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 2wvv_1_D DATA FIRST_RESID 35 DATA SEQUENCE EIPLKYGATN EGKRQDPAMQ KFRDNRLGAF IHWGLYAIPG GEWNGKVYGG DATA SEQUENCE AAEWLKSWAK VPADEWLKLM DQWNPTKFDA KKWAKMAKEM GTKYVKITTK DATA SEQUENCE HHEGFCLWPS KYTKYTVANT PYKRDILGEL VKAYNDEGID VHFYFSVMDW DATA SEQUENCE SNPDYRYDIK SKEDSIAFSR FLEFTDNQLK ELATRYPTVK DFWFDGTWDA DATA SEQUENCE SVKKNGWWTA HAEQMLKELV PGVAINSRLR ADDKGKRHFD SNGRLMGDYE DATA SEQUENCE SGYERRLPDP VKDLKVTQWD WEACMTIPEN QWGYHKDWSL SYVKTPIEVI DATA SEQUENCE DRIVHAVSMG GNMVVNFGPQ ADGDFRPEEK AMATAIGKWM NRYGKAVYAC DATA SEQUENCE DYAGFEKQDW GYYTRGKNDE VYMVVFNQPY SERLIVKTPK GITVEKATLL DATA SEQUENCE TTGEDITVVE TTRNEYNVSV PKKNPGEPYV IQLKVRA 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 35 E HA 0.000 nan 4.350 nan 0.000 0.291 35 E C 0.000 176.603 176.600 0.006 0.000 1.382 35 E CA 0.000 56.405 56.400 0.009 0.000 0.976 35 E CB 0.000 29.706 29.700 0.010 0.000 0.812 36 I N 1.874 122.447 120.570 0.006 0.000 2.331 36 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 36 I C -2.220 173.894 176.117 -0.004 0.000 0.998 36 I CA -2.188 59.114 61.300 0.004 0.000 1.267 36 I CB 1.099 39.104 38.000 0.010 0.000 1.386 36 I HN 0.278 nan 8.210 nan 0.000 0.476 37 P HA 0.297 nan 4.420 nan 0.000 0.271 37 P C -1.076 176.202 177.300 -0.037 0.000 1.226 37 P CA 0.011 63.095 63.100 -0.026 0.000 0.765 37 P CB 0.449 32.132 31.700 -0.028 0.000 0.835 38 L N 3.508 124.698 121.223 -0.054 0.000 2.386 38 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 38 L C 1.258 178.029 176.870 -0.165 0.000 0.993 38 L CA -0.643 54.150 54.840 -0.078 0.000 0.819 38 L CB 2.427 44.467 42.059 -0.032 0.000 1.294 38 L HN 0.261 nan 8.230 nan 0.000 0.414 39 K N 1.523 121.724 120.400 -0.331 0.000 2.262 39 K HA 0.056 4.376 4.320 -0.000 0.000 0.200 39 K C 0.022 176.248 176.600 -0.624 0.000 1.049 39 K CA 1.116 57.029 56.287 -0.624 0.000 0.979 39 K CB 0.325 32.154 32.500 -1.117 0.000 0.773 39 K HN 0.453 nan 8.250 nan 0.000 0.474 40 Y N -0.241 120.069 120.300 0.017 0.000 2.719 40 Y HA 0.302 4.852 4.550 -0.000 0.000 0.251 40 Y C 0.911 176.793 175.900 -0.031 0.000 1.159 40 Y CA -0.911 57.191 58.100 0.002 0.000 1.166 40 Y CB 0.370 38.851 38.460 0.036 0.000 1.219 40 Y HN -0.064 nan 8.280 nan 0.000 0.551 41 G N 0.547 109.373 108.800 0.043 0.000 2.531 41 G HA2 0.520 4.479 3.960 -0.000 0.000 0.253 41 G HA3 0.520 4.479 3.960 -0.000 0.000 0.253 41 G C -0.092 174.795 174.900 -0.022 0.000 1.439 41 G CA -0.315 44.791 45.100 0.009 0.000 1.056 41 G HN 0.343 nan 8.290 nan 0.000 0.555 42 A N -1.297 121.502 122.820 -0.034 0.000 2.498 42 A HA 0.455 4.775 4.320 -0.000 0.000 0.239 42 A C 1.415 178.975 177.584 -0.041 0.000 1.068 42 A CA 0.917 52.922 52.037 -0.053 0.000 0.766 42 A CB 0.178 19.149 19.000 -0.048 0.000 1.003 42 A HN 1.091 nan 8.150 nan 0.000 0.497 43 T N -0.448 114.076 114.554 -0.050 0.000 3.038 43 T HA 0.108 4.457 4.350 -0.000 0.000 0.244 43 T C 0.653 175.336 174.700 -0.028 0.000 1.016 43 T CA 0.014 62.090 62.100 -0.040 0.000 1.098 43 T CB -0.196 68.641 68.868 -0.052 0.000 0.954 43 T HN 0.502 nan 8.240 nan 0.000 0.469 44 N N 1.922 120.603 118.700 -0.031 0.000 2.530 44 N HA 0.349 5.089 4.740 -0.000 0.000 0.273 44 N C 0.495 176.013 175.510 0.012 0.000 1.173 44 N CA -0.017 53.028 53.050 -0.009 0.000 0.967 44 N CB 1.811 40.291 38.487 -0.011 0.000 1.109 44 N HN 0.300 nan 8.380 nan 0.000 0.453 45 E N 0.586 120.805 120.200 0.031 0.000 2.067 45 E HA 0.229 4.579 4.350 -0.000 0.000 0.194 45 E C 1.159 177.810 176.600 0.085 0.000 0.950 45 E CA 0.445 56.876 56.400 0.052 0.000 0.872 45 E CB -0.620 29.107 29.700 0.046 0.000 0.877 45 E HN 0.639 nan 8.360 nan 0.000 0.470 46 G N 0.208 109.061 108.800 0.088 0.000 2.641 46 G HA2 0.310 4.270 3.960 -0.000 0.000 0.239 46 G HA3 0.310 4.270 3.960 -0.000 0.000 0.239 46 G C -0.622 174.358 174.900 0.132 0.000 1.402 46 G CA -0.601 44.572 45.100 0.121 0.000 1.046 46 G HN -0.039 nan 8.290 nan 0.000 0.565 47 K N 0.277 120.767 120.400 0.150 0.000 2.382 47 K HA 0.170 4.490 4.320 -0.000 0.000 0.275 47 K C 0.315 176.974 176.600 0.098 0.000 1.009 47 K CA 0.095 56.471 56.287 0.148 0.000 0.970 47 K CB 0.837 33.433 32.500 0.160 0.000 0.934 47 K HN 0.250 nan 8.250 nan 0.000 0.479 48 R N 1.908 122.455 120.500 0.078 0.000 2.537 48 R HA -0.030 4.310 4.340 -0.000 0.000 0.280 48 R C 0.584 176.917 176.300 0.055 0.000 1.058 48 R CA 0.238 56.367 56.100 0.048 0.000 1.057 48 R CB 0.529 30.841 30.300 0.019 0.000 0.973 48 R HN 0.523 nan 8.270 nan 0.000 0.438 49 Q N 1.548 121.377 119.800 0.047 0.000 2.149 49 Q HA 0.019 4.359 4.340 -0.000 0.000 0.221 49 Q C -0.485 175.538 176.000 0.038 0.000 0.807 49 Q CA 0.052 55.885 55.803 0.049 0.000 1.000 49 Q CB 0.633 29.403 28.738 0.054 0.000 1.157 49 Q HN 0.740 nan 8.270 nan 0.000 0.487 50 D N 0.499 120.916 120.400 0.028 0.000 2.390 50 D HA -0.019 4.621 4.640 -0.000 0.000 0.236 50 D C -1.826 174.489 176.300 0.026 0.000 1.189 50 D CA -1.166 52.847 54.000 0.022 0.000 0.887 50 D CB 1.364 42.171 40.800 0.012 0.000 1.198 50 D HN -0.180 nan 8.370 nan 0.000 0.444 51 P HA -0.159 nan 4.420 nan 0.000 0.216 51 P C 1.335 178.654 177.300 0.030 0.000 1.150 51 P CA 2.167 65.282 63.100 0.027 0.000 0.837 51 P CB -0.021 31.691 31.700 0.020 0.000 0.786 52 A N -1.112 121.722 122.820 0.023 0.000 1.877 52 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 52 A C 2.245 179.859 177.584 0.049 0.000 1.186 52 A CA 2.120 54.173 52.037 0.027 0.000 0.620 52 A CB -1.409 17.597 19.000 0.009 0.000 0.822 52 A HN 0.110 nan 8.150 nan 0.000 0.443 53 M N -0.219 119.401 119.600 0.033 0.000 2.175 53 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 53 M C 2.150 178.513 176.300 0.104 0.000 1.063 53 M CA 1.608 56.931 55.300 0.039 0.000 1.119 53 M CB -0.514 32.086 32.600 0.000 0.000 1.377 53 M HN 0.518 nan 8.290 nan 0.000 0.415 54 Q N -0.553 119.293 119.800 0.078 0.000 2.096 54 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 54 Q C 2.079 178.125 176.000 0.077 0.000 0.982 54 Q CA 1.840 57.690 55.803 0.078 0.000 0.850 54 Q CB -0.352 28.421 28.738 0.058 0.000 0.901 54 Q HN 0.373 nan 8.270 nan 0.000 0.422 55 K N 0.844 121.284 120.400 0.067 0.000 2.057 55 K HA -0.151 4.168 4.320 -0.000 0.000 0.206 55 K C 1.631 178.246 176.600 0.025 0.000 1.050 55 K CA 1.059 57.370 56.287 0.040 0.000 0.935 55 K CB -0.536 31.982 32.500 0.030 0.000 0.715 55 K HN 0.157 nan 8.250 nan 0.000 0.439 56 F N 1.285 121.173 119.950 -0.103 0.000 2.091 56 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 56 F C 2.398 178.080 175.800 -0.196 0.000 1.103 56 F CA 2.093 59.978 58.000 -0.193 0.000 1.228 56 F CB -0.229 38.659 39.000 -0.187 0.000 0.984 56 F HN 0.028 nan 8.300 nan 0.000 0.477 57 R N 0.397 121.019 120.500 0.203 0.000 2.070 57 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 57 R C 1.957 178.261 176.300 0.007 0.000 1.138 57 R CA 2.162 58.328 56.100 0.111 0.000 0.936 57 R CB -0.647 29.742 30.300 0.148 0.000 0.839 57 R HN 0.258 nan 8.270 nan 0.000 0.429 58 D N 0.454 120.872 120.400 0.030 0.000 2.182 58 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 58 D C 1.544 177.877 176.300 0.055 0.000 0.986 58 D CA 0.847 54.874 54.000 0.046 0.000 0.847 58 D CB -0.488 40.342 40.800 0.050 0.000 0.942 58 D HN 0.260 nan 8.370 nan 0.000 0.467 59 N N 0.689 119.382 118.700 -0.011 0.000 2.060 59 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 59 N C 1.190 176.799 175.510 0.164 0.000 1.028 59 N CA 1.000 54.072 53.050 0.037 0.000 0.861 59 N CB 0.031 38.445 38.487 -0.121 0.000 1.029 59 N HN 0.077 nan 8.380 nan 0.000 0.428 60 R N -1.621 118.914 120.500 0.059 0.000 1.732 60 R HA -0.231 4.108 4.340 -0.000 0.000 0.091 60 R C 0.265 176.620 176.300 0.092 0.000 0.933 60 R CA 1.324 57.453 56.100 0.047 0.000 1.938 60 R CB -1.771 28.543 30.300 0.023 0.000 0.530 60 R HN 0.396 nan 8.270 nan 0.000 0.704 61 L N 1.264 122.566 121.223 0.131 0.000 2.280 61 L HA 0.687 5.027 4.340 -0.000 0.000 0.287 61 L C 0.374 177.110 176.870 -0.223 0.000 1.023 61 L CA 0.330 55.166 54.840 -0.007 0.000 0.819 61 L CB 1.541 43.604 42.059 0.006 0.000 1.212 61 L HN 0.364 nan 8.230 nan 0.000 0.420 62 G N 3.201 111.644 108.800 -0.596 0.000 2.644 62 G HA2 0.825 4.784 3.960 -0.000 0.000 0.307 62 G HA3 0.825 4.784 3.960 -0.000 0.000 0.307 62 G C -1.604 172.990 174.900 -0.510 0.000 1.250 62 G CA -0.368 44.041 45.100 -1.153 0.000 0.996 62 G HN 0.931 nan 8.290 nan 0.000 0.489 63 A N -0.506 122.046 122.820 -0.446 0.000 2.355 63 A HA 0.785 5.105 4.320 -0.000 0.000 0.324 63 A C -1.563 175.986 177.584 -0.058 0.000 1.117 63 A CA -0.655 51.336 52.037 -0.078 0.000 0.785 63 A CB 1.233 20.238 19.000 0.008 0.000 1.254 63 A HN 0.600 nan 8.150 nan 0.000 0.453 64 F N 2.045 122.073 119.950 0.129 0.000 2.436 64 F HA 0.548 5.075 4.527 -0.000 0.000 0.340 64 F C -0.346 175.664 175.800 0.349 0.000 1.113 64 F CA -0.775 57.343 58.000 0.195 0.000 1.022 64 F CB 1.300 40.473 39.000 0.288 0.000 1.128 64 F HN 0.297 nan 8.300 nan 0.000 0.466 65 I N 5.397 126.344 120.570 0.628 0.000 2.362 65 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 65 I C -0.429 176.036 176.117 0.580 0.000 0.994 65 I CA -0.480 61.178 61.300 0.597 0.000 1.158 65 I CB 1.150 39.470 38.000 0.533 0.000 1.315 65 I HN 0.524 nan 8.210 nan 0.000 0.451 66 H N 5.687 125.071 119.070 0.524 0.000 2.623 66 H HA 0.179 4.735 4.556 -0.000 0.000 0.299 66 H C -1.343 174.410 175.328 0.708 0.000 1.052 66 H CA -0.300 56.048 56.048 0.500 0.000 1.231 66 H CB 1.481 31.457 29.762 0.356 0.000 1.389 66 H HN 0.528 nan 8.280 nan 0.000 0.469 67 W N 3.267 124.855 121.300 0.479 0.000 2.830 67 W HA 0.488 5.148 4.660 -0.000 0.000 0.335 67 W C -0.775 175.812 176.519 0.113 0.000 1.043 67 W CA -0.698 56.874 57.345 0.378 0.000 1.239 67 W CB 1.669 31.399 29.460 0.451 0.000 1.378 67 W HN 0.725 nan 8.180 nan 0.000 0.456 68 G N 2.825 111.371 108.800 -0.424 0.000 2.619 68 G HA2 0.242 4.201 3.960 -0.000 0.000 0.305 68 G HA3 0.242 4.201 3.960 -0.000 0.000 0.305 68 G C -0.124 174.250 174.900 -0.877 0.000 1.330 68 G CA -0.767 43.859 45.100 -0.791 0.000 0.789 68 G HN 0.401 nan 8.290 nan 0.000 0.487 69 L N -0.007 120.766 121.223 -0.750 0.000 2.187 69 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 69 L C 2.711 179.422 176.870 -0.265 0.000 1.100 69 L CA 1.549 56.038 54.840 -0.585 0.000 0.765 69 L CB -0.668 40.957 42.059 -0.723 0.000 0.904 69 L HN 0.706 nan 8.230 nan 0.000 0.437 70 Y N -0.953 119.511 120.300 0.274 0.000 2.384 70 Y HA -0.083 4.467 4.550 -0.000 0.000 0.289 70 Y C 2.483 178.602 175.900 0.364 0.000 1.152 70 Y CA 0.476 58.850 58.100 0.457 0.000 1.258 70 Y CB -1.313 37.448 38.460 0.503 0.000 0.979 70 Y HN 0.050 nan 8.280 nan 0.000 0.549 71 A N 1.113 124.113 122.820 0.299 0.000 2.070 71 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 71 A C 2.166 179.891 177.584 0.235 0.000 1.159 71 A CA 1.731 54.007 52.037 0.398 0.000 0.656 71 A CB -1.058 18.184 19.000 0.402 0.000 0.800 71 A HN 0.599 nan 8.150 nan 0.000 0.453 72 I N 0.320 120.968 120.570 0.129 0.000 2.141 72 I HA -0.116 4.053 4.170 -0.000 0.000 0.236 72 I C -0.137 176.051 176.117 0.119 0.000 1.071 72 I CA 1.277 62.606 61.300 0.049 0.000 1.345 72 I CB -1.066 36.909 38.000 -0.041 0.000 1.066 72 I HN 0.240 nan 8.210 nan 0.000 0.406 73 P HA -0.051 nan 4.420 nan 0.000 0.221 73 P C 1.008 178.489 177.300 0.301 0.000 1.150 73 P CA 1.411 64.676 63.100 0.276 0.000 0.800 73 P CB -0.126 31.877 31.700 0.505 0.000 0.787 74 G N 0.042 109.064 108.800 0.369 0.000 2.366 74 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.299 74 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.299 74 G C 0.917 175.831 174.900 0.022 0.000 1.020 74 G CA 0.542 45.861 45.100 0.365 0.000 1.026 74 G HN 0.686 nan 8.290 nan 0.000 0.512 75 G N -1.331 107.535 108.800 0.110 0.000 2.195 75 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 75 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 75 G C 0.150 175.199 174.900 0.249 0.000 0.984 75 G CA 1.112 46.195 45.100 -0.029 0.000 0.633 75 G HN 1.407 nan 8.290 nan 0.000 0.525 76 E N -0.310 120.069 120.200 0.298 0.000 2.166 76 E HA 0.544 4.894 4.350 -0.000 0.000 0.275 76 E C -0.950 175.971 176.600 0.535 0.000 0.941 76 E CA -1.234 55.396 56.400 0.383 0.000 0.784 76 E CB 0.908 30.743 29.700 0.225 0.000 1.115 76 E HN 0.271 nan 8.360 nan 0.000 0.399 77 W N 4.974 126.481 121.300 0.346 0.000 2.957 77 W HA 0.239 4.899 4.660 -0.000 0.000 0.336 77 W C -0.693 175.983 176.519 0.261 0.000 1.087 77 W CA -0.588 56.926 57.345 0.282 0.000 1.235 77 W CB 1.105 30.722 29.460 0.261 0.000 1.399 77 W HN 0.807 nan 8.180 nan 0.000 0.480 78 N N 3.263 121.832 118.700 -0.217 0.000 2.714 78 N HA -0.236 4.503 4.740 -0.000 0.000 0.252 78 N C 0.805 176.337 175.510 0.036 0.000 1.014 78 N CA 1.133 54.121 53.050 -0.104 0.000 0.735 78 N CB -1.021 37.474 38.487 0.013 0.000 0.924 78 N HN 0.892 nan 8.380 nan 0.000 0.540 79 G N -0.492 108.328 108.800 0.033 0.000 2.179 79 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 79 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 79 G C -0.021 174.927 174.900 0.080 0.000 0.977 79 G CA 0.752 45.881 45.100 0.048 0.000 0.641 79 G HN 0.563 nan 8.290 nan 0.000 0.533 80 K N 0.611 121.097 120.400 0.143 0.000 2.358 80 K HA 0.602 4.922 4.320 -0.000 0.000 0.260 80 K C -0.066 176.625 176.600 0.153 0.000 0.956 80 K CA -0.735 55.603 56.287 0.084 0.000 0.834 80 K CB 1.694 34.204 32.500 0.017 0.000 1.102 80 K HN -0.003 nan 8.250 nan 0.000 0.431 81 V N 5.610 125.573 