.000 1.186 432 A CA 1.028 52.458 52.037 -1.012 0.000 0.616 432 A CB -0.953 16.644 19.000 -2.338 0.000 0.823 432 A HN 0.611 nan 8.150 nan 0.000 0.442 433 W N 0.913 121.984 121.300 -0.383 0.000 2.342 433 W HA -0.191 5.545 4.660 1.793 0.000 0.297 433 W C 1.875 178.388 176.519 -0.011 0.000 1.213 433 W CA 2.050 59.389 57.345 -0.011 0.000 1.251 433 W CB -0.089 29.497 29.460 0.210 0.000 1.136 433 W HN 0.630 nan 8.180 nan 0.000 0.526 434 E N 0.542 120.763 120.200 0.035 0.000 2.046 434 E HA -0.292 5.137 4.350 1.798 0.000 0.190 434 E C 2.010 178.571 176.600 -0.064 0.000 0.982 434 E CA 1.660 58.041 56.400 -0.031 0.000 0.800 434 E CB -0.324 29.401 29.700 0.041 0.000 0.756 434 E HN 0.204 nan 8.360 nan 0.000 0.449 435 E N 0.753 120.953 120.200 0.001 0.000 2.085 435 E HA -0.183 5.246 4.350 1.798 0.000 0.194 435 E C 1.952 178.571 176.600 0.032 0.000 0.994 435 E CA 1.549 57.993 56.400 0.073 0.000 0.801 435 E CB -0.225 29.578 29.700 0.173 0.000 0.743 435 E HN 0.390 nan 8.360 nan 0.000 0.453 436 I N 0.696 121.252 120.570 -0.024 0.000 2.394 436 I HA -0.198 5.051 4.170 1.798 0.000 0.251 436 I C 1.748 177.691 176.117 -0.290 0.000 1.136 436 I CA 0.762 62.008 61.300 -0.089 0.000 1.425 436 I CB -0.265 37.683 38.000 -0.086 0.000 1.079 436 I HN 0.181 nan 8.210 nan 0.000 0.425 437 N N 0.672 119.150 118.700 -0.370 0.000 2.356 437 N HA 0.006 5.825 4.740 1.798 0.000 0.178 437 N C 0.831 176.217 175.510 -0.208 0.000 1.075 437 N CA 0.043 52.855 53.050 -0.396 0.000 0.889 437 N CB 0.155 38.324 38.487 -0.531 0.000 0.999 437 N HN 0.251 nan 8.380 nan 0.000 0.464 438 R N 0.582 121.010 120.500 -0.120 0.000 2.484 438 R HA 0.122 5.541 4.340 1.798 0.000 0.293 438 R C 0.795 177.072 176.300 -0.038 0.000 1.023 438 R CA 1.085 57.154 56.100 -0.051 0.000 1.037 438 R CB -0.058 30.243 30.300 0.003 0.000 0.951 438 R HN 0.254 nan 8.270 nan 0.000 0.418 439 G N 2.658 111.439 108.800 -0.031 0.000 2.148 439 G HA2 -0.254 4.785 3.960 1.798 0.000 0.254 439 G HA3 -0.254 4.785 3.960 1.798 0.000 0.254 439 G C 0.321 175.197 174.900 -0.040 0.000 0.981 439 G CA -0.005 45.084 45.100 -0.018 0.000 0.670 439 G HN 0.940 nan 8.290 nan 0.000 0.528 440 G N -0.236 108.515 108.800 -0.081 0.000 2.367 440 G HA2 0.479 5.518 3.960 1.798 0.000 0.280 440 G HA3 0.479 5.518 3.960 1.798 0.000 0.280 440 G C 1.232 176.083 174.900 -0.082 0.000 1.175 440 G CA -0.002 45.030 45.100 -0.113 0.000 1.001 440 G HN 0.436 nan 8.290 nan 0.000 0.437 441 I N 2.076 122.606 120.570 -0.066 0.000 2.264 441 I HA -0.107 5.142 4.170 1.798 0.000 0.248 441 I C 1.483 177.568 176.117 -0.053 0.000 1.111 441 I CA 1.256 62.528 61.300 -0.047 0.000 1.382 441 I CB -0.207 37.771 38.000 -0.037 0.000 1.060 