119.914 0.081 0.000 2.432 81 V HA 0.170 4.289 4.120 -0.000 0.000 0.271 81 V C -0.631 175.525 176.094 0.103 0.000 1.046 81 V CA -0.344 62.062 62.300 0.177 0.000 0.945 81 V CB 0.086 32.010 31.823 0.168 0.000 0.992 81 V HN 0.620 nan 8.190 nan 0.000 0.471 82 Y N 2.568 123.007 120.300 0.231 0.000 2.323 82 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 82 Y C 1.471 177.485 175.900 0.189 0.000 1.092 82 Y CA 0.049 58.258 58.100 0.181 0.000 1.150 82 Y CB 1.653 40.256 38.460 0.239 0.000 1.200 82 Y HN 0.679 nan 8.280 nan 0.000 0.472 83 G N 2.005 110.868 108.800 0.105 0.000 2.511 83 G HA2 0.021 3.980 3.960 -0.000 0.000 0.217 83 G HA3 0.021 3.980 3.960 -0.000 0.000 0.217 83 G C 0.881 175.718 174.900 -0.105 0.000 1.133 83 G CA 0.431 45.521 45.100 -0.017 0.000 0.792 83 G HN 0.870 nan 8.290 nan 0.000 0.539 84 G N -0.125 108.498 108.800 -0.296 0.000 2.684 84 G HA2 0.468 4.428 3.960 -0.000 0.000 0.255 84 G HA3 0.468 4.428 3.960 -0.000 0.000 0.255 84 G C 0.404 175.438 174.900 0.223 0.000 1.219 84 G CA 0.125 44.943 45.100 -0.470 0.000 0.901 84 G HN 0.586 nan 8.290 nan 0.000 0.548 85 A N -0.365 122.755 122.820 0.499 0.000 2.520 85 A HA 0.486 4.806 4.320 -0.000 0.000 0.245 85 A C 1.775 179.807 177.584 0.746 0.000 1.072 85 A CA 0.699 53.088 52.037 0.587 0.000 0.761 85 A CB 0.134 19.485 19.000 0.584 0.000 1.004 85 A HN 1.695 nan 8.150 nan 0.000 0.499 86 A N 2.202 125.371 122.820 0.581 0.000 1.940 86 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 86 A C 1.873 179.664 177.584 0.346 0.000 1.176 86 A CA 1.739 54.083 52.037 0.512 0.000 0.631 86 A CB -0.363 18.919 19.000 0.471 0.000 0.814 86 A HN 0.953 nan 8.150 nan 0.000 0.446 87 E N -1.540 118.701 120.200 0.069 0.000 2.472 87 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 87 E C 0.768 177.288 176.600 -0.133 0.000 1.046 87 E CA 0.629 56.728 56.400 -0.500 0.000 0.871 87 E CB -0.398 28.543 29.700 -1.267 0.000 0.806 87 E HN 0.821 nan 8.360 nan 0.000 0.533 88 W N 0.561 121.848 121.300 -0.022 0.000 3.123 88 W HA 0.275 4.935 4.660 -0.000 0.000 0.383 88 W C 1.468 177.540 176.519 -0.745 0.000 1.102 88 W CA -0.616 56.572 57.345 -0.261 0.000 1.865 88 W CB 0.185 29.390 29.460 -0.423 0.000 1.111 88 W HN 0.064 nan 8.180 nan 0.000 0.621 89 L N 1.578 122.709 121.223 -0.153 0.000 2.079 89 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 89 L C 2.492 178.966 176.870 -0.660 0.000 1.081 89 L CA 1.974 56.712 54.840 -0.170 0.000 0.752 89 L CB -0.624 41.554 42.059 0.200 0.000 0.896 89 L HN -0.011 nan 8.230 nan 0.000 0.433 90 K N -1.295 118.407 120.400 -1.164 0.000 2.074 90 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 90 K C 2.315 178.340 176.600 -0.957 0.000 1.048 90 K CA 1.789 57.285 56.287 -1.319 0.000 0.926 90 K CB -0.284 31.226 32.500 -1.651 0.000 0.713 90 K HN 0.443 nan 8.250 nan 0.000 0.444 91 S N -0.256 114.855 115.700 -0.982 0.000 2.345 91 S HA -0.110 4.360 4.470 -0.000 0.000 0.219 91 S C 1.676 176.014 174.600 -0.436 0.000 1.031 91 S CA 1.171 58.902 58.200 -0.782 0.000 0.984 91 S CB -0.379 62.407 63.200 -0.690 0.000 0.874 91 S HN 0.540 nan 8.310 nan 0.000 0.451 92 W N 1.461 122.642 121.300 -0.200 0.000 2.335 92 W HA 0.017 4.677 4.660 -0.000 0.000 0.311 92 W C 2.590 178.902 176.519 -0.346 0.000 1.213 92 W CA 0.418 57.646 57.345 -0.196 0.000 1.274 92 W CB -0.512 28.842 29.460 -0.176 0.000 1.148 92 W HN 0.336 nan 8.180 nan 0.000 0.498 93 A N 0.097 122.651 122.820 -0.443 0.000 2.238 93 A HA 0.062 4.381 4.320 -0.000 0.000 0.208 93 A C 0.907 178.384 177.584 -0.179 0.000 1.177 93 A CA 0.340 52.150 52.037 -0.378 0.000 0.804 93 A CB -0.433 18.262 19.000 -0.507 0.000 0.823 93 A HN 0.157 nan 8.150 nan 0.000 0.482 94 K N -0.729 119.533 120.400 -0.230 0.000 3.148 94 K HA -0.126 4.193 4.320 -0.000 0.000 0.267 94 K C -0.459 176.019 176.600 -0.202 0.000 0.996 94 K CA 0.723 56.894 56.287 -0.194 0.000 0.737 94 K CB -2.639 29.822 32.500 -0.065 0.000 1.308 94 K HN 0.299 nan 8.250 nan 0.000 0.470 95 V N 1.451 121.156 119.914 -0.348 0.000 2.432 95 V HA 0.159 4.279 4.120 -0.000 0.000 0.271 95 V C -1.571 174.408 176.094 -0.192 0.000 1.046 95 V CA -1.476 60.661 62.300 -0.272 0.000 0.945 95 V CB 0.980 32.504 31.823 -0.497 0.000 0.992 95 V HN 0.123 nan 8.190 nan 0.000 0.471 96 P HA 0.142 nan 4.420 nan 0.000 0.269 96 P C 0.752 178.045 177.300 -0.012 0.000 1.215 96 P CA -0.002 63.069 63.100 -0.048 0.000 0.780 96 P CB 0.748 32.454 31.700 0.010 0.000 0.898 97 A N 2.635 125.438 122.820 -0.028 0.000 1.892 97 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 97 A C 1.550 179.154 177.584 0.034 0.000 1.188 97 A CA 2.485 54.521 52.037 -0.002 0.000 0.631 97 A CB -1.608 17.375 19.000 -0.028 0.000 0.822 97 A HN 0.594 nan 8.150 nan 0.000 0.447 98 D N -0.700 119.728 120.400 0.047 0.000 2.097 98 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 98 D C 1.899 178.257 176.300 0.096 0.000 0.989 98 D CA 1.461 55.504 54.000 0.073 0.000 0.827 98 D CB -0.340 40.508 40.800 0.080 0.000 0.966 98 D HN 0.729 nan 8.370 nan 0.000 0.456 99 E N -0.334 119.940 120.200 0.123 0.000 2.051 99 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 99 E C 1.801 178.532 176.600 0.218 0.000 0.991 99 E CA 0.768 57.279 56.400 0.185 0.000 0.799 99 E CB -0.136 29.710 29.700 0.244 0.000 0.748 99 E HN 0.457 nan 8.360 nan 0.000 0.449 100 W N 1.162 122.448 121.300 -0.023 0.000 2.354 100 W HA -0.200 4.459 4.660 -0.000 0.000 0.315 100 W C 1.682 178.168 176.519 -0.056 0.000 1.206 100 W CA 1.084 58.376 57.345 -0.089 0.000 1.290 100 W CB -0.270 29.072 29.460 -0.197 0.000 1.152 100 W HN 0.114 nan 8.180 nan 0.000 0.489 101 L N 1.002 122.229 121.223 0.008 0.000 2.362 101 L HA -0.183 4.157 4.340 -0.000 0.000 0.219 101 L C 2.329 179.138 176.870 -0.103 0.000 1.134 101 L CA 1.085 55.852 54.840 -0.121 0.000 0.807 101 L CB -0.709 41.229 42.059 -0.203 0.000 0.927 101 L HN -0.121 nan 8.230 nan 0.000 0.447 102 K N 0.232 120.606 120.400 -0.044 0.000 2.360 102 K HA -0.141 4.179 4.320 -0.000 0.000 0.201 102 K C 1.948 178.484 176.600 -0.107 0.000 1.046 102 K CA 0.908 57.177 56.287 -0.031 0.000 0.940 102 K CB -0.189 32.323 32.500 0.020 0.000 0.748 102 K HN 0.323 nan 8.250 nan 0.000 0.465 103 L N 0.439 121.525 121.223 -0.228 0.000 2.261 103 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 103 L C 2.244 178.949 176.870 -0.274 0.000 1.114 103 L CA 0.968 55.631 54.840 -0.295 0.000 0.777 103 L CB -0.400 41.331 42.059 -0.545 0.000 0.910 103 L HN 0.294 nan 8.230 nan 0.000 0.440 104 M N -0.498 118.915 119.600 -0.312 0.000 2.195 104 M HA -0.266 4.214 4.480 -0.000 0.000 0.260 104 M C 1.468 177.730 176.300 -0.064 0.000 1.066 104 M CA 1.576 56.719 55.300 -0.262 0.000 1.089 104 M CB -0.477 32.021 32.600 -0.169 0.000 1.377 104 M HN 0.211 nan 8.290 nan 0.000 0.411 105 D N -0.046 120.324 120.400 -0.050 0.000 2.264 105 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 105 D C 1.608 177.903 176.300 -0.009 0.000 0.966 105 D CA 1.070 55.064 54.000 -0.011 0.000 0.864 105 D CB -0.154 40.637 40.800 -0.016 0.000 0.933 105 D HN 0.527 nan 8.370 nan 0.000 0.499 106 Q N -1.055 118.726 119.800 -0.031 0.000 2.319 106 Q HA 0.020 4.360 4.340 -0.000 0.000 0.202 106 Q C 0.386 176.365 176.000 -0.035 0.000 0.896 106 Q CA -0.336 55.441 55.803 -0.042 0.000 0.942 106 Q CB 0.521 29.216 28.738 -0.070 0.000 1.083 106 Q HN 0.336 nan 8.270 nan 0.000 0.510 107 W N 2.583 123.754 121.300 -0.214 0.000 2.581 107 W HA 0.163 4.823 4.660 -0.001 0.000 0.359 107 W C -0.651 175.779 176.519 -0.149 0.000 1.167 107 W CA 0.267 57.456 57.345 -0.260 0.000 1.517 107 W CB 0.036 29.282 29.460 -0.357 0.000 1.519 107 W HN 0.017 nan 8.180 nan 0.000 0.431 108 N N 7.309 125.736 118.700 -0.456 0.000 2.722 108 N HA 0.206 4.946 4.740 -0.000 0.000 0.242 108 N C -2.768 172.466 175.510 -0.461 0.000 1.398 108 N CA -1.420 51.454 53.050 -0.292 0.000 0.755 108 N CB 1.100 39.557 38.487 -0.050 0.000 1.268 108 N HN 0.026 nan 8.380 nan 0.000 0.522 109 P HA 0.139 nan 4.420 nan 0.000 0.252 109 P C 0.578 177.759 177.300 -0.198 0.000 1.727 109 P CA -0.090 62.648 63.100 -0.604 0.000 1.134 109 P CB 0.425 31.676 31.700 -0.748 0.000 1.876 110 T N 2.024 116.554 114.554 -0.040 0.000 2.665 110 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 110 T C 1.522 176.290 174.700 0.113 0.000 1.035 110 T CA 1.440 63.592 62.100 0.086 0.000 1.151 110 T CB -0.115 68.772 68.868 0.032 0.000 0.862 110 T HN 0.384 nan 8.240 nan 0.000 0.438 111 K N 0.472 120.919 120.400 0.077 0.000 2.525 111 K HA 0.110 4.429 4.320 -0.000 0.000 0.192 111 K C 0.474 177.151 176.600 0.128 0.000 1.029 111 K CA -0.201 56.137 56.287 0.085 0.000 1.029 111 K CB -0.307 32.226 32.500 0.056 0.000 0.814 111 K HN 0.361 nan 8.250 nan 0.000 0.503 112 F N 3.088 123.038 119.950 -0.001 0.000 2.578 112 F HA -0.045 4.482 4.527 -0.000 0.000 0.381 112 F C -0.058 175.692 175.800 -0.085 0.000 1.069 112 F CA -0.078 57.873 58.000 -0.081 0.000 1.231 112 F CB 0.385 39.317 39.000 -0.113 0.000 1.086 112 F HN -0.082 nan 8.300 nan 0.000 0.564 113 D N 4.968 124.793 120.400 -0.957 0.000 2.478 113 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 113 D C 0.269 175.950 176.300 -1.032 0.000 1.364 113 D CA -0.007 53.549 54.000 -0.741 0.000 0.987 113 D CB 1.515 42.160 40.800 -0.259 0.000 1.328 113 D HN 0.626 nan 8.370 nan 0.000 0.584 114 A N 4.200 126.320 122.820 -1.166 0.000 1.972 114 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 114 A C 1.907 179.236 177.584 -0.424 0.000 1.169 114 A CA 1.215 52.728 52.037 -0.872 0.000 0.635 114 A CB -0.135 18.565 19.000 -0.501 0.000 0.810 114 A HN 0.570 nan 8.150 nan 0.000 0.446 115 K N -0.195 120.029 120.400 -0.294 0.000 2.026 115 K HA -0.125 4.194 4.320 -0.000 0.000 0.208 115 K C 2.100 178.644 176.600 -0.094 0.000 1.048 115 K CA 1.526 57.717 56.287 -0.161 0.000 0.929 115 K CB -0.154 32.278 32.500 -0.114 0.000 0.713 115 K HN 0.339 nan 8.250 nan 0.000 0.439 116 K N -0.320 120.041 120.400 -0.066 0.000 2.097 116 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 116 K C 1.932 178.610 176.600 0.131 0.000 1.049 116 K CA 1.400 57.707 56.287 0.034 0.000 0.933 116 K CB -0.084 32.462 32.500 0.076 0.000 0.717 116 K HN 0.218 nan 8.250 nan 0.000 0.442 117 W N 0.545 121.739 121.300 -0.176 0.000 2.358 117 W HA -0.076 4.584 4.660 -0.000 0.000 0.303 117 W C 2.367 178.808 176.519 -0.130 0.000 1.208 117 W CA 1.032 58.315 57.345 -0.104 0.000 1.274 117 W CB -0.900 28.505 29.460 -0.091 0.000 1.138 117 W HN 0.112 nan 8.180 nan 0.000 0.515 118 A N -0.084 122.719 122.820 -0.028 0.000 1.930 118 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 118 A C 1.990 179.609 177.584 0.058 0.000 1.175 118 A CA 2.030 54.066 52.037 -0.002 0.000 0.627 118 A CB -0.648 18.269 19.000 -0.138 0.000 0.815 118 A HN 0.136 nan 8.150 nan 0.000 0.443 119 K N -0.197 120.204 120.400 0.001 0.000 2.026 119 K HA -0.104 4.215 4.320 -0.000 0.000 0.208 119 K C 2.052 178.624 176.600 -0.046 0.000 1.048 119 K CA 1.977 58.254 56.287 -0.017 0.000 0.929 119 K CB -0.449 32.036 32.500 -0.025 0.000 0.713 119 K HN 0.484 nan 8.250 nan 0.000 0.439 120 M N -0.387 119.158 119.600 -0.092 0.000 2.106 120 M HA -0.220 4.259 4.480 -0.000 0.000 0.259 120 M C 1.906 178.085 176.300 -0.203 0.000 1.068 120 M CA 2.178 57.355 55.300 -0.205 0.000 1.100 120 M CB -0.226 32.131 32.600 -0.406 0.000 1.351 120 M HN 0.237 nan 8.290 nan 0.000 0.404 121 A N 0.190 122.934 122.820 -0.127 0.000 1.898 121 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 121 A C 2.172 179.733 177.584 -0.040 0.000 1.181 121 A CA 1.907 53.893 52.037 -0.086 0.000 0.620 121 A CB -0.712 18.318 19.000 0.050 0.000 0.819 121 A HN 0.581 nan 8.150 nan 0.000 0.442 122 K N -0.444 119.954 120.400 -0.004 0.000 2.057 122 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 122 K C 1.913 178.503 176.600 -0.017 0.000 1.049 122 K CA 1.699 57.982 56.287 -0.007 0.000 0.931 122 K CB -0.137 32.363 32.500 0.000 0.000 0.714 122 K HN 0.605 nan 8.250 nan 0.000 0.440 123 E N 0.195 120.377 120.200 -0.030 0.000 2.204 123 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 123 E C 1.774 178.371 176.600 -0.005 0.000 0.989 123 E CA 0.921 57.307 56.400 -0.023 0.000 0.824 123 E CB 0.037 29.715 29.700 -0.037 0.000 0.756 123 E HN 0.290 nan 8.360 nan 0.000 0.477 124 M N -0.973 118.614 119.600 -0.020 0.000 2.476 124 M HA 0.009 4.488 4.480 -0.000 0.000 0.262 124 M C 0.960 177.304 176.300 0.073 0.000 1.079 124 M CA 1.420 56.729 55.300 0.016 0.000 1.104 124 M CB 0.409 32.998 32.600 -0.019 0.000 1.409 124 M HN 0.228 nan 8.290 nan 0.000 0.467 125 G N 1.070 109.913 108.800 0.071 0.000 2.141 125 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 125 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 125 G C 0.161 175.158 174.900 0.162 0.000 0.982 125 G CA 0.454 45.646 45.100 0.154 0.000 0.662 125 G HN 0.663 nan 8.290 nan 0.000 0.527 126 T N -1.413 113.169 114.554 0.046 0.000 2.901 126 T HA 0.589 4.939 4.350 -0.000 0.000 0.301 126 T C 1.043 175.726 174.700 -0.030 0.000 1.012 126 T CA 0.118 62.207 62.100 -0.018 0.000 1.135 126 T CB 1.809 70.599 68.868 -0.129 0.000 0.936 126 T HN 0.056 nan 8.240 nan 0.000 0.539 127 K N 1.474 121.874 120.400 0.001 0.000 2.353 127 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 127 K C -0.220 176.417 176.600 0.062 0.000 1.031 127 K CA 0.175 56.476 56.287 0.024 0.000 1.079 127 K CB 0.118 32.659 32.500 0.068 0.000 0.857 127 K HN 0.930 nan 8.250 nan 0.000 0.535 128 Y N -3.533 116.614 120.300 -0.255 0.000 2.624 128 Y HA 0.572 5.122 4.550 -0.000 0.000 0.334 128 Y C -1.184 174.444 175.900 -0.453 0.000 1.155 128 Y CA -1.470 56.386 58.100 -0.406 0.000 1.046 128 Y CB 1.116 39.205 38.460 -0.618 0.000 1.316 128 Y HN -0.332 nan 8.280 nan 0.000 0.457 129 V N 2.673 122.296 119.914 -0.485 0.000 2.709 129 V HA 0.448 4.568 4.120 -0.000 0.000 0.308 129 V C -0.912 174.947 176.094 -0.392 0.000 1.062 129 V CA -1.231 60.739 62.300 -0.551 0.000 0.901 129 V CB 2.028 33.342 31.823 -0.849 0.000 1.003 129 V HN 0.739 nan 8.190 nan 0.000 0.425 130 K N 5.353 125.497 120.400 -0.427 0.000 2.235 130 K HA 0.712 5.032 4.320 -0.000 0.000 0.266 130 K C -1.196 175.287 176.600 -0.195 0.000 0.980 130 K CA -0.430 55.608 56.287 -0.415 0.000 0.849 130 K CB 2.103 33.936 32.500 -1.112 0.000 1.098 130 K HN 0.497 nan 8.250 nan 0.000 0.445 131 I N 1.752 122.381 120.570 0.098 0.000 2.474 131 I HA 0.112 4.281 4.170 -0.000 0.000 0.294 131 I C 0.456 176.746 176.117 0.290 0.000 1.005 131 I CA -0.972 60.481 61.300 0.256 0.000 1.113 131 I CB 2.094 40.282 38.000 0.314 0.000 1.289 131 I HN 0.579 nan 8.210 nan 0.000 0.436 132 T N 0.189 114.885 114.554 0.237 0.000 2.775 132 T HA 0.054 4.404 4.350 -0.000 0.000 0.281 132 T C 1.229 176.057 174.700 0.213 0.000 0.908 132 T CA -0.266 61.929 62.100 0.159 0.000 1.123 132 T CB 0.256 69.069 68.868 -0.092 0.000 0.879 132 T HN 0.861 nan 8.240 nan 0.000 0.547 133 T N 0.218 114.901 114.554 0.216 0.000 2.896 133 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 133 T C 0.562 175.435 174.700 0.289 0.000 1.050 133 T CA 0.385 62.554 62.100 0.116 0.000 1.140 133 T CB -0.071 68.685 68.868 -0.187 0.000 0.877 133 T HN 0.708 nan 8.240 nan 0.000 0.457 134 K N 0.073 120.610 120.400 0.229 0.000 2.587 134 K HA 0.314 4.634 4.320 -0.000 0.000 0.256 134 K C -1.611 175.050 176.600 0.102 0.000 0.974 134 K CA -0.633 55.713 56.287 0.097 0.000 0.855 134 K CB 1.511 34.010 32.500 -0.000 0.000 1.292 134 K HN 0.327 nan 8.250 nan 0.000 0.444 135 H N 0.901 119.996 119.070 0.043 0.000 2.523 135 H HA 0.285 4.841 4.556 -0.000 0.000 0.317 135 H C 1.028 176.204 175.328 -0.253 0.000 1.511 135 H CA 0.528 56.550 56.048 -0.043 0.000 1.499 135 H CB 0.772 30.538 29.762 0.006 0.000 1.742 135 H HN 0.720 nan 8.280 nan 0.000 0.750 136 H N -0.760 117.992 119.070 -0.530 0.000 2.426 136 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 136 H C 1.777 176.545 175.328 -0.932 0.000 1.107 136 H CA 1.303 56.662 56.048 -1.148 0.000 1.298 136 H CB 0.196 28.651 29.762 -2.177 0.000 1.377 136 H HN 0.705 nan 8.280 nan 0.000 0.519 137 E N 0.430 120.481 120.200 -0.248 0.000 2.209 137 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 137 E C 1.754 178.420 176.600 0.111 0.000 0.993 137 E CA 0.792 57.267 56.400 0.125 0.000 0.819 137 E CB -0.065 29.888 29.700 0.423 0.000 0.745 137 E HN 0.535 nan 8.360 nan 0.000 0.477 138 G N 0.838 109.663 108.800 0.042 0.000 2.175 138 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.244 138 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.244 138 G C -0.059 174.909 174.900 0.114 0.000 0.982 138 G CA 0.041 45.176 45.100 0.059 0.000 0.641 138 G HN 0.391 nan 8.290 nan 0.000 0.527 139 F N 2.822 122.750 119.950 -0.036 0.000 2.504 139 F HA 0.550 5.077 4.527 -0.000 0.000 0.369 139 F C 0.774 176.469 175.800 -0.175 0.000 1.082 139 F CA -0.932 56.995 58.000 -0.123 0.000 1.216 139 F CB 0.344 39.207 39.000 -0.228 0.000 1.108 139 F HN 0.201 nan 8.300 nan 0.000 0.554 140 C N 7.959 126.746 119.300 -0.854 0.000 2.330 140 C HA 0.302 4.762 4.460 -0.000 0.000 0.344 140 C C 1.603 175.996 174.990 -0.995 0.000 1.273 140 C CA -0.853 57.671 59.018 -0.825 0.000 1.879 140 C CB 0.516 27.554 27.740 -1.171 0.000 2.376 140 C HN 0.934 nan 8.230 nan 0.000 0.534 141 L N 1.606 122.568 121.223 -0.435 0.000 2.599 141 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 141 L C 0.398 177.258 176.870 -0.017 0.000 1.141 141 L CA 0.386 55.040 54.840 -0.309 0.000 0.877 141 L CB -0.288 41.724 42.059 -0.078 0.000 1.009 141 L HN 0.848 nan 8.230 nan 0.000 0.447 142 W N -0.581 120.588 121.300 -0.218 0.000 2.799 142 W HA 0.477 5.137 4.660 -0.000 0.000 0.349 142 W C -2.583 173.901 176.519 -0.058 0.000 1.100 142 W CA -2.417 54.893 57.345 -0.057 0.000 1.174 142 W CB 0.477 29.979 29.460 0.070 0.000 1.427 142 W HN -0.327 nan 8.180 nan 0.000 0.547 143 P HA 0.016 nan 4.420 nan 0.000 0.237 143 P C 0.047 177.166 177.300 -0.301 0.000 1.788 143 P CA 0.246 63.214 63.100 -0.220 0.000 1.061 143 P CB 0.547 32.223 31.700 -0.040 0.000 1.967 144 S N 2.112 117.381 115.700 -0.718 0.000 2.552 144 S HA 0.022 4.492 4.470 -0.000 0.000 0.289 144 S C 1.303 175.787 174.600 -0.192 0.000 1.304 144 S CA -0.044 57.913 58.200 -0.405 0.000 1.063 144 S CB 0.307 63.180 63.200 -0.545 0.000 0.848 144 S HN 0.227 nan 8.310 nan 0.000 0.499 145 K N 3.210 123.509 120.400 -0.168 0.000 2.486 145 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 145 K C 0.214 176.524 176.600 -0.483 0.000 1.033 145 K CA 0.839 56.899 56.287 -0.378 0.000 1.004 145 K CB 0.074 32.262 32.500 -0.520 0.000 0.798 145 K HN 0.678 nan 8.250 nan 0.000 0.495 146 Y N -0.303 120.012 120.300 0.025 0.000 2.458 146 Y HA 0.148 4.698 4.550 -0.000 0.000 0.256 146 Y C 0.606 176.637 175.900 0.218 0.000 1.159 146 Y CA -0.162 58.013 58.100 0.125 0.000 1.261 146 Y CB 1.119 39.653 38.460 0.123 0.000 1.119 146 Y HN -0.173 nan 8.280 nan 0.000 0.524 147 T N -0.517 114.135 114.554 0.163 0.000 2.885 147 T HA 0.206 4.556 4.350 -0.000 0.000 0.322 147 T C 0.231 174.864 174.700 -0.111 0.000 1.387 147 T CA -0.819 61.333 62.100 0.085 0.000 1.041 147 T CB 1.263 70.279 68.868 0.248 0.000 1.287 147 T HN 0.224 nan 8.240 nan 0.000 0.491 148 K N 1.552 121.784 120.400 -0.279 0.000 2.418 148 K HA 0.045 4.365 4.320 -0.000 0.000 0.195 148 K C -0.331 176.074 176.600 -0.325 0.000 1.035 148 K CA 0.472 56.554 56.287 -0.342 0.000 1.003 148 K CB -0.142 32.110 32.500 -0.413 0.000 0.793 148 K HN 0.544 nan 8.250 nan 0.000 0.494 149 Y N 3.227 123.524 120.300 -0.005 0.000 2.667 149 Y HA 0.134 4.684 4.550 -0.000 0.000 0.340 149 Y C 0.467 176.335 175.900 -0.054 0.000 1.303 149 Y CA -0.204 57.922 58.100 0.042 0.000 1.769 149 Y CB -0.289 38.224 38.460 0.089 0.000 1.804 149 Y HN 0.153 nan 8.280 nan 0.000 0.451 150 T N -4.285 110.255 114.554 -0.024 0.000 2.841 150 T HA 0.356 4.706 4.350 -0.000 0.000 0.296 150 T C 0.952 175.524 174.700 -0.214 0.000 1.166 150 T CA -0.348 61.534 62.100 -0.364 0.000 1.007 150 T CB 0.879 69.496 68.868 -0.418 0.000 1.253 150 T HN 0.086 nan 8.240 nan 0.000 0.511 151 V N -0.140 119.520 119.914 -0.422 0.000 2.469 151 V HA 0.017 4.137 4.120 -0.000 0.000 0.251 151 V C 2.961 179.071 176.094 0.026 0.000 1.064 151 V CA 2.001 64.229 62.300 -0.120 0.000 1.066 151 V CB -2.092 29.664 31.823 -0.112 0.000 0.667 151 V HN 1.075 nan 8.190 nan 0.000 0.461 152 A N 0.986 123.779 122.820 -0.044 0.000 1.978 152 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 152 A C 1.854 179.444 177.584 0.010 0.000 1.170 152 A CA 2.073 54.100 52.037 -0.015 0.000 0.636 152 A CB -0.746 18.220 19.000 -0.057 0.000 0.810 152 A HN 0.636 nan 8.150 nan 0.000 0.448 153 N N 0.219 118.927 118.700 0.014 0.000 2.295 153 N HA 0.049 4.789 4.740 -0.000 0.000 0.221 153 N C 0.178 175.731 175.510 0.072 0.000 1.129 153 N CA 0.827 53.893 53.050 0.027 0.000 0.836 153 N CB 0.179 38.661 38.487 -0.009 0.000 1.040 153 N HN 0.677 nan 8.380 nan 0.000 0.494 154 T N -3.068 111.561 114.554 0.125 0.000 2.944 154 T HA 0.412 4.761 4.350 -0.000 0.000 0.284 154 T C -1.919 172.880 174.700 0.165 0.000 1.010 154 T CA -1.810 60.395 62.100 0.175 0.000 1.025 154 T CB 2.386 71.458 68.868 0.340 0.000 1.079 154 T HN -0.273 nan 8.240 nan 0.000 0.516 155 P HA -0.050 nan 4.420 nan 0.000 0.219 155 P C 0.896 178.282 177.300 0.143 0.000 1.146 155 P CA 0.705 63.872 63.100 0.112 0.000 0.808 155 P CB -0.158 31.593 31.700 0.085 0.000 0.779 156 Y N 1.078 121.427 120.300 0.082 0.000 2.242 156 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 156 Y C 1.610 177.556 175.900 0.076 0.000 1.137 156 Y CA 1.758 59.898 58.100 0.068 0.000 1.181 156 Y CB -0.286 38.218 38.460 0.073 0.000 0.989 156 Y HN -0.170 nan 8.280 nan 0.000 0.527 157 K N -1.323 119.182 120.400 0.174 0.000 3.599 157 K HA -0.328 3.992 4.320 -0.000 0.000 0.317 157 K C 0.517 177.157 176.600 0.067 0.000 0.781 157 K CA 1.709 58.040 56.287 0.074 0.000 1.375 157 K CB -1.153 31.349 32.500 0.002 0.000 1.412 157 K HN 0.229 nan 8.250 nan 0.000 0.455 158 R N 1.836 122.360 120.500 0.039 0.000 2.679 158 R HA -0.011 4.329 4.340 -0.000 0.000 0.268 158 R C 0.108 176.502 176.300 0.156 0.000 1.044 158 R CA 0.100 56.236 56.100 0.060 0.000 1.105 158 R CB 0.259 30.550 30.300 -0.014 0.000 0.989 158 R HN 0.095 nan 8.270 nan 0.000 0.447 159 D N 3.900 124.385 120.400 0.142 0.000 2.498 159 D HA -0.005 4.635 4.640 -0.000 0.000 0.229 159 D C 1.149 177.563 176.300 0.190 0.000 1.188 159 D CA 0.136 54.241 54.000 0.176 0.000 1.028 159 D CB -0.066 40.866 40.800 0.219 0.000 1.087 159 D HN 0.445 nan 8.370 nan 0.000 0.510 160 I N 2.019 122.680 120.570 0.151 0.000 2.151 160 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 160 I C 2.185 178.385 176.117 0.138 0.000 1.080 160 I CA 0.659 62.014 61.300 0.092 0.000 1.339 160 I CB -0.210 37.760 38.000 -0.050 0.000 1.039 160 I HN 0.367 nan 8.210 nan 0.000 0.409 161 L N 1.214 122.497 121.223 0.100 0.000 1.989 161 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 161 L C 2.409 179.264 176.870 -0.024 0.000 1.071 161 L CA 2.414 57.250 54.840 -0.007 0.000 0.749 161 L CB -1.307 40.624 42.059 -0.213 0.000 0.890 161 L HN 0.233 nan 8.230 nan 0.000 0.431 162 G N -1.427 107.431 108.800 0.097 0.000 2.440 162 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 162 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 162 G C 1.437 176.468 174.900 0.219 0.000 1.154 162 G CA 0.858 46.136 45.100 0.297 0.000 0.767 162 G HN 0.552 nan 8.290 nan 0.000 0.552 163 E N 0.022 120.341 120.200 0.198 0.000 2.051 163 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 163 E C 2.613 179.278 176.600 0.110 0.000 0.991 163 E CA 0.605 57.106 56.400 0.168 0.000 0.799 163 E CB -0.209 29.641 29.700 0.249 0.000 0.748 163 E HN 0.396 nan 8.360 nan 0.000 0.449 164 L N 0.596 121.909 121.223 0.151 0.000 2.046 164 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 164 L C 2.542 179.518 176.870 0.178 0.000 1.077 164 L CA 0.743 55.643 54.840 0.100 0.000 0.747 164 L CB -0.459 41.781 42.059 0.303 0.000 0.896 164 L HN 0.047 nan 8.230 nan 0.000 0.432 165 V N 0.238 120.282 119.914 0.216 0.000 2.287 165 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 165 V C 2.601 178.807 176.094 0.186 0.000 1.053 165 V CA 2.166 64.605 62.300 0.232 0.000 1.027 165 V CB -0.513 31.433 31.823 0.205 0.000 0.646 165 V HN 0.415 nan 8.190 nan 0.000 0.447 166 K N 1.156 121.644 120.400 0.146 0.000 2.009 166 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 166 K C 2.039 178.675 176.600 0.059 0.000 1.049 166 K CA 2.080 58.428 56.287 0.103 0.000 0.929 166 K CB -0.806 31.748 32.500 0.092 0.000 0.714 166 K HN 0.364 nan 8.250 nan 0.000 0.440 167 A N -0.587 122.231 122.820 -0.002 0.000 1.898 167 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 167 A C 2.099 179.652 177.584 -0.051 0.000 1.181 167 A CA 1.409 53.397 52.037 -0.083 0.000 0.620 167 A CB -0.895 17.980 19.000 -0.209 0.000 0.819 167 A HN 0.429 nan 8.150 nan 0.000 0.442 168 Y N 0.628 120.967 120.300 0.066 0.000 2.163 168 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 168 Y C 2.396 178.316 175.900 0.035 0.000 1.136 168 Y CA 1.470 59.603 58.100 0.054 0.000 1.147 168 Y CB -0.590 37.912 38.460 0.071 0.000 0.987 168 Y HN 0.299 nan 8.280 nan 0.000 0.509 169 N N 0.159 118.978 118.700 0.199 0.000 2.223 169 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 169 N C 1.292 176.848 175.510 0.078 0.000 1.016 169 N CA 1.413 54.534 53.050 0.117 0.000 0.863 169 N CB -0.466 38.082 38.487 0.101 0.000 0.983 169 N HN 0.312 nan 8.380 nan 0.000 0.429 170 D N 0.817 121.256 120.400 0.066 0.000 2.149 170 D HA -0.104 4.535 4.640 -0.000 0.000 0.198 170 D C 1.099 177.419 176.300 0.033 0.000 0.990 170 D CA 0.879 54.902 54.000 0.038 0.000 0.839 170 D CB -0.034 40.778 40.800 0.020 0.000 0.948 170 D HN 0.316 nan 8.370 nan 0.000 0.460 171 E N -0.443 119.787 120.200 0.050 0.000 2.476 171 E HA 0.152 4.502 4.350 -0.000 0.000 0.191 171 E C 1.068 177.689 176.600 0.035 0.000 1.064 171 E CA 0.309 56.734 56.400 0.042 0.000 0.866 171 E CB 0.418 30.155 29.700 0.063 0.000 0.952 171 E HN 0.282 nan 8.360 nan 0.000 0.492 172 G N 1.909 110.732 108.800 0.038 0.000 2.147 172 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 172 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 172 G C 0.219 175.130 174.900 0.019 0.000 1.005 172 G CA 0.102 45.214 45.100 0.020 0.000 0.713 172 G HN 0.267 nan 8.290 nan 0.000 0.515 173 I N 1.123 121.722 120.570 0.050 0.000 2.354 173 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 173 I C -0.177 175.956 176.117 0.027 0.000 0.989 173 I CA -0.988 60.330 61.300 0.030 0.000 1.188 173 I CB 1.084 39.115 38.000 0.052 0.000 1.342 173 I HN -0.069 nan 8.210 nan 0.000 0.457 174 D N 5.408 125.809 120.400 0.002 0.000 2.399 174 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 174 D C -0.345 175.942 176.300 -0.021 0.000 1.133 174 D CA 0.169 54.177 54.000 0.013 0.000 0.890 174 D CB 1.618 42.433 40.800 0.026 0.000 1.201 174 D HN 0.027 nan 8.370 nan 0.000 0.432 175 V N 