441 I HN 0.602 nan 8.210 nan 0.000 0.418 442 I N -3.208 117.317 120.570 -0.076 0.000 3.206 442 I HA 0.505 5.754 4.170 1.798 0.000 0.313 442 I C -0.796 175.238 176.117 -0.139 0.000 1.103 442 I CA -0.989 60.265 61.300 -0.078 0.000 0.985 442 I CB 1.869 39.839 38.000 -0.050 0.000 1.240 442 I HN -0.314 nan 8.210 nan 0.000 0.464 443 K N 2.165 122.484 120.400 -0.135 0.000 2.208 443 K HA 0.516 5.915 4.320 1.798 0.000 0.247 443 K C -1.031 175.415 176.600 -0.255 0.000 0.953 443 K CA -0.862 55.299 56.287 -0.209 0.000 0.837 443 K CB 2.602 35.029 32.500 -0.121 0.000 1.131 443 K HN 0.519 nan 8.250 nan 0.000 0.431 444 V N 3.595 123.238 119.914 -0.451 0.000 2.521 444 V HA 0.076 5.275 4.120 1.798 0.000 0.286 444 V C -2.069 174.053 176.094 0.048 0.000 1.034 444 V CA -1.420 60.586 62.300 -0.491 0.000 1.045 444 V CB 0.439 31.695 31.823 -0.945 0.000 0.974 444 V HN 0.515 nan 8.190 nan 0.000 0.480 445 P HA 0.044 nan 4.420 nan 0.000 0.257 445 P C 0.941 178.508 177.300 0.445 0.000 1.227 445 P CA 0.164 63.451 63.100 0.311 0.000 0.981 445 P CB 0.096 32.006 31.700 0.349 0.000 1.044 446 R N 4.561 125.321 120.500 0.433 0.000 2.365 446 R HA -0.327 5.092 4.340 1.798 0.000 0.230 446 R C 1.765 178.176 176.300 0.185 0.000 1.047 446 R CA 2.725 59.007 56.100 0.303 0.000 0.825 446 R CB -1.553 28.835 30.300 0.146 0.000 0.972 446 R HN 0.388 nan 8.270 nan 0.000 0.396 447 I N -0.272 120.413 120.570 0.192 0.000 2.191 447 I HA -0.397 4.852 4.170 1.798 0.000 0.248 447 I C 1.832 178.062 176.117 0.188 0.000 1.061 447 I CA 2.248 63.644 61.300 0.161 0.000 1.329 447 I CB -0.292 37.714 38.000 0.010 0.000 1.024 447 I HN 0.457 nan 8.210 nan 0.000 0.423 448 Y N -0.767 119.676 120.300 0.239 0.000 2.193 448 Y HA -0.378 5.250 4.550 1.797 0.000 0.285 448 Y C 2.403 178.399 175.900 0.160 0.000 1.166 448 Y CA 2.303 60.558 58.100 0.258 0.000 1.181 448 Y CB -0.728 37.981 38.460 0.416 0.000 0.976 448 Y HN 0.419 nan 8.280 nan 0.000 0.520 449 Y N -0.665 119.588 120.300 -0.079 0.000 2.139 449 Y HA -0.416 5.216 4.550 1.803 0.000 0.282 449 Y C 1.680 177.360 175.900 -0.367 0.000 1.179 449 Y CA 1.943 59.721 58.100 -0.536 0.000 1.161 449 Y CB -0.725 36.874 38.460 -1.435 0.000 0.970 449 Y HN 0.155 nan 8.280 nan 0.000 0.511 450 Y N -1.581 118.831 120.300 0.187 0.000 2.519 450 Y HA -0.052 5.578 4.550 1.800 0.000 0.287 450 Y C 2.225 178.204 175.900 0.132 0.000 1.128 450 Y CA 0.896 59.126 58.100 0.216 0.000 1.282 450 Y CB -0.275 38.284 38.460 0.165 0.000 1.027 450 Y HN -0.017 nan 8.280 nan 0.000 0.551 451 V N 0.185 120.207 119.914 0.181 0.000 3.129 451 V HA -0.222 4.977 4.120 1.798 0.000 0.259 451 V C 1.678 177.805 176.094 0.055 0.000 1.116 451 V CA 1.588 63.955 