2.610 122.537 119.914 0.022 0.000 2.495 175 V HA 0.266 4.386 4.120 -0.000 0.000 0.298 175 V C -0.207 175.911 176.094 0.040 0.000 1.031 175 V CA -0.639 61.652 62.300 -0.014 0.000 0.871 175 V CB 1.551 33.384 31.823 0.017 0.000 0.988 175 V HN 0.486 nan 8.190 nan 0.000 0.432 176 H N 4.119 123.087 119.070 -0.169 0.000 2.524 176 H HA 0.523 5.079 4.556 -0.000 0.000 0.353 176 H C -1.418 173.875 175.328 -0.059 0.000 1.136 176 H CA -0.831 55.105 56.048 -0.185 0.000 1.193 176 H CB 2.168 31.920 29.762 -0.017 0.000 1.558 176 H HN 0.417 nan 8.280 nan 0.000 0.515 177 F N 2.353 122.188 119.950 -0.193 0.000 2.361 177 F HA 0.090 4.617 4.527 -0.000 0.000 0.364 177 F C -0.002 175.808 175.800 0.017 0.000 1.117 177 F CA -1.252 56.620 58.000 -0.213 0.000 1.071 177 F CB -0.056 38.574 39.000 -0.617 0.000 1.188 177 F HN 0.469 nan 8.300 nan 0.000 0.464 178 Y N 4.782 125.245 120.300 0.271 0.000 2.425 178 Y HA 0.352 4.902 4.550 -0.000 0.000 0.331 178 Y C -1.329 174.739 175.900 0.280 0.000 1.157 178 Y CA -0.290 58.042 58.100 0.387 0.000 1.372 178 Y CB 0.533 39.263 38.460 0.451 0.000 1.253 178 Y HN 0.454 nan 8.280 nan 0.000 0.536 179 F N 5.912 125.621 119.950 -0.403 0.000 2.585 179 F HA 0.343 4.870 4.527 -0.000 0.000 0.319 179 F C -1.049 174.479 175.800 -0.453 0.000 1.165 179 F CA -0.671 57.150 58.000 -0.299 0.000 0.949 179 F CB 1.379 40.187 39.000 -0.320 0.000 1.218 179 F HN 0.430 nan 8.300 nan 0.000 0.453 180 S N 4.737 120.032 115.700 -0.675 0.000 2.452 180 S HA 0.369 4.839 4.470 -0.000 0.000 0.284 180 S C 0.706 175.061 174.600 -0.408 0.000 1.171 180 S CA -0.569 57.349 58.200 -0.470 0.000 1.064 180 S CB 1.109 64.094 63.200 -0.358 0.000 0.967 180 S HN 0.589 nan 8.310 nan 0.000 0.484 181 V N 6.263 126.141 119.914 -0.060 0.000 2.270 181 V HA -0.058 4.061 4.120 -0.000 0.000 0.245 181 V C 1.695 177.757 176.094 -0.053 0.000 1.043 181 V CA 1.385 63.764 62.300 0.132 0.000 1.014 181 V CB -0.524 31.409 31.823 0.182 0.000 0.645 181 V HN 0.911 nan 8.190 nan 0.000 0.447 182 M N 1.708 121.052 119.600 -0.427 0.000 2.284 182 M HA 0.040 4.520 4.480 -0.000 0.000 0.351 182 M C -0.583 175.253 176.300 -0.773 0.000 1.443 182 M CA 0.742 55.458 55.300 -0.973 0.000 1.031 182 M CB 0.097 32.109 32.600 -0.980 0.000 1.893 182 M HN 0.217 nan 8.290 nan 0.000 0.456 183 D N 5.384 125.299 120.400 -0.809 0.000 2.476 183 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 183 D C -0.214 175.973 176.300 -0.189 0.000 1.291 183 D CA -0.313 53.499 54.000 -0.314 0.000 0.939 183 D CB 0.562 41.475 40.800 0.189 0.000 1.221 183 D HN 0.719 nan 8.370 nan 0.000 0.567 184 W N 2.168 123.339 121.300 -0.214 0.000 2.699 184 W HA -0.042 4.618 4.660 -0.000 0.000 0.249 184 W C 1.997 178.443 176.519 -0.122 0.000 1.280 184 W CA 0.541 57.784 57.345 -0.171 0.000 1.345 184 W CB -0.964 28.365 29.460 -0.219 0.000 1.128 184 W HN 0.471 nan 8.180 nan 0.000 0.642 185 S N -0.683 115.071 115.700 0.089 0.000 2.503 185 S HA 0.022 4.491 4.470 -0.000 0.000 0.217 185 S C 0.651 175.274 174.600 0.038 0.000 0.999 185 S CA 0.036 58.212 58.200 -0.040 0.000 0.914 185 S CB -0.224 62.882 63.200 -0.156 0.000 0.782 185 S HN 0.028 nan 8.310 nan 0.000 0.520 186 N N 2.665 121.407 118.700 0.071 0.000 2.457 186 N HA 0.392 5.132 4.740 -0.000 0.000 0.250 186 N C -2.361 173.191 175.510 0.070 0.000 0.982 186 N CA -2.143 50.928 53.050 0.035 0.000 0.941 186 N CB 1.719 40.198 38.487 -0.012 0.000 1.120 186 N HN 0.002 nan 8.380 nan 0.000 0.505 187 P HA -0.007 nan 4.420 nan 0.000 0.228 187 P C 0.126 177.456 177.300 0.050 0.000 1.151 187 P CA 0.847 63.981 63.100 0.057 0.000 0.770 187 P CB 0.452 32.181 31.700 0.049 0.000 0.786 188 D N -2.285 118.151 120.400 0.059 0.000 2.355 188 D HA -0.064 4.576 4.640 -0.000 0.000 0.218 188 D C 0.519 176.830 176.300 0.018 0.000 1.004 188 D CA 0.206 54.251 54.000 0.075 0.000 0.880 188 D CB -0.500 40.372 40.800 0.120 0.000 0.911 188 D HN 0.211 nan 8.370 nan 0.000 0.528 189 Y N 2.117 122.258 120.300 -0.265 0.000 2.597 189 Y HA 0.106 4.656 4.550 -0.000 0.000 0.336 189 Y C 0.338 176.063 175.900 -0.292 0.000 1.216 189 Y CA 0.162 57.881 58.100 -0.634 0.000 1.463 189 Y CB 0.415 38.400 38.460 -0.793 0.000 1.303 189 Y HN -0.301 nan 8.280 nan 0.000 0.576 190 R N 4.926 124.723 120.500 -1.173 0.000 2.673 190 R HA 0.137 4.477 4.340 -0.000 0.000 0.281 190 R C -0.520 175.033 176.300 -1.246 0.000 0.991 190 R CA -0.710 54.871 56.100 -0.865 0.000 0.896 190 R CB 1.033 31.003 30.300 -0.550 0.000 1.201 190 R HN 0.857 nan 8.270 nan 0.000 0.457 191 Y N -0.460 119.496 120.300 -0.573 0.000 2.475 191 Y HA 0.086 4.636 4.550 -0.000 0.000 0.289 191 Y C 0.707 176.411 175.900 -0.327 0.000 1.121 191 Y CA 0.692 58.590 58.100 -0.337 0.000 1.257 191 Y CB 0.578 38.987 38.460 -0.085 0.000 1.026 191 Y HN 0.450 nan 8.280 nan 0.000 0.555 192 D N -1.713 118.548 120.400 -0.231 0.000 2.622 192 D HA 0.290 4.929 4.640 -0.000 0.000 0.255 192 D C -1.705 174.426 176.300 -0.282 0.000 1.246 192 D CA -0.525 53.334 54.000 -0.235 0.000 0.795 192 D CB 1.715 42.456 40.800 -0.099 0.000 1.369 192 D HN -0.304 nan 8.370 nan 0.000 0.425 193 I N 2.481 122.909 120.570 -0.237 0.000 2.359 193 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 193 I C 0.847 176.904 176.117 -0.100 0.000 1.018 193 I CA -0.253 60.937 61.300 -0.183 0.000 1.173 193 I CB 1.145 39.044 38.000 -0.169 0.000 1.326 193 I HN 0.382 nan 8.210 nan 0.000 0.462 194 K N 3.194 123.547 120.400 -0.078 0.000 2.477 194 K HA 0.205 4.525 4.320 -0.000 0.000 0.208 194 K C 0.031 176.611 176.600 -0.034 0.000 1.117 194 K CA 0.040 56.297 56.287 -0.049 0.000 1.039 194 K CB 0.978 33.451 32.500 -0.046 0.000 0.937 194 K HN 0.744 nan 8.250 nan 0.000 0.570 195 S N -1.093 114.588 115.700 -0.033 0.000 2.615 195 S HA 0.240 4.710 4.470 -0.000 0.000 0.269 195 S C 0.180 174.774 174.600 -0.011 0.000 1.161 195 S CA -0.853 57.336 58.200 -0.019 0.000 0.817 195 S CB 1.885 65.075 63.200 -0.016 0.000 1.131 195 S HN -0.063 nan 8.310 nan 0.000 0.467 196 K N 1.096 121.494 120.400 -0.003 0.000 2.097 196 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 196 K C 1.827 178.433 176.600 0.010 0.000 1.049 196 K CA 2.161 58.451 56.287 0.005 0.000 0.933 196 K CB -0.530 31.973 32.500 0.005 0.000 0.717 196 K HN 0.699 nan 8.250 nan 0.000 0.442 197 E N 0.436 120.639 120.200 0.005 0.000 2.049 197 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 197 E C 1.210 177.816 176.600 0.011 0.000 1.007 197 E CA 1.941 58.346 56.400 0.008 0.000 0.809 197 E CB -0.218 29.483 29.700 0.003 0.000 0.749 197 E HN 0.359 nan 8.360 nan 0.000 0.450 198 D N -0.061 120.335 120.400 -0.006 0.000 2.104 198 D HA -0.137 4.502 4.640 -0.000 0.000 0.194 198 D C 2.028 178.338 176.300 0.016 0.000 0.994 198 D CA 1.363 55.350 54.000 -0.022 0.000 0.830 198 D CB -0.530 40.229 40.800 -0.068 0.000 0.959 198 D HN 0.091 nan 8.370 nan 0.000 0.452 199 S N -0.386 115.329 115.700 0.025 0.000 2.368 199 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 199 S C 1.929 176.593 174.600 0.106 0.000 1.030 199 S CA 0.500 58.743 58.200 0.073 0.000 0.999 199 S CB -0.097 63.132 63.200 0.049 0.000 0.844 199 S HN 0.053 nan 8.310 nan 0.000 0.459 200 I N 2.183 122.794 120.570 0.069 0.000 2.226 200 I HA -0.068 4.102 4.170 -0.000 0.000 0.245 200 I C 2.826 178.990 176.117 0.079 0.000 1.100 200 I CA 1.249 62.587 61.300 0.064 0.000 1.374 200 I CB -1.936 36.089 38.000 0.041 0.000 1.057 200 I HN 0.364 nan 8.210 nan 0.000 0.413 201 A N 0.291 123.160 122.820 0.081 0.000 1.877 201 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 201 A C 2.300 179.971 177.584 0.145 0.000 1.186 201 A CA 1.465 53.556 52.037 0.090 0.000 0.620 201 A CB -1.131 17.907 19.000 0.063 0.000 0.822 201 A HN 0.345 nan 8.150 nan 0.000 0.443 202 F N 0.656 120.595 119.950 -0.018 0.000 2.234 202 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 202 F C 2.732 178.575 175.800 0.072 0.000 1.087 202 F CA 1.269 59.259 58.000 -0.016 0.000 1.340 202 F CB -0.372 38.557 39.000 -0.119 0.000 1.031 202 F HN 0.243 nan 8.300 nan 0.000 0.500 203 S N 0.188 115.953 115.700 0.107 0.000 2.359 203 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 203 S C 2.273 176.877 174.600 0.007 0.000 1.035 203 S CA 1.506 59.734 58.200 0.045 0.000 1.018 203 S CB -0.237 63.013 63.200 0.083 0.000 0.876 203 S HN 0.449 nan 8.310 nan 0.000 0.448 204 R N -0.658 119.868 120.500 0.044 0.000 2.081 204 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 204 R C 2.132 178.460 176.300 0.048 0.000 1.131 204 R CA 1.693 57.823 56.100 0.050 0.000 0.960 204 R CB -0.634 29.703 30.300 0.062 0.000 0.856 204 R HN 0.541 nan 8.270 nan 0.000 0.436 205 F N 1.662 121.540 119.950 -0.121 0.000 2.134 205 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 205 F C 1.890 177.577 175.800 -0.187 0.000 1.097 205 F CA 1.385 59.306 58.000 -0.132 0.000 1.264 205 F CB -0.134 38.728 39.000 -0.231 0.000 1.001 205 F HN -0.108 nan 8.300 nan 0.000 0.479 206 L N -0.136 120.827 121.223 -0.434 0.000 2.093 206 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 206 L C 2.455 179.167 176.870 -0.262 0.000 1.085 206 L CA 1.572 56.046 54.840 -0.611 0.000 0.755 206 L CB -0.789 40.852 42.059 -0.698 0.000 0.904 206 L HN 0.191 nan 8.230 nan 0.000 0.435 207 E N -0.087 120.046 120.200 -0.111 0.000 2.051 207 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 207 E C 2.037 178.584 176.600 -0.087 0.000 0.991 207 E CA 1.514 57.895 56.400 -0.032 0.000 0.799 207 E CB -0.137 29.571 29.700 0.014 0.000 0.748 207 E HN 0.385 nan 8.360 nan 0.000 0.449 208 F N 1.418 121.219 119.950 -0.248 0.000 2.095 208 F HA -0.248 4.278 4.527 -0.000 0.000 0.298 208 F C 2.243 177.854 175.800 -0.315 0.000 1.104 208 F CA 1.944 59.779 58.000 -0.275 0.000 1.232 208 F CB -0.644 38.214 39.000 -0.237 0.000 0.987 208 F HN -0.084 nan 8.300 nan 0.000 0.475 209 T N 0.309 114.546 114.554 -0.529 0.000 2.674 209 T HA -0.201 4.148 4.350 -0.000 0.000 0.265 209 T C 1.445 175.989 174.700 -0.260 0.000 1.039 209 T CA 1.669 63.504 62.100 -0.442 0.000 1.150 209 T CB -0.549 68.081 68.868 -0.397 0.000 0.864 209 T HN 0.254 nan 8.240 nan 0.000 0.427 210 D N 1.153 121.487 120.400 -0.111 0.000 2.133 210 D HA -0.109 4.531 4.640 -0.000 0.000 0.192 210 D C 2.186 178.342 176.300 -0.241 0.000 1.001 210 D CA 0.963 54.919 54.000 -0.074 0.000 0.844 210 D CB -0.506 40.340 40.800 0.077 0.000 0.944 210 D HN 0.207 nan 8.370 nan 0.000 0.447 211 N N 0.432 118.899 118.700 -0.388 0.000 2.120 211 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 211 N C 1.812 176.983 175.510 -0.566 0.000 1.024 211 N CA 0.750 53.409 53.050 -0.651 0.000 0.852 211 N CB -0.248 37.471 38.487 -1.281 0.000 1.003 211 N HN 0.419 nan 8.380 nan 0.000 0.424 212 Q N 0.209 119.726 119.800 -0.472 0.000 2.079 212 Q HA 0.002 4.342 4.340 -0.000 0.000 0.200 212 Q C 2.194 178.145 176.000 -0.083 0.000 0.974 212 Q CA 0.793 56.556 55.803 -0.066 0.000 0.840 212 Q CB -0.086 28.693 28.738 0.068 0.000 0.898 212 Q HN 0.360 nan 8.270 nan 0.000 0.430 213 L N 0.538 121.579 121.223 -0.305 0.000 2.046 213 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 213 L C 2.339 179.044 176.870 -0.275 0.000 1.077 213 L CA 1.232 55.818 54.840 -0.424 0.000 0.747 213 L CB -0.334 41.391 42.059 -0.557 0.000 0.896 213 L HN 0.142 nan 8.230 nan 0.000 0.432 214 K N -0.134 120.142 120.400 -0.208 0.000 2.057 214 K HA -0.228 4.091 4.320 -0.000 0.000 0.206 214 K C 2.026 178.610 176.600 -0.026 0.000 1.050 214 K CA 1.400 57.613 56.287 -0.123 0.000 0.935 214 K CB -0.091 32.349 32.500 -0.101 0.000 0.715 214 K HN 0.315 nan 8.250 nan 0.000 0.439 215 E N 1.312 121.530 120.200 0.031 0.000 2.058 215 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 215 E C 2.052 178.694 176.600 0.069 0.000 0.997 215 E CA 0.973 57.452 56.400 0.132 0.000 0.801 215 E CB -0.020 29.886 29.700 0.343 0.000 0.746 215 E HN 0.197 nan 8.360 nan 0.000 0.450 216 L N 0.429 121.662 121.223 0.016 0.000 2.012 216 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 216 L C 2.715 179.781 176.870 0.327 0.000 1.073 216 L CA 1.251 56.135 54.840 0.073 0.000 0.748 216 L CB -0.491 41.557 42.059 -0.018 0.000 0.891 216 L HN 0.254 nan 8.230 nan 0.000 0.431 217 A N -0.177 122.793 122.820 0.250 0.000 1.933 217 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 217 A C 2.385 180.040 177.584 0.117 0.000 1.175 217 A CA 2.293 54.467 52.037 0.227 0.000 0.628 217 A CB -0.837 18.191 19.000 0.046 0.000 0.814 217 A HN 0.542 nan 8.150 nan 0.000 0.444 218 T N -3.354 111.232 114.554 0.052 0.000 3.035 218 T HA 0.039 4.389 4.350 -0.000 0.000 0.259 218 T C 1.899 176.576 174.700 -0.037 0.000 1.078 218 T CA 0.947 63.053 62.100 0.010 0.000 1.132 218 T CB -0.154 68.715 68.868 0.003 0.000 0.900 218 T HN 0.444 nan 8.240 nan 0.000 0.480 219 R N -0.098 120.340 120.500 -0.104 0.000 2.153 219 R HA 0.094 4.434 4.340 -0.000 0.000 0.218 219 R C -0.289 175.674 176.300 -0.561 0.000 1.072 219 R CA 0.625 56.510 56.100 -0.359 0.000 0.990 219 R CB 0.157 30.158 30.300 -0.499 0.000 0.889 219 R HN 0.485 nan 8.270 nan 0.000 0.452 220 Y N -0.099 120.271 120.300 0.117 0.000 2.584 220 Y HA 0.344 4.893 4.550 -0.000 0.000 0.358 220 Y C -1.954 173.981 175.900 0.058 0.000 1.028 220 Y CA -2.552 55.628 58.100 0.133 0.000 1.148 220 Y CB 1.667 40.308 38.460 0.301 0.000 1.126 220 Y HN 0.071 nan 8.280 nan 0.000 0.658 221 P HA -0.087 nan 4.420 nan 0.000 0.237 221 P C 1.312 178.630 177.300 0.030 0.000 1.178 221 P CA 1.153 64.290 63.100 0.062 0.000 0.766 221 P CB 0.091 31.813 31.700 0.037 0.000 0.876 222 T N -3.695 110.880 114.554 0.033 0.000 3.129 222 T HA 0.065 4.415 4.350 -0.000 0.000 0.251 222 T C 0.793 175.439 174.700 -0.089 0.000 1.117 222 T CA -0.290 61.809 62.100 -0.003 0.000 1.034 222 T CB -0.957 67.930 68.868 0.032 0.000 0.968 222 T HN -0.093 nan 8.240 nan 0.000 0.526 223 V N 2.390 122.182 119.914 -0.204 0.000 2.720 223 V HA 0.130 4.250 4.120 -0.000 0.000 0.307 223 V C 0.781 176.699 176.094 -0.293 0.000 1.071 223 V CA 0.306 62.312 62.300 -0.490 0.000 1.199 223 V CB 0.480 31.730 31.823 -0.955 0.000 0.900 223 V HN 0.345 nan 8.190 nan 0.000 0.494 224 K N 3.860 124.090 120.400 -0.283 0.000 2.360 224 K HA 0.310 4.630 4.320 -0.000 0.000 0.196 224 K C -0.102 176.316 176.600 -0.303 0.000 1.049 224 K CA 0.354 56.526 56.287 -0.192 0.000 1.049 224 K CB 0.288 32.755 32.500 -0.055 0.000 0.881 224 K HN 0.904 nan 8.250 nan 0.000 0.542 225 D N -0.993 119.140 120.400 -0.445 0.000 2.769 225 D HA 0.292 4.931 4.640 -0.000 0.000 0.219 225 D C -1.688 174.457 176.300 -0.259 0.000 1.245 225 D CA -0.516 53.298 54.000 -0.311 0.000 0.801 225 D CB 0.973 41.361 40.800 -0.687 0.000 1.598 225 D HN -0.236 nan 8.370 nan 0.000 0.485 226 F N 2.626 122.584 119.950 0.014 0.000 2.427 226 F HA 0.443 4.969 4.527 -0.000 0.000 0.348 226 F C -0.788 175.078 175.800 0.111 0.000 1.125 226 F CA -0.686 57.304 58.000 -0.016 0.000 0.989 226 F CB 1.389 40.294 39.000 -0.158 0.000 1.165 226 F HN 0.341 nan 8.300 nan 0.000 0.442 227 W N 6.625 127.967 121.300 0.070 0.000 2.282 227 W HA 0.554 5.214 4.660 -0.000 0.000 0.322 227 W C -1.409 175.080 176.519 -0.049 0.000 1.011 227 W CA -0.911 56.541 57.345 0.179 0.000 1.392 227 W CB 0.501 30.173 29.460 0.353 0.000 1.215 227 W HN 0.293 nan 8.180 nan 0.000 0.394 228 F N 4.612 124.474 119.950 -0.147 0.000 2.389 228 F HA 0.283 4.810 4.527 -0.000 0.000 0.337 228 F C 0.702 176.196 175.800 -0.511 0.000 1.112 228 F CA 0.295 58.159 58.000 -0.225 0.000 1.192 228 F CB 0.921 39.814 39.000 -0.178 0.000 1.185 228 F HN 0.189 nan 8.300 nan 0.000 0.552 229 D N -0.544 119.690 120.400 -0.276 0.000 2.579 229 D HA 0.448 5.088 4.640 -0.000 0.000 0.257 229 D C 0.002 176.047 176.300 -0.424 0.000 1.176 229 D CA 0.014 53.833 54.000 -0.302 0.000 0.914 229 D CB 1.872 42.577 40.800 -0.158 0.000 1.431 229 D HN 0.703 nan 8.370 nan 0.000 0.454 230 G N 0.488 108.729 108.800 -0.931 0.000 2.338 230 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.296 230 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.296 230 G C 0.535 174.783 174.900 -1.087 0.000 1.040 230 G CA 1.057 45.257 45.100 -1.499 0.000 1.004 230 G HN 0.735 nan 8.290 nan 0.000 0.509 231 T N -4.069 109.914 114.554 -0.952 0.000 3.084 231 T HA 0.277 4.626 4.350 -0.000 0.000 0.270 231 T C 1.459 176.031 174.700 -0.213 0.000 1.008 231 T CA 0.731 62.592 62.100 -0.399 0.000 0.900 231 T CB -0.269 68.468 68.868 -0.218 0.000 1.084 231 T HN 0.892 nan 8.240 nan 0.000 0.538 232 W N 0.770 122.107 121.300 0.062 0.000 3.003 232 W HA 0.470 5.130 4.660 -0.000 0.000 0.257 232 W C -0.495 176.067 176.519 0.071 0.000 1.308 232 W CA -1.189 56.197 57.345 0.068 0.000 1.529 232 W CB -0.571 28.947 29.460 0.097 0.000 1.115 232 W HN -0.070 nan 8.180 nan 0.000 0.659 233 D N 0.930 121.492 120.400 0.271 0.000 2.382 233 D HA 0.160 4.800 4.640 -0.000 0.000 0.240 233 D C 1.551 177.894 176.300 0.071 0.000 1.146 233 D CA 0.778 54.920 54.000 0.237 0.000 0.897 233 D CB 1.545 42.452 40.800 0.179 0.000 1.197 233 D HN 0.070 nan 8.370 nan 0.000 0.432 234 A N 1.770 124.613 122.820 0.038 0.000 2.024 234 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 234 A C 2.094 179.597 177.584 -0.135 0.000 1.164 234 A CA 2.052 54.072 52.037 -0.028 0.000 0.643 234 A CB -0.519 18.466 19.000 -0.025 0.000 0.806 234 A HN 0.581 nan 8.150 nan 0.000 0.451 235 S N -0.304 115.222 115.700 -0.289 0.000 2.368 235 S HA -0.139 4.330 4.470 -0.000 0.000 0.225 235 S C 1.718 176.117 174.600 -0.336 0.000 1.030 235 S CA 1.519 59.357 58.200 -0.603 0.000 0.999 235 S CB -0.951 61.465 63.200 -1.306 0.000 0.844 235 S HN 0.280 nan 8.310 nan 0.000 0.459 236 V N 2.199 122.040 119.914 -0.122 0.000 2.379 236 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 236 V C 2.649 178.732 176.094 -0.019 0.000 1.044 236 V CA 1.776 64.084 62.300 0.012 0.000 1.036 236 V CB -0.725 31.111 31.823 0.022 0.000 0.664 236 V HN 0.438 nan 8.190 nan 0.000 0.453 237 K N 0.176 120.564 120.400 -0.019 0.000 2.103 237 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 237 K C 2.131 178.733 176.600 0.003 0.000 1.048 237 K CA 1.468 57.754 56.287 -0.001 0.000 0.930 237 K CB -0.172 32.340 32.500 0.020 0.000 0.716 237 K HN 0.382 nan 8.250 nan 0.000 0.444 238 K N 0.195 120.588 120.400 -0.012 0.000 2.366 238 K HA -0.029 4.290 4.320 -0.000 0.000 0.198 238 K C 0.171 176.814 176.600 0.073 0.000 1.044 238 K CA 0.717 57.017 56.287 0.020 0.000 0.973 238 K CB 0.137 32.629 32.500 -0.014 0.000 0.767 238 K HN 0.108 nan 8.250 nan 0.000 0.475 239 N N -0.325 118.390 118.700 0.025 0.000 2.610 239 N HA 0.085 4.825 4.740 -0.000 0.000 0.309 239 N C 0.670 175.992 175.510 -0.314 0.000 1.536 239 N CA -0.262 52.756 53.050 -0.053 0.000 0.954 239 N CB 1.324 39.798 38.487 -0.021 0.000 1.310 239 N HN 0.091 nan 8.380 nan 0.000 0.502 240 G N 0.966 109.678 108.800 -0.146 0.000 2.469 240 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 240 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 240 G C 1.350 176.002 174.900 -0.413 0.000 1.150 240 G CA 0.793 45.787 45.100 -0.178 0.000 0.763 240 G HN 0.694 nan 8.290 nan 0.000 0.561 241 W N -0.033 120.869 121.300 -0.662 0.000 2.292 241 W HA -0.209 4.451 4.660 -0.000 0.000 0.304 241 W C 2.019 178.290 176.519 -0.414 0.000 1.228 241 W CA 1.002 57.647 57.345 -1.167 0.000 1.241 241 W CB -1.135 27.687 29.460 -1.065 0.000 1.142 241 W HN 0.335 nan 8.180 nan 0.000 0.520 242 W N 3.809 124.102 121.300 -1.678 0.000 2.418 242 W HA -0.160 4.500 4.660 -0.000 0.000 0.292 242 W C 3.005 179.125 176.519 -0.664 0.000 1.213 242 W CA 3.611 60.039 57.345 -1.529 0.000 1.283 242 W CB -0.568 27.884 29.460 -1.681 0.000 1.119 242 W HN -0.031 nan 8.180 nan 0.000 0.542 243 T N -1.270 112.946 114.554 -0.564 0.000 2.821 243 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 243 T C 1.919 176.232 174.700 -0.646 0.000 1.046 243 T CA 1.761 63.456 62.100 -0.676 0.000 1.139 243 T CB -0.978 67.672 68.868 -0.363 0.000 0.871 243 T HN 0.142 nan 8.240 nan 0.000 0.454 244 A N 1.478 124.054 122.820 -0.407 0.000 1.898 244 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 244 A C 2.205 179.635 177.584 -0.258 0.000 1.181 244 A CA 2.021 53.915 52.037 -0.238 0.000 0.620 244 A CB -1.280 17.729 19.000 0.015 0.000 0.819 244 A HN 0.833 nan 8.150 nan 0.000 0.442 245 H N 0.157 119.009 119.070 -0.363 0.000 2.319 245 H HA 0.013 4.569 4.556 -0.000 0.000 0.299 245 H C 2.065 177.074 175.328 -0.532 0.000 1.092 245 H CA 2.130 57.979 56.048 -0.331 0.000 1.302 245 H CB -0.338 29.316 29.762 -0.180 0.000 1.373 245 H HN 0.354 nan 8.280 nan 0.000 0.497 246 A N 0.716 122.852 122.820 -1.140 0.000 1.902 246 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 246 A C 2.414 179.511 177.584 -0.811 0.000 1.181 246 A CA 1.818 53.130 52.037 -1.208 0.000 0.623 246 A CB -0.826 17.162 19.000 -1.687 0.000 0.818 246 A HN 0.738 nan 8.150 nan 0.000 0.443 247 E N -0.811 118.985 120.200 -0.674 0.000 2.038 247 E HA -0.321 4.028 4.350 -0.000 0.000 0.195 247 E C 2.214 178.605 176.600 -0.350 0.000 1.000 247 E CA 1.706 57.838 56.400 -0.446 0.000 0.803 247 E CB -0.180 29.300 29.700 -0.365 0.000 0.750 247 E HN 0.600 nan 8.360 nan 0.000 0.448 248 Q N 0.587 120.191 119.800 -0.327 0.000 2.084 248 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 248 Q C 2.164 178.005 176.000 -0.264 0.000 0.978 248 Q CA 2.084 57.747 55.803 -0.233 0.000 0.844 248 Q CB -0.334 28.311 28.738 -0.156 0.000 0.898 248 Q HN 0.432 nan 8.270 nan 0.000 0.426 249 M N -0.815 118.541 119.600 -0.407 0.000 2.080 249 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 249 M C 1.575 177.685 176.300 -0.318 0.000 1.068 249 M CA 1.602 56.666 55.300 -0.394 0.000 1.109 249 M CB -0.056 32.169 32.600 -0.626 0.000 1.342 249 M HN 0.365 nan 8.290 nan 0.000 0.405 250 L N -0.085 120.915 121.223 -0.372 0.000 2.156 250 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 250 L C 2.391 179.149 176.870 -0.187 0.000 1.095 250 L CA 1.138 55.782 54.840 -0.325 0.000 0.770 250 L CB -0.481 41.297 42.059 -0.468 0.000 0.914 250 L HN 0.271 nan 8.230 nan 0.000 0.439 251 K N 0.030 120.327 120.400 -0.173 0.000 2.097 251 K HA -0.171 4.148 4.320 -0.000 0.000 0.205 251 K C 1.984 178.531 176.600 -0.089 0.000 1.050 251 K CA 1.240 57.462 56.287 -0.110 0.000 0.938 251 K CB -0.012 32.423 32.500 -0.109 0.000 0.718 251 K HN 0.313 nan 8.250 nan 0.000 0.442 252 E N 0.546 120.684 120.200 -0.105 0.000 2.153 252 E HA -0.147 4.202 4.350 -0.000 0.000 0.194 252 E C 1.819 178.380 176.600 -0.065 0.000 0.988 252 E CA 0.868 57.221 56.400 -0.078 0.000 0.811 252 E CB 0.079 29.730 29.700 -0.081 0.000 0.746 252 E HN 0.230 nan 8.360 nan 0.000 0.466 253 L N -0.005 121.171 121.223 -0.080 0.000 2.307 253 L HA 0.036 4.376 4.340 -0.000 0.000 0.211 253 L C 0.256 177.110 176.870 -0.026 0.000 1.099 253 L CA 0.234 55.041 54.840 -0.056 0.000 0.816 253 L CB 0.700 42.714 42.059 -0.075 0.000 0.952 253 L HN -0.104 nan 8.230 nan 0.000 0.455 254 V N 1.408 121.309 119.914 -0.022 0.000 2.357 254 V HA 0.271 4.391 4.120 -0.000 0.000 0.281 254 V C -2.302 173.788 176.094 -0.007 0.000 1.015 254 V CA -1.611 60.693 62.300 0.006 0.000 0.827 254 V CB 1.138 32.995 31.823 0.057 0.000 1.018 254 V HN -0.035 nan 8.190 nan 0.000 0.432 255 P HA 0.121 nan 4.420 nan 0.000 0.260 255 P C 1.064 178.357 177.300 -0.012 0.000 1.185 255 P CA 1.350 64.442 63.100 -0.013 0.000 0.763 255 P CB 0.652 32.347 31.700 -0.008 0.000 0.776 256 G N 1.928 110.717 108.800 -0.017 0.000 2.162 256 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 256 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 256 G C 0.209 175.094 174.900 -0.024 0.000 0.976 256 G CA -0.019 45.070 45.100 -0.018 0.000 0.655 256 G HN 0.645 nan 8.290 nan 0.000 0.533 257 V N 0.874 120.777 119.914 -0.017 0.000 2.788 257 V HA 0.461 4.581 4.120 -0.000 0.000 0.307 257 V C 1.024 177.104 176.094 -0.023 0.000 1.069 257 V CA 0.760 63.057 62.300 -0.005 0.000 1.173 257 V CB 1.037 32.894 31.823 0.057 0.000 0.925 257 V HN 1.519 nan 8.190 nan 0.000 0.492 258 A N 7.780 130.577 122.820 -0.038 0.000 2.306 258 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 258 A C -0.682 176.961 177.584 0.098 0.000 1.164 258 A CA -0.603 51.405 52.037 -0.049 0.000 0.822 258 A CB 0.646 19.476 19.000 -0.284 0.000 1.130 258 A HN 0.648 nan 8.150 nan 0.000 0.496 259 I N 3.127 123.731 120.570 0.056 0.000 2.499 259 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 259 I C -0.441 175.518 176.117 -0.263 0.000 1.048 259 I CA -0.747 60.567 61.300 0.022 0.000 1.062 259 I CB 1.631 39.596 38.000 -0.058 0.000 1.238 259 I HN 0.900 nan 8.210 nan 0.000 0.426 260 N N 3.874 122.376 118.700 -0.329 0.000 2.444 260 N HA 0.019 4.759 4.740 -0.000 0.000 0.255 260 N C 0.877 176.057 175.510 -0.550 0.000 1.255 260 N CA -0.062 52.502 53.050 -0.810 0.000 0.933 260 N CB 0.932 39.074 38.487 -0.575 0.000 1.143 260 N HN 0.581 nan 8.380 nan 0.000 0.453 261 S N 0.801 116.181 115.700 -0.533 0.000 2.447 261 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 261 S C 1.698 175.937 174.600 -0.601 0.000 1.006 261 S CA 0.676 58.614 58.200 -0.438 0.000 0.957 261 S CB -0.334 62.693 63.200 -0.288 0.000 0.773 261 S HN 0.742 nan 8.310 nan 0.000 0.507 262 R N 0.516 120.672 120.500 -0.574 0.000 2.148 262 R HA 0.034 4.374 4.340 -0.000 0.000 0.227 262 R C 2.229 178.236 176.300 -0.489 0.000 1.103 262 R CA 1.029 56.729 56.100 -0.668 0.000 0.983 262 R CB -0.471 29.583 30.300 -0.409 0.000 0.874 262 R HN 0.486 nan 8.270 nan 0.000 0.451 263 L N 0.814 121.788 121.223 -0.415 0.000 2.042 263 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 263 L C 0.228 176.850 176.870 -0.414 0.000 1.076 263 L CA 1.634 56.201 54.840 -0.455 0.000 0.749 263 L CB -0.120 41.522 42.059 -0.695 0.000 0.893 263 L HN 0.012 nan 8.230 nan 0.000 0.432 264 R N 0.728 120.982 120.500 -0.411 0.000 2.297 264 R HA 0.639 4.979 4.340 -0.000 0.000 0.308 264 R C -0.573 175.589 176.300 -0.229 0.000 1.029 264 R CA 0.296 56.200 56.100 -0.327 0.000 0.929 264 R CB 1.005 31.114 30.300 -0.318 0.000 1.046 264 R HN 0.306 nan 8.270 nan 0.000 0.461 265 A N 2.556 125.281 122.820 -0.159 0.000 2.386 265 A HA 0.441 4.761 4.320 -0.000 0.000 0.311 265 A C -0.454 177.112 177.584 -0.030 0.000 1.068 265 A CA -0.846 51.145 52.037 -0.076 0.000 0.743 265 A CB 1.280 20.249 19.000 -0.051 0.000 1.258 265 A HN 0.730 nan 8.150 nan 0.000 0.429 266 D N 0.550 120.964 120.400 0.024 0.000 2.507 266 D HA 0.207 4.846 4.640 -0.000 0.000 0.280 266 D C -0.013 176.380 176.300 0.154 0.000 1.219 266 D CA -0.129 53.928 54.000 0.096 0.000 1.085 266 D CB -0.044 40.800 40.800 0.073 0.000 1.134 266 D HN 0.319 nan 8.370 nan 0.000 0.583 267 D N -1.049 119.482 120.400 0.218 0.000 2.182 267 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 267 D C 1.178 177.566 176.300 0.148 0.000 0.986 267 D CA 1.373 55.524 54.000 0.250 0.000 0.847 267 D CB -0.082 40.828 40.800 0.184 0.000 0.942 267 D HN 0.251 nan 8.370 nan 0.000 0.467 268 K N -1.119 119.341 120.400 0.100 0.000 2.374 268 K HA 0.342 4.662 4.320 -0.000 0.000 0.196 268 K C 1.138 