62.300 0.111 0.000 1.127 451 V CB -0.512 31.341 31.823 0.050 0.000 0.742 451 V HN 0.481 nan 8.190 nan 0.000 0.474 452 M N -0.524 119.031 119.600 -0.075 0.000 2.514 452 M HA 0.233 5.792 4.480 1.798 0.000 0.258 452 M C 2.093 178.225 176.300 -0.280 0.000 1.159 452 M CA 0.701 55.844 55.300 -0.262 0.000 1.116 452 M CB -0.204 32.026 32.600 -0.616 0.000 1.333 452 M HN 0.095 nan 8.290 nan 0.000 0.487 453 R N -0.094 120.221 120.500 -0.308 0.000 2.276 453 R HA 0.060 5.479 4.340 1.798 0.000 0.196 453 R C 0.328 176.383 176.300 -0.408 0.000 0.961 453 R CA 1.283 57.157 56.100 -0.378 0.000 1.024 453 R CB 0.250 30.083 30.300 -0.777 0.000 0.940 453 R HN 0.418 nan 8.270 nan 0.000 0.480 454 Y N -2.608 117.795 120.300 0.172 0.000 3.189 454 Y HA 0.193 5.826 4.550 1.806 0.000 0.213 454 Y C 1.523 177.513 175.900 0.151 0.000 1.032 454 Y CA -0.570 57.659 58.100 0.215 0.000 1.482 454 Y CB 0.096 38.654 38.460 0.163 0.000 1.460 454 Y HN -0.201 nan 8.280 nan 0.000 0.398 455 I N 0.788 121.525 120.570 0.279 0.000 2.060 455 I HA -0.247 5.002 4.170 1.798 0.000 0.233 455 I C 2.044 178.263 176.117 0.170 0.000 1.054 455 I CA 2.162 63.575 61.300 0.190 0.000 1.318 455 I CB -1.645 36.422 38.000 0.111 0.000 1.054 455 I HN 0.254 nan 8.210 nan 0.000 0.395 456 T N 2.804 117.413 114.554 0.092 0.000 2.594 456 T HA -0.156 5.273 4.350 1.798 0.000 0.266 456 T C -0.342 174.435 174.700 0.128 0.000 1.070 456 T CA 2.595 64.740 62.100 0.076 0.000 1.166 456 T CB -1.779 67.097 68.868 0.014 0.000 0.862 456 T HN 0.335 nan 8.240 nan 0.000 0.436 457 P HA -0.061 nan 4.420 nan 0.000 0.215 457 P C 1.513 178.837 177.300 0.040 0.000 1.153 457 P CA 1.708 64.807 63.100 -0.001 0.000 0.853 457 P CB -0.261 31.367 31.700 -0.120 0.000 0.788 458 A N -0.269 122.615 122.820 0.107 0.000 1.851 458 A HA -0.204 5.195 4.320 1.798 0.000 0.216 458 A C 2.220 179.872 177.584 0.114 0.000 1.195 458 A CA 1.539 53.639 52.037 0.104 0.000 0.622 458 A CB -1.927 17.160 19.000 0.145 0.000 0.831 458 A HN 0.061 nan 8.150 nan 0.000 0.444 459 F N 0.468 120.432 119.950 0.023 0.000 2.063 459 F HA -0.272 5.332 4.527 1.795 0.000 0.298 459 F C 2.132 177.958 175.800 0.044 0.000 1.105 459 F CA 2.222 60.239 58.000 0.028 0.000 1.215 459 F CB -0.286 38.743 39.000 0.048 0.000 0.972 459 F HN 0.156 nan 8.300 nan 0.000 0.483 460 L N -0.958 120.413 121.223 0.246 0.000 2.056 460 L HA -0.204 5.215 4.340 1.798 0.000 0.207 460 L C 2.743 179.618 176.870 0.009 0.000 1.078 460 L CA 1.068 55.996 54.840 0.147 0.000 0.749 460 L CB -1.230 40.913 42.059 0.140 0.000 0.901 460 L HN 0.209 nan 8.230 nan 0.000 0.433 461 A N -0.037 122.770 122.820 -0.022 0.000 1.883 461 A HA -0.180 5.219 4.320 1.798 0.000 0.217 