177.775 176.600 0.061 0.000 1.023 268 K CA 0.459 56.789 56.287 0.071 0.000 1.103 268 K CB 0.864 33.397 32.500 0.055 0.000 0.848 268 K HN 0.130 nan 8.250 nan 0.000 0.528 269 G N 0.922 109.760 108.800 0.062 0.000 2.176 269 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.253 269 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.253 269 G C -0.285 174.643 174.900 0.046 0.000 0.979 269 G CA -0.101 45.027 45.100 0.046 0.000 0.641 269 G HN 0.262 nan 8.290 nan 0.000 0.530 270 K N 0.797 121.228 120.400 0.051 0.000 2.368 270 K HA 0.503 4.823 4.320 -0.000 0.000 0.282 270 K C 0.866 177.499 176.600 0.054 0.000 1.035 270 K CA -0.003 56.320 56.287 0.060 0.000 0.973 270 K CB 0.553 33.091 32.500 0.063 0.000 0.957 270 K HN 0.313 nan 8.250 nan 0.000 0.474 271 R N 1.406 121.955 120.500 0.083 0.000 2.720 271 R HA 0.316 4.656 4.340 -0.000 0.000 0.272 271 R C 0.391 176.777 176.300 0.142 0.000 0.991 271 R CA -0.803 55.328 56.100 0.051 0.000 1.010 271 R CB 1.155 31.497 30.300 0.069 0.000 1.141 271 R HN 0.797 nan 8.270 nan 0.000 0.494 272 H N -0.091 118.926 119.070 -0.088 0.000 4.891 272 H HA -0.260 4.296 4.556 -0.000 0.000 0.059 272 H C -0.400 174.684 175.328 -0.408 0.000 0.587 272 H CA 2.186 58.100 56.048 -0.224 0.000 0.970 272 H CB -0.971 28.745 29.762 -0.076 0.000 0.535 272 H HN 0.384 nan 8.280 nan 0.000 0.802 273 F N 3.287 123.236 119.950 -0.001 0.000 2.469 273 F HA 0.288 4.815 4.527 -0.000 0.000 0.332 273 F C 0.749 176.519 175.800 -0.050 0.000 1.103 273 F CA -0.625 57.324 58.000 -0.084 0.000 0.979 273 F CB 1.198 40.121 39.000 -0.128 0.000 1.137 273 F HN 0.192 nan 8.300 nan 0.000 0.463 274 D N 0.226 120.685 120.400 0.098 0.000 2.393 274 D HA 0.059 4.699 4.640 -0.000 0.000 0.246 274 D C 0.928 177.270 176.300 0.071 0.000 1.275 274 D CA -0.423 53.613 54.000 0.061 0.000 0.979 274 D CB 0.363 41.178 40.800 0.025 0.000 1.101 274 D HN 0.348 nan 8.370 nan 0.000 0.505 275 S N -0.816 114.914 115.700 0.050 0.000 2.465 275 S HA -0.106 4.364 4.470 -0.000 0.000 0.241 275 S C 0.934 175.554 174.600 0.034 0.000 1.000 275 S CA 0.532 58.757 58.200 0.041 0.000 0.964 275 S CB -0.450 62.770 63.200 0.035 0.000 0.763 275 S HN 0.459 nan 8.310 nan 0.000 0.512 276 N N 0.356 119.077 118.700 0.036 0.000 2.235 276 N HA 0.176 4.916 4.740 -0.000 0.000 0.209 276 N C 1.115 176.650 175.510 0.042 0.000 1.122 276 N CA 0.666 53.736 53.050 0.032 0.000 0.845 276 N CB 0.803 39.306 38.487 0.027 0.000 1.004 276 N HN 0.469 nan 8.380 nan 0.000 0.499 277 G N 1.348 110.182 108.800 0.055 0.000 2.159 277 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 277 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 277 G C 0.088 175.072 174.900 0.140 0.000 0.977 277 G CA -0.178 44.957 45.100 0.058 0.000 0.652 277 G HN 0.313 nan 8.290 nan 0.000 0.531 278 R N -0.529 120.049 120.500 0.130 0.000 2.349 278 R HA 0.576 4.916 4.340 -0.000 0.000 0.299 278 R C 0.340 176.665 176.300 0.042 0.000 1.027 278 R CA -0.916 55.248 56.100 0.107 0.000 0.958 278 R CB 1.267 31.595 30.300 0.046 0.000 1.047 278 R HN 0.212 nan 8.270 nan 0.000 0.468 279 L N 3.474 124.627 121.223 -0.117 0.000 2.455 279 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 279 L C -0.420 176.233 176.870 -0.363 0.000 1.174 279 L CA 0.978 55.465 54.840 -0.588 0.000 0.869 279 L CB 0.431 42.055 42.059 -0.725 0.000 1.130 279 L HN 0.544 nan 8.230 nan 0.000 0.474 280 M N 4.310 123.666 119.600 -0.407 0.000 2.409 280 M HA 0.595 5.075 4.480 -0.000 0.000 0.329 280 M C 0.876 176.985 176.300 -0.319 0.000 1.180 280 M CA 0.106 55.235 55.300 -0.285 0.000 1.053 280 M CB 1.310 33.767 32.600 -0.238 0.000 1.586 280 M HN 0.907 nan 8.290 nan 0.000 0.461 281 G N 1.451 110.096 108.800 -0.259 0.000 2.698 281 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.233 281 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.233 281 G C -0.292 174.483 174.900 -0.209 0.000 1.352 281 G CA -0.117 44.825 45.100 -0.264 0.000 0.879 281 G HN 0.783 nan 8.290 nan 0.000 0.567 282 D N -0.606 119.679 120.400 -0.193 0.000 2.355 282 D HA 0.242 4.882 4.640 -0.000 0.000 0.206 282 D C 0.757 177.104 176.300 0.079 0.000 1.010 282 D CA 2.062 56.028 54.000 -0.057 0.000 0.875 282 D CB 0.375 41.155 40.800 -0.032 0.000 0.966 282 D HN 0.670 nan 8.370 nan 0.000 0.512 283 Y N -1.552 118.716 120.300 -0.052 0.000 2.592 283 Y HA 0.426 4.975 4.550 -0.000 0.000 0.334 283 Y C -0.839 175.157 175.900 0.161 0.000 1.136 283 Y CA -1.303 56.863 58.100 0.109 0.000 1.042 283 Y CB 0.938 39.478 38.460 0.134 0.000 1.325 283 Y HN -0.378 nan 8.280 nan 0.000 0.457 284 E N 1.663 122.130 120.200 0.445 0.000 2.289 284 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 284 E C -0.694 176.277 176.600 0.619 0.000 1.032 284 E CA -0.046 56.561 56.400 0.345 0.000 0.854 284 E CB 1.116 31.082 29.700 0.443 0.000 1.046 284 E HN 0.744 nan 8.360 nan 0.000 0.409 285 S N 2.269 118.238 115.700 0.448 0.000 2.327 285 S HA 0.351 4.820 4.470 -0.000 0.000 0.203 285 S C 0.538 175.422 174.600 0.472 0.000 1.326 285 S CA -0.385 58.180 58.200 0.609 0.000 1.248 285 S CB 0.845 64.335 63.200 0.484 0.000 1.199 285 S HN 0.482 nan 8.310 nan 0.000 0.422 286 G N 0.323 109.297 108.800 0.290 0.000 2.784 286 G HA2 0.202 4.162 3.960 -0.000 0.000 0.208 286 G HA3 0.202 4.162 3.960 -0.000 0.000 0.208 286 G C -0.138 174.784 174.900 0.037 0.000 1.120 286 G CA -0.284 44.812 45.100 -0.008 0.000 0.774 286 G HN 0.580 nan 8.290 nan 0.000 0.528 287 Y N 2.601 123.106 120.300 0.342 0.000 2.584 287 Y HA 0.338 4.887 4.550 -0.000 0.000 0.351 287 Y C 0.198 176.322 175.900 0.373 0.000 1.030 287 Y CA -0.185 58.093 58.100 0.296 0.000 1.332 287 Y CB 0.401 39.029 38.460 0.281 0.000 1.148 287 Y HN 0.118 nan 8.280 nan 0.000 0.528 288 E N 4.206 124.659 120.200 0.423 0.000 2.241 288 E HA 0.382 4.731 4.350 -0.000 0.000 0.263 288 E C -0.224 176.574 176.600 0.329 0.000 0.882 288 E CA -1.064 55.607 56.400 0.452 0.000 0.769 288 E CB 1.845 31.843 29.700 0.497 0.000 1.185 288 E HN 0.636 nan 8.360 nan 0.000 0.415 289 R N 1.384 122.040 120.500 0.260 0.000 3.758 289 R HA -0.245 4.095 4.340 -0.000 0.000 0.299 289 R C -0.238 176.126 176.300 0.108 0.000 1.182 289 R CA 1.241 57.417 56.100 0.127 0.000 0.809 289 R CB -1.758 28.606 30.300 0.107 0.000 1.249 289 R HN 0.763 nan 8.270 nan 0.000 0.497 290 R N -0.937 119.655 120.500 0.153 0.000 2.664 290 R HA 0.581 4.921 4.340 -0.000 0.000 0.260 290 R C -1.439 174.966 176.300 0.175 0.000 1.062 290 R CA -1.110 55.073 56.100 0.139 0.000 0.902 290 R CB 1.340 31.736 30.300 0.159 0.000 1.258 290 R HN 0.003 nan 8.270 nan 0.000 0.465 291 L N 1.336 122.569 121.223 0.017 0.000 2.371 291 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 291 L C -2.287 174.404 176.870 -0.297 0.000 1.006 291 L CA -2.547 52.144 54.840 -0.249 0.000 0.818 291 L CB 2.745 44.454 42.059 -0.584 0.000 1.354 291 L HN 0.517 nan 8.230 nan 0.000 0.415 292 P HA -0.000 nan 4.420 nan 0.000 0.266 292 P C -1.090 176.200 177.300 -0.017 0.000 1.195 292 P CA -0.100 62.766 63.100 -0.391 0.000 0.768 292 P CB 0.376 31.664 31.700 -0.686 0.000 0.838 293 D N 3.369 123.780 120.400 0.019 0.000 2.383 293 D HA 0.053 4.692 4.640 -0.000 0.000 0.252 293 D C -1.260 175.071 176.300 0.051 0.000 1.166 293 D CA -1.506 52.533 54.000 0.065 0.000 0.879 293 D CB 0.513 41.332 40.800 0.032 0.000 1.164 293 D HN 0.200 nan 8.370 nan 0.000 0.462 294 P HA -0.079 nan 4.420 nan 0.000 0.234 294 P C 0.752 178.069 177.300 0.029 0.000 1.167 294 P CA 0.379 63.498 63.100 0.031 0.000 0.763 294 P CB 0.387 32.056 31.700 -0.051 0.000 0.835 295 V N -0.338 119.582 119.914 0.009 0.000 2.908 295 V HA 0.091 4.211 4.120 -0.000 0.000 0.240 295 V C 2.102 178.198 176.094 0.003 0.000 1.117 295 V CA 1.295 63.600 62.300 0.009 0.000 1.133 295 V CB -0.408 31.412 31.823 -0.005 0.000 0.857 295 V HN 0.029 nan 8.190 nan 0.000 0.478 296 K N -0.240 120.158 120.400 -0.003 0.000 2.352 296 K HA 0.092 4.412 4.320 -0.000 0.000 0.194 296 K C 0.204 176.791 176.600 -0.022 0.000 1.038 296 K CA 0.486 56.768 56.287 -0.008 0.000 1.023 296 K CB 0.309 32.807 32.500 -0.002 0.000 0.840 296 K HN 0.300 nan 8.250 nan 0.000 0.519 297 D N 0.876 121.253 120.400 -0.039 0.000 2.670 297 D HA 0.110 4.750 4.640 -0.000 0.000 0.255 297 D C 1.030 177.241 176.300 -0.150 0.000 1.286 297 D CA 0.012 53.968 54.000 -0.074 0.000 0.830 297 D CB 0.388 41.145 40.800 -0.071 0.000 1.065 297 D HN 0.035 nan 8.370 nan 0.000 0.486 298 L N 0.764 121.905 121.223 -0.137 0.000 2.353 298 L HA -0.183 4.156 4.340 -0.000 0.000 0.220 298 L C 2.518 179.206 176.870 -0.303 0.000 1.133 298 L CA 0.953 55.659 54.840 -0.224 0.000 0.798 298 L CB -0.318 41.654 42.059 -0.145 0.000 0.922 298 L HN 0.142 nan 8.230 nan 0.000 0.445 299 K N 0.688 120.941 120.400 -0.246 0.000 2.127 299 K HA -0.215 4.104 4.320 -0.000 0.000 0.208 299 K C 1.776 177.908 176.600 -0.780 0.000 1.047 299 K CA 2.114 58.205 56.287 -0.326 0.000 0.927 299 K CB -1.058 31.368 32.500 -0.124 0.000 0.716 299 K HN 0.352 nan 8.250 nan 0.000 0.450 300 V N 0.535 119.991 119.914 -0.763 0.000 3.026 300 V HA -0.167 3.952 4.120 -0.000 0.000 0.265 300 V C 2.307 177.909 176.094 -0.821 0.000 1.121 300 V CA 1.943 63.574 62.300 -1.115 0.000 1.142 300 V CB -1.390 29.908 31.823 -0.876 0.000 0.730 300 V HN 0.606 nan 8.190 nan 0.000 0.503 301 T N -2.485 111.745 114.554 -0.540 0.000 3.072 301 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 301 T C 1.689 176.258 174.700 -0.218 0.000 1.127 301 T CA 1.262 63.177 62.100 -0.309 0.000 1.107 301 T CB -0.411 68.133 68.868 -0.540 0.000 0.910 301 T HN 0.626 nan 8.240 nan 0.000 0.513 302 Q N 0.109 119.680 119.800 -0.382 0.000 2.435 302 Q HA 0.185 4.524 4.340 -0.000 0.000 0.207 302 Q C -0.185 175.925 176.000 0.182 0.000 0.956 302 Q CA 0.260 56.010 55.803 -0.088 0.000 0.917 302 Q CB 0.096 28.824 28.738 -0.017 0.000 0.997 302 Q HN 0.923 nan 8.270 nan 0.000 0.497 303 W N -1.474 119.974 121.300 0.246 0.000 3.075 303 W HA 0.477 5.137 4.660 -0.000 0.000 0.334 303 W C -1.336 175.411 176.519 0.380 0.000 1.243 303 W CA -1.243 56.266 57.345 0.274 0.000 1.170 303 W CB 0.460 30.084 29.460 0.274 0.000 1.452 303 W HN -0.334 nan 8.180 nan 0.000 0.572 304 D N 2.161 122.933 120.400 0.620 0.000 2.372 304 D HA 0.205 4.845 4.640 -0.000 0.000 0.243 304 D C -0.166 176.638 176.300 0.839 0.000 1.121 304 D CA 0.765 55.088 54.000 0.537 0.000 0.898 304 D CB 0.632 41.646 40.800 0.357 0.000 1.202 304 D HN 0.575 nan 8.370 nan 0.000 0.428 305 W N 0.651 122.272 121.300 0.535 0.000 3.146 305 W HA 0.487 5.147 4.660 0.000 0.000 0.319 305 W C -1.550 175.296 176.519 0.545 0.000 1.258 305 W CA -0.836 56.889 57.345 0.633 0.000 1.189 305 W CB 1.027 30.889 29.460 0.670 0.000 1.412 305 W HN 0.299 nan 8.180 nan 0.000 0.567 306 E N 1.731 122.440 120.200 0.849 0.000 2.275 306 E HA 0.610 4.959 4.350 -0.000 0.000 0.270 306 E C -1.437 175.632 176.600 0.781 0.000 0.882 306 E CA -0.523 56.219 56.400 0.571 0.000 0.758 306 E CB 2.357 32.407 29.700 0.583 0.000 1.195 306 E HN 0.646 nan 8.360 nan 0.000 0.419 307 A N 2.670 125.838 122.820 0.580 0.000 2.312 307 A HA 0.677 4.997 4.320 -0.000 0.000 0.328 307 A C -0.259 177.607 177.584 0.470 0.000 1.158 307 A CA -0.593 51.813 52.037 0.615 0.000 0.821 307 A CB 0.454 19.781 19.000 0.545 0.000 1.170 307 A HN 0.770 nan 8.150 nan 0.000 0.490 308 C N 1.025 120.642 119.300 0.529 0.000 2.667 308 C HA 0.955 5.415 4.460 -0.000 0.000 0.323 308 C C -0.348 174.888 174.990 0.410 0.000 1.214 308 C CA -0.848 58.464 59.018 0.490 0.000 1.721 308 C CB 0.340 28.471 27.740 0.650 0.000 2.275 308 C HN 1.122 nan 8.230 nan 0.000 0.491 309 M N 1.331 121.042 119.600 0.184 0.000 2.470 309 M HA 0.704 5.184 4.480 -0.000 0.000 0.285 309 M C -0.484 175.536 176.300 -0.466 0.000 1.213 309 M CA -0.190 55.054 55.300 -0.092 0.000 0.901 309 M CB 2.075 34.633 32.600 -0.070 0.000 1.718 309 M HN 0.837 nan 8.290 nan 0.000 0.469 310 T N -0.834 113.300 114.554 -0.700 0.000 2.943 310 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 310 T C 0.815 175.181 174.700 -0.556 0.000 1.015 310 T CA -0.873 60.733 62.100 -0.823 0.000 1.042 310 T CB 1.530 69.734 68.868 -1.105 0.000 1.055 310 T HN 0.725 nan 8.240 nan 0.000 0.500 311 I N 0.795 121.022 120.570 -0.571 0.000 2.235 311 I HA 0.105 4.275 4.170 -0.000 0.000 0.241 311 I C -1.462 174.247 176.117 -0.680 0.000 1.085 311 I CA -0.190 60.784 61.300 -0.544 0.000 1.378 311 I CB -0.863 36.860 38.000 -0.461 0.000 1.076 311 I HN 0.473 nan 8.210 nan 0.000 0.415 312 P HA 0.020 nan 4.420 nan 0.000 0.289 312 P C 0.423 177.413 177.300 -0.517 0.000 1.299 312 P CA -0.003 62.602 63.100 -0.824 0.000 0.766 312 P CB 0.574 31.593 31.700 -1.133 0.000 1.226 313 E N 0.255 120.238 120.200 -0.363 0.000 2.038 313 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 313 E C 0.421 176.886 176.600 -0.225 0.000 1.000 313 E CA 1.790 58.056 56.400 -0.223 0.000 0.803 313 E CB -0.347 29.269 29.700 -0.140 0.000 0.750 313 E HN 0.314 nan 8.360 nan 0.000 0.448 314 N N 0.187 118.746 118.700 -0.234 0.000 2.700 314 N HA 0.092 4.831 4.740 -0.000 0.000 0.242 314 N C -2.006 173.440 175.510 -0.106 0.000 1.541 314 N CA -0.299 52.668 53.050 -0.138 0.000 0.764 314 N CB 0.485 38.977 38.487 0.008 0.000 1.319 314 N HN -0.026 nan 8.380 nan 0.000 0.518 315 Q N 0.742 120.369 119.800 -0.289 0.000 2.290 315 Q HA 0.281 4.621 4.340 -0.000 0.000 0.269 315 Q C -0.079 175.775 176.000 -0.242 0.000 1.016 315 Q CA -0.354 55.388 55.803 -0.103 0.000 0.754 315 Q CB 1.204 29.902 28.738 -0.067 0.000 1.247 315 Q HN 0.451 nan 8.270 nan 0.000 0.451 316 W N 1.691 122.943 121.300 -0.080 0.000 2.846 316 W HA 0.259 4.918 4.660 -0.000 0.000 0.273 316 W C 1.361 177.823 176.519 -0.094 0.000 1.081 316 W CA 0.465 57.630 57.345 -0.300 0.000 1.692 316 W CB -0.171 28.843 29.460 -0.743 0.000 1.106 316 W HN 0.649 nan 8.180 nan 0.000 0.577 317 G N -0.259 108.651 108.800 0.184 0.000 2.606 317 G HA2 0.077 4.037 3.960 -0.000 0.000 0.252 317 G HA3 0.077 4.037 3.960 -0.000 0.000 0.252 317 G C -1.341 173.869 174.900 0.516 0.000 1.206 317 G CA -0.584 44.756 45.100 0.401 0.000 0.861 317 G HN 0.061 nan 8.290 nan 0.000 0.561 318 Y N 1.196 121.807 120.300 0.518 0.000 2.721 318 Y HA 0.129 4.679 4.550 -0.000 0.000 0.329 318 Y C 0.440 176.588 175.900 0.414 0.000 1.211 318 Y CA 0.309 58.653 58.100 0.407 0.000 1.512 318 Y CB 0.125 38.779 38.460 0.324 0.000 1.249 318 Y HN 0.500 nan 8.280 nan 0.000 0.549 319 H N 7.021 125.923 119.070 -0.279 0.000 2.529 319 H HA 0.205 4.761 4.556 -0.000 0.000 0.348 319 H C 0.383 175.367 175.328 -0.572 0.000 1.079 319 H CA -0.525 55.432 56.048 -0.153 0.000 1.198 319 H CB 1.753 31.613 29.762 0.163 0.000 1.521 319 H HN 0.905 nan 8.280 nan 0.000 0.514 320 K N 2.087 122.361 120.400 -0.210 0.000 2.283 320 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 320 K C -0.140 176.509 176.600 0.082 0.000 1.048 320 K CA 1.071 57.327 56.287 -0.051 0.000 0.948 320 K CB 0.511 33.097 32.500 0.143 0.000 0.742 320 K HN 0.142 nan 8.250 nan 0.000 0.458 321 D N -0.285 120.333 120.400 0.364 0.000 2.408 321 D HA 0.089 4.728 4.640 -0.000 0.000 0.261 321 D C -0.716 175.749 176.300 0.276 0.000 1.190 321 D CA -0.755 53.407 54.000 0.269 0.000 0.910 321 D CB 0.232 41.184 40.800 0.254 0.000 1.097 321 D HN 0.130 nan 8.370 nan 0.000 0.522 322 W N 2.005 123.278 121.300 -0.046 0.000 3.077 322 W HA 0.022 4.682 4.660 -0.000 0.000 0.245 322 W C 2.125 178.579 176.519 -0.108 0.000 1.316 322 W CA 0.331 57.608 57.345 -0.114 0.000 1.537 322 W CB -0.574 28.821 29.460 -0.109 0.000 1.131 322 W HN 0.471 nan 8.180 nan 0.000 0.695 323 S N -0.818 114.958 115.700 0.126 0.000 2.555 323 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 323 S C 1.569 176.170 174.600 0.001 0.000 0.978 323 S CA 0.582 58.812 58.200 0.050 0.000 0.934 323 S CB -0.516 62.717 63.200 0.055 0.000 0.766 323 S HN 0.283 nan 8.310 nan 0.000 0.533 324 L N 1.683 122.889 121.223 -0.029 0.000 2.418 324 L HA 0.214 4.554 4.340 -0.000 0.000 0.218 324 L C 1.188 178.002 176.870 -0.094 0.000 1.125 324 L CA 0.364 55.165 54.840 -0.064 0.000 0.835 324 L CB -0.365 41.636 42.059 -0.097 0.000 0.953 324 L HN 0.543 nan 8.230 nan 0.000 0.454 325 S N -2.812 112.814 115.700 -0.125 0.000 2.671 325 S HA 0.336 4.806 4.470 -0.000 0.000 0.277 325 S C -1.037 173.496 174.600 -0.112 0.000 1.165 325 S CA -0.793 57.336 58.200 -0.117 0.000 0.822 325 S CB 1.226 64.324 63.200 -0.170 0.000 1.150 325 S HN 0.030 nan 8.310 nan 0.000 0.479 326 Y N 1.424 121.622 120.300 -0.170 0.000 2.526 326 Y HA 0.490 5.040 4.550 -0.000 0.000 0.330 326 Y C -0.544 175.215 175.900 -0.235 0.000 1.156 326 Y CA 0.056 58.059 58.100 -0.160 0.000 1.419 326 Y CB 0.496 38.879 38.460 -0.130 0.000 1.250 326 Y HN 0.559 nan 8.280 nan 0.000 0.540 327 V N 7.595 126.905 119.914 -1.006 0.000 2.370 327 V HA 0.250 4.370 4.120 -0.000 0.000 0.283 327 V C -0.299 175.224 176.094 -0.951 0.000 1.023 327 V CA -1.276 60.529 62.300 -0.825 0.000 0.857 327 V CB 1.271 32.785 31.823 -0.515 0.000 0.985 327 V HN 0.677 nan 8.190 nan 0.000 0.443 328 K N 2.693 122.772 120.400 -0.535 0.000 2.382 328 K HA 0.284 4.604 4.320 -0.000 0.000 0.275 328 K C 0.680 177.166 176.600 -0.190 0.000 1.009 328 K CA -0.096 56.043 56.287 -0.247 0.000 0.970 328 K CB 0.563 32.978 32.500 -0.142 0.000 0.934 328 K HN 0.883 nan 8.250 nan 0.000 0.479 329 T N -0.234 114.275 114.554 -0.075 0.000 2.849 329 T HA 0.153 4.503 4.350 -0.000 0.000 0.284 329 T C -1.869 172.808 174.700 -0.038 0.000 1.004 329 T CA -1.857 60.219 62.100 -0.040 0.000 1.021 329 T CB 1.047 69.924 68.868 0.014 0.000 1.013 329 T HN 0.231 nan 8.240 nan 0.000 0.527 330 P HA -0.031 nan 4.420 nan 0.000 0.216 330 P C 1.608 178.874 177.300 -0.058 0.000 1.153 330 P CA 0.992 64.074 63.100 -0.030 0.000 0.858 330 P CB -0.118 31.585 31.700 0.004 0.000 0.789 331 I N -0.512 120.038 120.570 -0.033 0.000 2.286 331 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 331 I C 2.280 178.379 176.117 -0.031 0.000 1.115 331 I CA 1.526 62.808 61.300 -0.030 0.000 1.392 331 I CB -0.632 37.388 38.000 0.033 0.000 1.065 331 I HN -0.003 nan 8.210 nan 0.000 0.418 332 E N 0.163 120.348 120.200 -0.026 0.000 2.110 332 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 332 E C 2.299 178.843 176.600 -0.093 0.000 0.988 332 E CA 1.371 57.745 56.400 -0.043 0.000 0.804 332 E CB 0.010 29.716 29.700 0.010 0.000 0.745 332 E HN 0.323 nan 8.360 nan 0.000 0.458 333 V N 1.097 120.950 119.914 -0.102 0.000 2.379 333 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 333 V C 2.184 178.184 176.094 -0.158 0.000 1.044 333 V CA 1.344 63.568 62.300 -0.127 0.000 1.036 333 V CB -0.336 31.413 31.823 -0.122 0.000 0.664 333 V HN 0.260 nan 8.190 nan 0.000 0.453 334 I N 0.328 120.787 120.570 -0.185 0.000 2.286 334 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 334 I C 2.491 178.454 176.117 -0.257 0.000 1.115 334 I CA 1.902 63.033 61.300 -0.283 0.000 1.392 334 I CB -0.472 37.211 38.000 -0.528 0.000 1.065 334 I HN 0.423 nan 8.210 nan 0.000 0.418 335 D N 1.229 121.446 120.400 -0.305 0.000 2.104 335 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 335 D C 2.292 178.329 176.300 -0.439 0.000 0.994 335 D CA 1.574 55.155 54.000 -0.697 0.000 0.830 335 D CB 0.099 40.528 40.800 -0.617 0.000 0.959 335 D HN 0.295 nan 8.370 nan 0.000 0.452 336 R N -0.066 120.281 120.500 -0.256 0.000 2.081 336 R HA -0.040 4.299 4.340 -0.000 0.000 0.235 336 R C 2.667 178.855 176.300 -0.187 0.000 1.131 336 R CA 0.812 56.799 56.100 -0.189 0.000 0.960 336 R CB -0.170 30.048 30.300 -0.136 0.000 0.856 336 R HN 0.297 nan 8.270 nan 0.000 0.436 337 I N -0.021 120.442 120.570 -0.179 0.000 2.127 337 I HA -0.292 3.877 4.170 -0.000 0.000 0.241 337 I C 2.129 178.149 176.117 -0.162 0.000 1.075 337 I CA 1.297 62.511 61.300 -0.144 0.000 1.334 337 I CB -0.269 37.657 38.000 -0.122 0.000 1.040 337 I HN -0.019 nan 8.210 nan 0.000 0.405 338 V N 0.109 119.898 119.914 -0.208 0.000 2.358 338 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 338 V C 2.407 178.235 176.094 -0.444 0.000 1.047 338 V CA 2.269 64.446 62.300 -0.205 0.000 1.035 338 V CB -1.039 30.778 31.823 -0.009 0.000 0.658 338 V HN 0.518 nan 8.190 nan 0.000 0.452 339 H N 0.366 118.871 119.070 -0.942 0.000 2.289 339 H HA -0.265 4.291 4.556 -0.000 0.000 0.294 339 H C 2.254 177.425 175.328 -0.261 0.000 1.095 339 H CA 1.823 57.333 56.048 -0.898 0.000 1.256 339 H CB 0.017 29.412 29.762 -0.611 0.000 1.359 339 H HN 0.421 nan 8.280 nan 0.000 0.487 340 A N 0.149 122.968 122.820 -0.002 0.000 1.865 340 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 340 A C 2.694 180.242 177.584 -0.059 0.000 1.191 340 A CA 1.853 53.899 52.037 0.015 0.000 0.623 340 A CB -0.981 17.933 19.000 -0.142 0.000 0.826 340 A HN 0.339 nan 8.150 nan 0.000 0.444 341 V N 1.104 120.968 119.914 -0.084 0.000 2.332 341 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 341 V C 2.964 179.106 176.094 0.079 0.000 1.055 341 V CA 2.403 64.679 62.300 -0.040 0.000 1.038 341 V CB -1.083 30.719 31.823 -0.034 0.000 0.651 341 V HN 0.841 nan 8.190 nan 0.000 0.450 342 S N -0.413 115.351 115.700 0.106 0.000 2.440 342 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 342 S C 1.561 176.380 174.600 0.365 0.000 1.010 342 S CA 1.575 59.912 58.200 0.229 0.000 0.972 342 S CB -0.440 62.892 63.200 0.220 0.000 0.774 342 S HN 0.600 nan 8.310 nan 0.000 0.501 343 M N 0.594 120.402 119.600 0.346 0.000 2.484 343 M HA 0.340 4.820 4.480 -0.000 0.000 0.307 343 M C 1.127 177.677 176.300 0.417 0.000 1.149 343 M CA 0.345 55.883 55.300 0.396 0.000 0.972 343 M CB 0.826 33.688 32.600 0.437 0.000 1.400 343 M HN 0.521 nan 8.290 nan 0.000 0.508 344 G N 0.770 109.716 108.800 0.243 0.000 2.137 344 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.237 344 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.237 344 G C 0.051 174.793 174.900 -0.265 0.000 1.002 344 G CA -0.099 45.069 45.100 0.115 0.000 0.702 344 G HN 0.628 nan 8.290 nan 0.000 0.515 345 G N -0.819 107.563 108.800 -0.697 0.000 2.537 345 G HA2 0.621 4.581 3.960 -0.000 0.000 0.308 345 G HA3 0.621 4.581 3.960 -0.000 0.000 0.308 345 G C -0.466 173.972 174.900 -0.769 0.000 1.237 345 G CA -0.735 43.412 45.100 -1.589 0.000 0.968 345 G HN 0.245 nan 8.290 nan 0.000 0.481 346 N N -0.635 117.739 118.700 -0.543 0.000 2.493 346 N HA 0.639 5.379 4.740 -0.000 0.000 0.275 346 N C -0.320 175.103 175.510 -0.145 0.000 1.186 346 N CA -0.323 52.593 53.050 -0.223 0.000 0.978 346 N CB 1.614 40.042 38.487 -0.097 0.000 1.184 346 N HN 0.460 nan 8.380 nan 0.000 0.487 347 M N 1.016 120.583 119.600 -0.056 0.000 2.327 347 M HA 0.503 4.983 4.480 -0.000 0.000 0.298 347 M C -2.002 174.284 176.300 -0.022 0.000 1.065 347 M CA -0.709 54.588 55.300 -0.005 0.000 0.916 347 M CB 1.596 34.169 32.600 -0.044 0.000 1.630 347 M HN 0.168 nan 8.290 nan 0.000 0.442 348 V N 5.384 125.324 119.914 0.042 0.000 2.444 348 V HA 0.598 4.718 4.120 -0.000 0.000 0.294 348 V C -0.770 175.371 176.094 0.078 0.000 1.022 348 V CA -0.888 61.410 62.300 -0.003 0.000 0.850 348 V CB 1.608 33.459 31.823 0.048 0.000 0.992 348 V HN 0.691 nan 8.190 nan 0.000 0.426 349 V N 4.289 124.213 119.914 0.017 0.000 2.407 349 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 349 V C 0.239 176.318 176.094 -0.026 0.000 1.037 349 V CA -0.507 61.761 62.300 -0.053 0.000 0.900 349 V CB 1.509 33.269 31.823 -0.104 0.000 0.983 349 V HN 0.958 nan 8.190 nan 0.000 0.459 350 N N 3.570 122.189 118.700 -0.135 0.000 2.518 350 N HA 0.523 5.263 4.740 -0.000 0.000 0.283 350 N C -1.263 174.070 175.510 -0.294 0.000 1.119 350 N CA -0.137 52.915 53.050 0.004 0.000 0.983 350 N CB 0.666 39.110 38.487 -0.073 0.000 1.139 350 N HN 0.403 nan 8.380 nan 0.000 0.465 351 F N 0.324 120.428 119.950 0.256 0.000 2.551 351 F HA 0.513 5.040 4.527 0.000 0.000 0.316 351 F C 0.876 176.896 175.800 0.366 0.000 1.089 351 F CA -0.952 57.223 58.000 0.291 0.000 0.915 351 F CB 2.479 41.654 39.000 0.291 0.000 1.186 351 F HN 0.535 nan 8.300 nan 0.000 0.456 352 G N 3.169 112.282 108.800 0.523 0.000 3.039 352 G HA2 0.542 4.502 3.960 -0.000 0.000 0.329 352 G HA3 0.542 4.502 3.960 -0.000 0.000 0.329 352 G C -3.065 172.048 174.900 0.356 0.000 1.361 352 G CA -1.645 43.754 45.100 0.497 0.000 1.088 352 G HN 0.199 nan 8.290 nan 0.000 0.501 353 P HA 0.020 nan 4.420 nan 0.000 0.268 353 P C 0.371 177.558 177.300 -0.188 0.000 1.208 353 P CA 0.090 62.835 63.100 -0.591 0.000 0.777 353 P CB 0.732 31.594 31.700 -1.398 0.000 0.875 354 Q N 0.783 120.386 119.800 -0.329 0.000 2.492 354 Q HA 0.231 4.570 4.340 -0.000 0.000 0.238 354 Q C 1.587 177.554 176.000 -0.056 0.000 1.045 354 Q CA -0.101 55.444 55.803 -0.429 0.000 0.934 354 Q CB 0.208 28.683 28.738 -0.437 0.000 1.276 354 Q HN 0.460 nan 8.270 nan 0.000 0.521 355 A N 1.655 124.379 122.820 -0.159 0.000 1.940 355 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 355 A C 1.428 178.930 177.584 -0.137 0.000 1.176 355 A CA 2.127 54.112 52.037 -0.088 0.000 0.631 355 A CB -0.629 18.278 19.000 -0.155 0.000 0.814 355 A HN 0.919 nan 8.150 nan 0.000 0.446 356 D N -2.004 118.323 120.400 -0.122 0.000 2.348 356 D HA 0.215 4.854 4.640 -0.000 0.000 0.216 356 D C 1.202 177.506 176.300 0.007 0.000 0.970 356 D CA 1.165 55.108 54.000 -0.095 0.000 0.889 356 D CB -0.668 40.082 40.800 -0.083 0.000 0.912 356 D HN 0.954 nan 8.370 nan 0.000 0.524 357 G N -0.150 108.709 108.800 0.098 0.000 2.144 357 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 357 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 357 G C -0.292 174.681 174.900 0.123 0.000 0.988 357 G CA 0.124 45.333 45.100 0.182 0.000 0.659 357 G HN 0.595 nan 8.290 nan 0.000 0.522 358 D N -0.700 119.658 120.400 -0.069 0.000 2.384 358 D HA 0.715 5.355 4.640 -0.000 0.000 0.250 358 D C -0.039 176.046 176.300 -0.358 0.000 1.029 358 D CA -0.723 53.220 54.000 -0.095 0.000 0.990 358 D CB 0.757 41.552 40.800 -0.008 0.000 1.175 358 D HN -0.036 nan 8.370 nan 0.000 0.532 359 F N 0.649 120.487 119.950 -0.187 0.000 2.399 359 F HA 0.362 4.888 4.527 -0.000 0.000 0.334 359 F C 1.184 176.930 175.800 -0.089 0.000 1.097 359 F CA -0.984 56.909 58.000 -0.178 0.000 1.076 359 F CB 0.961 39.813 39.000 -0.247 0.000 1.162 359 F HN 0.166 nan 8.300 nan 0.000 0.495 360 R N 2.941 123.510 120.500 0.114 0.000 2.734 360 R HA 0.153 4.493 4.340 -0.000 0.000 0.266 360 R C -2.264 174.049 176.300 0.023 0.000 1.044 360 R CA -1.026 55.093 56.100 0.032 0.000 1.128 360 R CB -0.273 29.989 30.300 -0.064 0.000 1.010 360 R HN 0.291 nan 8.270 nan 0.000 0.461 361 P HA -0.187 nan 4.420 nan 0.000 0.216 361 P C 0.471 177.780 177.300 0.014 0.000 1.153 361 P CA 1.540 64.643 63.100 0.005 0.000 0.858 361 P CB 0.115 31.813 31.700 -0.003 0.000 0.789 362 E N -0.382 119.807 120.200 -0.019 0.000 2.110 362 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 362 E C 1.961 178.637 176.600 0.126 0.000 0.988 362 E CA 1.106 57.540 56.400 0.056 0.000 0.804 362 E CB -0.620 29.137 29.700 0.096 0.000 0.745 362 E HN 0.435 nan 8.360 nan 0.000 0.458 363 E N 0.507 120.782 120.200 0.125 0.000 