461 A C 2.360 179.888 177.584 -0.093 0.000 1.186 461 A CA 1.995 53.987 52.037 -0.075 0.000 0.624 461 A CB -0.943 18.018 19.000 -0.065 0.000 0.822 461 A HN 0.186 nan 8.150 nan 0.000 0.444 462 V N -0.129 119.731 119.914 -0.090 0.000 2.287 462 V HA -0.278 4.921 4.120 1.798 0.000 0.248 462 V C 2.486 178.517 176.094 -0.105 0.000 1.053 462 V CA 2.140 64.365 62.300 -0.124 0.000 1.027 462 V CB -0.960 30.750 31.823 -0.189 0.000 0.646 462 V HN 0.642 nan 8.190 nan 0.000 0.447 463 L N -0.021 121.169 121.223 -0.055 0.000 1.944 463 L HA -0.196 5.223 4.340 1.798 0.000 0.218 463 L C 2.252 179.197 176.870 0.125 0.000 1.075 463 L CA 2.063 56.976 54.840 0.122 0.000 0.767 463 L CB -0.766 41.403 42.059 0.183 0.000 0.890 463 L HN 0.202 nan 8.230 nan 0.000 0.434 464 L N -1.197 120.051 121.223 0.042 0.000 2.197 464 L HA -0.266 5.153 4.340 1.798 0.000 0.215 464 L C 2.329 178.794 176.870 -0.676 0.000 1.095 464 L CA 1.082 55.752 54.840 -0.283 0.000 0.764 464 L CB -0.582 41.255 42.059 -0.371 0.000 0.897 464 L HN 0.280 nan 8.230 nan 0.000 0.436 465 V N -1.426 118.251 119.914 -0.396 0.000 2.374 465 V HA -0.162 5.037 4.120 1.798 0.000 0.241 465 V C 2.259 178.147 176.094 -0.343 0.000 1.034 465 V CA 0.892 62.991 62.300 -0.335 0.000 1.037 465 V CB 0.413 32.126 31.823 -0.183 0.000 0.682 465 V HN 0.077 nan 8.190 nan 0.000 0.463 466 V N 1.291 121.071 119.914 -0.224 0.000 2.223 466 V HA -0.324 4.876 4.120 1.798 0.000 0.246 466 V C 2.400 178.442 176.094 -0.086 0.000 1.045 466 V CA 2.930 65.173 62.300 -0.095 0.000 1.004 466 V CB -1.036 30.801 31.823 0.024 0.000 0.641 466 V HN 0.866 nan 8.190 nan 0.000 0.457 467 W N 1.051 122.355 121.300 0.006 0.000 2.342 467 W HA -0.141 5.595 4.660 1.794 0.000 0.297 467 W C 2.183 178.727 176.519 0.042 0.000 1.213 467 W CA 1.357 58.718 57.345 0.026 0.000 1.251 467 W CB -1.481 27.998 29.460 0.031 0.000 1.136 467 W HN 0.329 nan 8.180 nan 0.000 0.526 468 A N 1.472 123.744 122.820 -0.913 0.000 2.178 468 A HA -0.149 5.250 4.320 1.798 0.000 0.218 468 A C 2.182 179.614 177.584 -0.253 0.000 1.157 468 A CA 1.565 53.162 52.037 -0.734 0.000 0.689 468 A CB -0.959 17.473 19.000 -0.947 0.000 0.787 468 A HN 0.381 nan 8.150 nan 0.000 0.465 469 R N -0.358 120.038 120.500 -0.175 0.000 2.105 469 R HA -0.108 5.311 4.340 1.798 0.000 0.239 469 R C 0.269 176.562 176.300 -0.012 0.000 1.135 469 R CA 1.619 57.674 56.100 -0.074 0.000 0.967 469 R CB 0.018 30.290 30.300 -0.047 0.000 0.861 469 R HN 0.693 nan 8.270 nan 0.000 0.442 478 E N 0.802 121.071 120.200 0.114 0.000 2.404 478 E HA 0.820 6.250 4.350 1.798 0.000 0.264 478 E C -0.541 176.123 176.600 0.107 0.000 0.946 478 E CA -0.823 55.661 56.400 0.140 0.000 0.806 478 E CB 2.831 32.609 29.700 0.131 0.000 1.334 478 E HN 0.106 nan 8.360 nan 0.000 0.429 479 T N -1.016 113.619 114.554 0.136 0.000 2.891 479 T HA 0.055 5.484 4.350 1.798 0.000 0.317 479 T C -1.661 173.154 174.700 0.190 0.000 1.838 479 T CA -0.748 61.418 62.100 0.110 0.000 1.018 479 T CB -0.055 68.832 68.868 0.031 0.000 1.941 479 T HN 0.696 nan 8.240 nan 0.000 0.534 480 H N 2.712 121.804 119.070 0.037 0.000 3.163 480 H HA 0.032 5.667 4.556 1.798 0.000 0.321 480 H C 1.546 176.929 175.328 0.092 0.000 1.006 480 H CA 1.191 57.253 56.048 0.023 0.000 1.344 480 H CB 0.370 30.076 29.762 -0.094 0.000 1.272 480 H HN 0.622 nan 8.280 nan 0.000 0.594 481 W N 3.680 124.878 121.300 -0.169 0.000 2.721 481 W HA -0.098 5.641 4.660 1.798 0.000 0.245 481 W C 0.709 177.212 176.519 -0.027 0.000 1.276 481 W CA 0.910 58.245 57.345 -0.017 0.000 1.342 481 W CB -0.959 28.469 29.460 -0.053 0.000 1.135 481 W HN 0.596 nan 8.180 nan 0.000 0.654 482 T N -0.337 113.695 114.554 -0.870 0.000 3.043 482 T HA -0.117 5.312 4.350 1.798 0.000 0.263 482 T C 2.031 176.634 174.700 -0.161 0.000 1.094 482 T CA 1.293 62.967 62.100 -0.710 0.000 1.127 482 T CB -0.872 67.543 68.868 -0.755 0.000 0.905 482 T HN 0.146 nan 8.240 nan 0.000 0.490 483 V N -1.961 117.906 119.914 -0.079 0.000 2.469 483 V HA -0.066 5.133 4.120 1.798 0.000 0.251 483 V C 2.156 178.251 176.094 0.001 0.000 1.064 483 V CA 0.916 63.188 62.300 -0.046 0.000 1.066 483 V CB -1.478 30.273 31.823 -0.120 0.000 0.667 483 V HN 0.606 nan 8.190 nan 0.000 0.461 484 W N 0.200 121.573 121.300 0.121 0.000 2.425 484 W HA 0.120 5.857 4.660 1.796 0.000 0.277 484 W C 2.333 178.976 176.519 0.207 0.000 1.231 484 W CA 0.990 58.436 57.345 0.168 0.000 1.248 484 W CB -0.187 29.378 29.460 0.174 0.000 1.117 484 W HN 0.226 nan 8.180 nan 0.000 0.568 485 I N -0.588 120.211 120.570 0.381 0.000 2.202 485 I HA -0.293 4.956 4.170 1.798 0.000 0.242 485 I C 2.271 178.605 176.117 0.362 0.000 1.091 485 I CA 1.464 62.966 61.300 0.337 0.000 1.368 485 I CB -1.061 37.051 38.000 0.186 0.000 1.058 485 I HN -0.166 nan 8.210 nan 0.000 0.410 486 T N 0.422 115.126 114.554 0.251 0.000 2.777 486 T HA -0.119 5.310 4.350 1.798 0.000 0.266 486 T C 2.033 176.916 174.700 0.305 0.000 1.040 486 T CA 1.156 63.409 62.100 0.255 0.000 1.141 486 T CB -0.212 68.763 68.868 0.178 0.000 0.868 486 T HN 0.268 nan 8.240 nan 0.000 0.444 487 R N -0.058 120.596 120.500 0.256 0.000 2.096 487 R HA -0.032 5.387 4.340 1.798 0.000 0.235 487 R C 2.178 178.656 176.300 0.297 0.000 1.127 487 R CA 1.240 57.449 56.100 0.182 0.000 0.968 487 R CB -0.457 29.852 30.300 0.016 0.000 0.861 487 R HN 0.366 nan 8.270 nan 0.000 0.440 488 F N 0.327 120.442 119.950 0.276 0.000 2.113 488 F HA -0.246 5.361 4.527 1.800 0.000 0.297 488 F C 2.131 178.078 175.800 0.244 0.000 1.103 488 F CA 1.269 59.422 58.000 0.254 0.000 1.248 488 F CB -0.572 38.586 39.000 0.263 0.000 0.999 488 F HN -0.051 nan 8.300 nan 0.000 0.475 489 Y N 1.521 121.881 120.300 0.099 0.000 2.145 489 Y HA -0.195 5.436 4.550 1.801 0.000 0.286 489 Y C 2.289 178.227 175.900 0.063 0.000 1.145 489 Y CA 2.357 60.456 58.100 -0.002 0.000 1.148 489 Y CB -0.707 37.830 38.460 0.128 0.000 0.981 489 Y HN 0.271 nan 8.280 nan 0.000 0.507 490 I N -2.389 118.296 120.570 0.192 0.000 2.439 490 I HA -0.130 5.119 4.170 1.798 0.000 0.251 490 I C 2.048 178.381 176.117 0.359 0.000 1.139 490 I CA 1.330 62.809 61.300 0.300 0.000 1.438 490 I CB -0.650 37.613 38.000 0.438 0.000 1.085 490 I HN 0.128 nan 8.210 nan 0.000 0.427 491 I N 2.374 123.012 120.570 0.114 0.000 2.286 491 I HA -0.158 5.091 4.170 1.798 0.000 0.248 491 I C 2.771 178.838 176.117 -0.083 0.000 1.115 491 I CA 1.583 62.853 61.300 -0.051 0.000 1.392 491 I CB -0.766 37.186 38.000 -0.080 0.000 1.065 491 I HN 0.389 nan 8.210 nan 0.000 0.418 492 G N 0.947 109.621 108.800 -0.210 0.000 2.418 492 G HA2 -0.206 4.833 3.960 1.798 0.000 0.217 492 G HA3 -0.206 4.833 3.960 1.798 0.000 0.217 492 G C 1.710 176.543 174.900 -0.112 0.000 1.158 492 G CA 0.464 45.404 45.100 -0.267 0.000 0.771 492 G HN 0.260 nan 8.290 nan 0.000 0.545 493 L N -0.924 120.247 121.223 -0.087 0.000 2.042 493 L HA -0.049 5.371 4.340 1.798 0.000 0.210 493 L C 2.559 179.562 176.870 0.223 0.000 1.076 493 L CA 1.133 56.054 54.840 0.135 0.000 0.749 493 L CB -0.392 41.787 42.059 0.201 0.000 0.893 493 L HN 0.255 nan 8.230 nan 0.000 0.432 494 F N 0.405 120.336 119.950 -0.032 0.000 2.069 494 F HA -0.306 5.289 4.527 1.781 0.000 0.298 494 F C 2.381 178.034 175.800 -0.245 0.000 1.113 494 F CA 1.750 59.524 58.000 -0.377 0.000 1.214 494 F CB -0.211 38.276 39.000 -0.855 0.000 0.978 494 F HN -0.081 nan 8.300 nan 0.000 0.474 495 L N -0.457 120.807 121.223 0.069 0.000 2.089 495 L HA -0.271 5.148 4.340 1.798 0.000 0.213 495 L C 2.183 179.066 176.870 0.022 0.000 1.079 495 L CA 2.012 56.867 54.840 0.026 0.000 0.758 495 L CB -0.934 41.125 42.059 -0.001 0.000 0.891 495 L HN 0.317 nan 8.230 nan 0.000 0.433 496 F N -0.645 119.246 119.950 -0.099 0.000 2.187 496 F HA -0.073 5.536 4.527 1.803 0.000 0.295 496 F C 1.880 177.636 175.800 -0.072 0.000 1.091 496 F CA 1.433 59.410 58.000 -0.039 0.000 1.308 496 F CB -0.327 38.643 39.000 -0.049 0.000 1.030 496 F HN -0.003 nan 8.300 nan 0.000 0.487 497 L N -0.353 120.564 121.223 -0.510 0.000 2.141 497 L HA -0.160 5.259 4.340 1.798 0.000 0.209 497 L C 2.255 178.751 176.870 -0.623 0.000 1.094 497 L CA 1.530 55.937 54.840 -0.723 0.000 0.763 497 L CB -1.050 40.645 42.059 -0.607 0.000 0.908 497 L HN 0.137 nan 8.230 nan 0.000 0.437 498 T N -0.293 113.942 114.554 -0.531 0.000 2.821 498 T HA -0.182 5.247 4.350 1.798 0.000 0.267 498 T C 1.588 176.218 174.700 -0.117 0.000 1.046 498 T CA 1.120 62.998 62.100 -0.370 0.000 1.139 498 T CB -0.264 68.426 68.868 -0.297 0.000 0.871 498 T HN 0.203 nan 8.240 nan 0.000 0.454 499 F N 1.942 121.751 119.950 -0.234 0.000 2.146 499 F HA 0.057 5.661 4.527 1.796 0.000 0.298 499 F C 1.846 177.615 175.800 -0.052 0.000 1.096 499 F CA 0.813 58.735 58.000 -0.129 0.000 1.275 499 F CB -0.662 38.274 39.000 -0.106 0.000 1.008 499 F HN 0.057 nan 8.300 nan 0.000 0.480 500 L N -0.754 120.244 121.223 -0.374 0.000 2.083 500 L HA -0.212 5.207 4.340 1.798 0.000 0.209 500 L C 2.377 179.191 176.870 -0.094 0.000 1.083 500 L CA 1.003 55.630 54.840 -0.354 0.000 0.752 500 L CB -0.890 40.934 42.059 -0.392 0.000 0.899 500 L HN 0.016 nan 8.230 nan 0.000 0.433 501 V N -0.290 119.567 119.914 -0.096 0.000 2.358 501 V HA -0.316 4.883 4.120 1.798 0.000 0.246 501 V C 2.233 178.316 176.094 -0.018 0.000 1.047 501 V CA 1.896 64.210 62.300 0.023 0.000 1.035 501 V CB -0.619 31.135 31.823 -0.114 0.000 0.658 501 V HN 0.387 nan 8.190 nan 0.000 0.452 502 F N 0.352 120.200 119.950 -0.170 0.000 2.202 502 F HA -0.189 5.414 4.527 1.792 0.000 0.301 502 F C 1.947 177.628 175.800 -0.197 0.000 1.082 502 F CA 1.664 59.576 58.000 -0.146 0.000 1.313 502 F CB -0.095 38.867 39.000 -0.063 0.000 1.024 502 F HN 0.057 nan 8.300 nan 0.000 0.495 503 L N -0.083 121.045 121.223 -0.158 0.000 2.240 503 L HA -0.023 5.396 4.340 1.798 0.000 0.211 503 L C 2.610 179.323 176.870 -0.261 0.000 1.106 503 L CA 0.761 55.445 54.840 -0.259 0.000 0.793 503 L CB -0.919 40.942 42.059 -0.329 0.000 0.927 503 L HN 0.218 nan 8.230 nan 0.000 0.446 504 A N -0.487 122.203 122.820 -0.218 0.000 2.239 504 A HA -0.104 5.295 4.320 1.798 0.000 0.209 504 A C 1.828 179.274 177.584 -0.229 0.000 1.171 504 A CA 0.710 52.613 52.037 -0.222 0.000 0.768 504 A CB -0.361 18.502 19.000 -0.228 0.000 0.790 504 A HN 0.399 nan 8.150 nan 0.000 0.478 505 E N -1.156 118.871 120.200 -0.288 0.000 2.494 505 E HA 0.125 5.554 4.350 1.798 0.000 0.193 505 E C 0.406 176.854 176.600 -0.253 0.000 1.074 505 E CA -0.012 56.209 56.400 -0.297 0.000 0.867 505 E CB 0.098 29.564 29.700 -0.391 0.000 0.924 505 E HN 0.475 nan 8.360 nan 0.000 0.502 506 R N 0.000 120.366 120.500 -0.224 0.000 2.786 506 R HA 0.000 5.419 4.340 1.798 0.000 0.208 506 R CA 0.000 56.001 56.100 -0.166 0.000 0.921 506 R CB 0.000 30.201 30.300 -0.164 0.000 0.687 506 R HN 0.000 nan 8.270 nan 0.000 0.535