2.107 363 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 363 E C 1.838 178.565 176.600 0.213 0.000 0.982 363 E CA 0.665 57.233 56.400 0.280 0.000 0.809 363 E CB 0.042 30.009 29.700 0.445 0.000 0.756 363 E HN 0.143 nan 8.360 nan 0.000 0.459 364 K N 0.600 121.049 120.400 0.082 0.000 2.057 364 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 364 K C 2.176 178.791 176.600 0.025 0.000 1.049 364 K CA 1.098 57.382 56.287 -0.005 0.000 0.931 364 K CB -0.106 32.387 32.500 -0.011 0.000 0.714 364 K HN 0.027 nan 8.250 nan 0.000 0.440 365 A N 1.157 124.007 122.820 0.050 0.000 1.902 365 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 365 A C 2.109 179.733 177.584 0.065 0.000 1.181 365 A CA 1.580 53.647 52.037 0.050 0.000 0.623 365 A CB -0.414 18.616 19.000 0.050 0.000 0.818 365 A HN 0.255 nan 8.150 nan 0.000 0.443 366 M N 0.403 120.060 119.600 0.095 0.000 2.067 366 M HA -0.027 4.453 4.480 -0.000 0.000 0.260 366 M C 2.169 178.539 176.300 0.118 0.000 1.069 366 M CA 1.918 57.276 55.300 0.096 0.000 1.117 366 M CB -0.778 31.877 32.600 0.090 0.000 1.334 366 M HN 0.352 nan 8.290 nan 0.000 0.407 367 A N -1.291 121.626 122.820 0.163 0.000 1.933 367 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 367 A C 2.214 179.825 177.584 0.045 0.000 1.175 367 A CA 2.337 54.440 52.037 0.110 0.000 0.628 367 A CB -1.421 17.541 19.000 -0.064 0.000 0.814 367 A HN 0.600 nan 8.150 nan 0.000 0.444 368 T N 0.105 114.677 114.554 0.029 0.000 2.777 368 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 368 T C 2.250 176.987 174.700 0.061 0.000 1.040 368 T CA 1.488 63.605 62.100 0.028 0.000 1.141 368 T CB -0.415 68.462 68.868 0.016 0.000 0.868 368 T HN 0.590 nan 8.240 nan 0.000 0.444 369 A N 1.170 124.033 122.820 0.072 0.000 1.902 369 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 369 A C 2.283 179.946 177.584 0.132 0.000 1.181 369 A CA 1.175 53.268 52.037 0.094 0.000 0.623 369 A CB -0.790 18.255 19.000 0.074 0.000 0.818 369 A HN 0.510 nan 8.150 nan 0.000 0.443 370 I N -0.284 120.353 120.570 0.112 0.000 2.226 370 I HA -0.219 3.950 4.170 -0.000 0.000 0.245 370 I C 2.696 178.927 176.117 0.190 0.000 1.100 370 I CA 1.159 62.542 61.300 0.139 0.000 1.374 370 I CB -0.630 37.426 38.000 0.094 0.000 1.057 370 I HN 0.409 nan 8.210 nan 0.000 0.413 371 G N 0.791 109.670 108.800 0.133 0.000 2.418 371 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.217 371 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.217 371 G C 1.741 176.714 174.900 0.121 0.000 1.158 371 G CA 0.510 45.679 45.100 0.115 0.000 0.771 371 G HN 0.294 nan 8.290 nan 0.000 0.545 372 K N -0.767 119.708 120.400 0.125 0.000 2.026 372 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 372 K C 2.166 178.853 176.600 0.145 0.000 1.048 372 K CA 1.315 57.666 56.287 0.107 0.000 0.929 372 K CB -0.299 32.265 32.500 0.108 0.000 0.713 372 K HN 0.473 nan 8.250 nan 0.000 0.439 373 W N 1.381 122.723 121.300 0.071 0.000 2.381 373 W HA -0.160 4.499 4.660 -0.000 0.000 0.301 373 W C 2.009 178.605 176.519 0.128 0.000 1.205 373 W CA 1.137 58.569 57.345 0.145 0.000 1.285 373 W CB 0.046 29.599 29.460 0.155 0.000 1.133 373 W HN -0.050 nan 8.180 nan 0.000 0.521 374 M N 0.188 120.005 119.600 0.362 0.000 2.213 374 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 374 M C 1.751 178.082 176.300 0.052 0.000 1.062 374 M CA 1.730 57.157 55.300 0.212 0.000 1.105 374 M CB -1.985 30.762 32.600 0.246 0.000 1.385 374 M HN 0.196 nan 8.290 nan 0.000 0.417 375 N N 0.472 119.182 118.700 0.018 0.000 2.120 375 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 375 N C 1.812 177.209 175.510 -0.189 0.000 1.024 375 N CA 1.422 54.444 53.050 -0.046 0.000 0.852 375 N CB -0.031 38.431 38.487 -0.041 0.000 1.003 375 N HN 0.287 nan 8.380 nan 0.000 0.424 376 R N -1.766 118.517 120.500 -0.361 0.000 2.075 376 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 376 R C 0.772 176.542 176.300 -0.885 0.000 1.114 376 R CA 1.308 56.986 56.100 -0.704 0.000 0.972 376 R CB -0.027 29.657 30.300 -1.026 0.000 0.869 376 R HN 0.343 nan 8.270 nan 0.000 0.437 377 Y N -1.875 118.058 120.300 -0.611 0.000 2.500 377 Y HA 0.352 4.902 4.550 -0.000 0.000 0.246 377 Y C 1.724 177.307 175.900 -0.527 0.000 1.146 377 Y CA -0.042 57.604 58.100 -0.757 0.000 1.230 377 Y CB 0.493 37.998 38.460 -1.592 0.000 1.214 377 Y HN 0.139 nan 8.280 nan 0.000 0.526 378 G N 0.529 109.199 108.800 -0.217 0.000 2.499 378 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.221 378 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.221 378 G C 1.728 176.565 174.900 -0.105 0.000 1.109 378 G CA 0.977 45.993 45.100 -0.140 0.000 0.749 378 G HN 0.318 nan 8.290 nan 0.000 0.568 379 K N 0.327 120.649 120.400 -0.130 0.000 2.211 379 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 379 K C 2.491 178.786 176.600 -0.508 0.000 1.047 379 K CA 0.990 57.166 56.287 -0.186 0.000 0.935 379 K CB -0.152 32.249 32.500 -0.166 0.000 0.728 379 K HN 0.283 nan 8.250 nan 0.000 0.452 380 A N -0.237 122.202 122.820 -0.634 0.000 2.251 380 A HA 0.069 4.388 4.320 -0.000 0.000 0.209 380 A C 1.552 178.995 177.584 -0.235 0.000 1.187 380 A CA 0.403 52.006 52.037 -0.724 0.000 0.823 380 A CB 0.320 19.032 19.000 -0.480 0.000 0.846 380 A HN 0.113 nan 8.150 nan 0.000 0.486 381 V N -2.053 117.733 119.914 -0.214 0.000 2.950 381 V HA 0.112 4.232 4.120 -0.000 0.000 0.231 381 V C 0.460 176.457 176.094 -0.162 0.000 1.205 381 V CA -0.009 62.172 62.300 -0.199 0.000 1.239 381 V CB -0.846 30.787 31.823 -0.318 0.000 1.050 381 V HN 0.427 nan 8.190 nan 0.000 0.498 382 Y N 0.695 120.993 120.300 -0.002 0.000 2.511 382 Y HA 0.443 4.993 4.550 0.000 0.000 0.332 382 Y C 1.209 177.116 175.900 0.012 0.000 1.177 382 Y CA 0.044 58.145 58.100 0.002 0.000 1.422 382 Y CB -0.189 38.269 38.460 -0.004 0.000 1.271 382 Y HN 0.352 nan 8.280 nan 0.000 0.550 383 A N 0.348 123.275 122.820 0.179 0.000 2.816 383 A HA -0.260 4.060 4.320 -0.000 0.000 0.270 383 A C 0.187 177.840 177.584 0.114 0.000 1.413 383 A CA 0.753 52.863 52.037 0.122 0.000 0.866 383 A CB -2.187 16.881 19.000 0.113 0.000 1.032 383 A HN 0.670 nan 8.150 nan 0.000 0.642 384 C N -0.674 118.687 119.300 0.101 0.000 2.423 384 C HA 0.913 5.373 4.460 -0.000 0.000 0.378 384 C C 0.496 175.550 174.990 0.107 0.000 1.244 384 C CA -0.065 59.023 59.018 0.118 0.000 1.978 384 C CB 1.639 29.451 27.740 0.120 0.000 2.252 384 C HN 0.753 nan 8.230 nan 0.000 0.526 385 D N -2.166 118.314 120.400 0.133 0.000 2.768 385 D HA 0.206 4.846 4.640 -0.000 0.000 0.327 385 D C -1.506 174.917 176.300 0.205 0.000 1.302 385 D CA -0.442 53.650 54.000 0.153 0.000 0.897 385 D CB 0.822 41.712 40.800 0.150 0.000 1.420 385 D HN 0.478 nan 8.370 nan 0.000 0.494 386 Y N 1.137 121.504 120.300 0.112 0.000 2.717 386 Y HA 0.293 4.843 4.550 -0.000 0.000 0.330 386 Y C 0.780 176.751 175.900 0.119 0.000 1.217 386 Y CA 0.704 58.882 58.100 0.129 0.000 1.506 386 Y CB 0.799 39.334 38.460 0.126 0.000 1.268 386 Y HN 0.342 nan 8.280 nan 0.000 0.561 387 A N 4.419 126.996 122.820 -0.406 0.000 2.147 387 A HA 0.304 4.624 4.320 -0.000 0.000 0.211 387 A C 1.793 179.133 177.584 -0.407 0.000 1.160 387 A CA 0.547 52.377 52.037 -0.347 0.000 0.781 387 A CB -0.951 17.851 19.000 -0.331 0.000 0.842 387 A HN 1.811 nan 8.150 nan 0.000 0.475 388 G N -1.846 106.289 108.800 -1.108 0.000 2.143 388 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 388 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 388 G C -0.147 174.689 174.900 -0.107 0.000 0.991 388 G CA 0.364 45.123 45.100 -0.567 0.000 0.689 388 G HN 0.281 nan 8.290 nan 0.000 0.522 389 F N 1.039 120.727 119.950 -0.437 0.000 2.425 389 F HA 0.481 5.008 4.527 -0.000 0.000 0.331 389 F C 1.010 176.743 175.800 -0.113 0.000 1.085 389 F CA -1.552 56.227 58.000 -0.369 0.000 1.028 389 F CB 0.989 39.410 39.000 -0.964 0.000 1.177 389 F HN 0.092 nan 8.300 nan 0.000 0.487 390 E N 1.653 121.913 120.200 0.099 0.000 2.465 390 E HA -0.051 4.299 4.350 -0.000 0.000 0.260 390 E C -0.228 176.508 176.600 0.227 0.000 0.980 390 E CA -0.062 56.420 56.400 0.137 0.000 0.927 390 E CB 0.507 30.255 29.700 0.080 0.000 0.934 390 E HN 0.251 nan 8.360 nan 0.000 0.459 391 K N 3.269 123.751 120.400 0.138 0.000 2.489 391 K HA -0.071 4.249 4.320 -0.000 0.000 0.278 391 K C -0.398 176.115 176.600 -0.145 0.000 1.000 391 K CA 0.579 56.870 56.287 0.007 0.000 1.012 391 K CB 0.510 32.977 32.500 -0.055 0.000 0.903 391 K HN 0.263 nan 8.250 nan 0.000 0.485 392 Q N 2.519 122.035 119.800 -0.472 0.000 2.416 392 Q HA 0.209 4.548 4.340 -0.000 0.000 0.279 392 Q C -0.129 175.361 176.000 -0.849 0.000 1.101 392 Q CA -0.684 54.740 55.803 -0.631 0.000 0.830 392 Q CB 1.445 29.710 28.738 -0.787 0.000 1.402 392 Q HN 0.634 nan 8.270 nan 0.000 0.445 393 D N 0.410 120.467 120.400 -0.571 0.000 2.269 393 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 393 D C 1.632 177.721 176.300 -0.351 0.000 0.963 393 D CA 0.760 54.532 54.000 -0.380 0.000 0.864 393 D CB 0.158 40.861 40.800 -0.161 0.000 0.936 393 D HN 0.627 nan 8.370 nan 0.000 0.505 394 W N 0.987 122.189 121.300 -0.163 0.000 2.595 394 W HA 0.243 4.903 4.660 -0.000 0.000 0.257 394 W C 0.688 177.082 176.519 -0.208 0.000 1.267 394 W CA 0.581 57.825 57.345 -0.168 0.000 1.300 394 W CB -0.220 29.146 29.460 -0.157 0.000 1.120 394 W HN -0.026 nan 8.180 nan 0.000 0.618 395 G N 0.224 108.768 108.800 -0.426 0.000 2.534 395 G HA2 0.232 4.192 3.960 -0.000 0.000 0.142 395 G HA3 0.232 4.192 3.960 -0.000 0.000 0.142 395 G C -2.061 172.280 174.900 -0.930 0.000 1.178 395 G CA -0.946 43.904 45.100 -0.417 0.000 1.037 395 G HN 0.093 nan 8.290 nan 0.000 0.474 396 Y N -0.506 119.759 120.300 -0.059 0.000 2.499 396 Y HA 0.745 5.295 4.550 -0.000 0.000 0.347 396 Y C -0.682 175.228 175.900 0.016 0.000 0.987 396 Y CA -0.843 57.198 58.100 -0.098 0.000 1.044 396 Y CB 1.887 40.371 38.460 0.039 0.000 1.245 396 Y HN 0.528 nan 8.280 nan 0.000 0.461 397 Y N 0.527 120.982 120.300 0.258 0.000 2.352 397 Y HA 0.583 5.133 4.550 -0.000 0.000 0.326 397 Y C 0.517 176.514 175.900 0.162 0.000 1.166 397 Y CA -0.752 57.457 58.100 0.183 0.000 1.182 397 Y CB 1.839 40.289 38.460 -0.015 0.000 1.216 397 Y HN 0.587 nan 8.280 nan 0.000 0.474 398 T N 0.325 115.077 114.554 0.330 0.000 2.903 398 T HA 0.608 4.958 4.350 -0.000 0.000 0.299 398 T C -1.122 173.713 174.700 0.224 0.000 1.093 398 T CA -1.238 61.017 62.100 0.259 0.000 1.002 398 T CB 2.084 71.102 68.868 0.250 0.000 1.127 398 T HN 0.694 nan 8.240 nan 0.000 0.488 399 R N 0.810 121.404 120.500 0.156 0.000 2.437 399 R HA 0.647 4.987 4.340 -0.000 0.000 0.310 399 R C 0.498 176.897 176.300 0.165 0.000 0.955 399 R CA -0.526 55.626 56.100 0.087 0.000 0.851 399 R CB 1.171 31.478 30.300 0.011 0.000 1.161 399 R HN 0.992 nan 8.270 nan 0.000 0.446 400 G N 1.740 110.646 108.800 0.177 0.000 2.588 400 G HA2 0.109 4.069 3.960 -0.000 0.000 0.281 400 G HA3 0.109 4.069 3.960 -0.000 0.000 0.281 400 G C -0.026 174.941 174.900 0.112 0.000 1.236 400 G CA -0.536 44.694 45.100 0.217 0.000 0.969 400 G HN 0.672 nan 8.290 nan 0.000 0.504 401 K N -0.835 119.630 120.400 0.108 0.000 2.432 401 K HA 0.001 4.320 4.320 -0.000 0.000 0.196 401 K C 0.935 177.567 176.600 0.053 0.000 1.038 401 K CA 0.668 57.000 56.287 0.075 0.000 0.986 401 K CB 0.103 32.647 32.500 0.073 0.000 0.782 401 K HN 0.377 nan 8.250 nan 0.000 0.485 402 N N 0.746 119.473 118.700 0.046 0.000 2.273 402 N HA 0.013 4.753 4.740 -0.000 0.000 0.231 402 N C -1.071 174.437 175.510 -0.002 0.000 1.134 402 N CA -0.012 53.052 53.050 0.023 0.000 0.856 402 N CB 0.897 39.398 38.487 0.023 0.000 1.068 402 N HN -0.010 nan 8.380 nan 0.000 0.510 403 D N -0.117 120.280 120.400 -0.006 0.000 3.090 403 D HA -0.154 4.485 4.640 -0.000 0.000 0.215 403 D C -0.715 175.525 176.300 -0.100 0.000 1.140 403 D CA 0.956 54.936 54.000 -0.033 0.000 0.937 403 D CB -1.165 39.625 40.800 -0.016 0.000 1.108 403 D HN 0.412 nan 8.370 nan 0.000 0.420 404 E N -0.151 119.959 120.200 -0.151 0.000 2.414 404 E HA 0.291 4.641 4.350 -0.000 0.000 0.263 404 E C 0.181 176.515 176.600 -0.444 0.000 1.000 404 E CA 0.099 56.285 56.400 -0.356 0.000 0.914 404 E CB 0.931 30.314 29.700 -0.529 0.000 0.948 404 E HN -0.027 nan 8.360 nan 0.000 0.444 405 V N 4.334 123.960 119.914 -0.481 0.000 2.378 405 V HA 0.236 4.356 4.120 -0.000 0.000 0.288 405 V C -1.057 174.802 176.094 -0.392 0.000 1.016 405 V CA -0.756 61.304 62.300 -0.401 0.000 0.840 405 V CB 0.167 31.736 31.823 -0.424 0.000 0.994 405 V HN 0.552 nan 8.190 nan 0.000 0.431 406 Y N 4.450 124.756 120.300 0.010 0.000 2.342 406 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 406 Y C 0.412 176.366 175.900 0.090 0.000 1.067 406 Y CA -0.783 57.341 58.100 0.040 0.000 1.128 406 Y CB 1.495 39.987 38.460 0.055 0.000 1.200 406 Y HN 0.488 nan 8.280 nan 0.000 0.464 407 M N 3.988 123.676 119.600 0.148 0.000 2.088 407 M HA 0.422 4.902 4.480 -0.000 0.000 0.346 407 M C -1.180 175.125 176.300 0.009 0.000 1.111 407 M CA -0.666 54.637 55.300 0.004 0.000 1.017 407 M CB 0.940 33.278 32.600 -0.436 0.000 1.568 407 M HN 0.277 nan 8.290 nan 0.000 0.445 408 V N 4.835 124.859 119.914 0.184 0.000 2.333 408 V HA 0.316 4.436 4.120 -0.000 0.000 0.274 408 V C -0.110 176.020 176.094 0.060 0.000 1.028 408 V CA -0.791 61.564 62.300 0.091 0.000 0.851 408 V CB 1.211 33.220 31.823 0.310 0.000 1.000 408 V HN 0.582 nan 8.190 nan 0.000 0.456 409 V N 5.912 125.572 119.914 -0.422 0.000 2.350 409 V HA 0.361 4.481 4.120 -0.000 0.000 0.276 409 V C 0.234 176.022 176.094 -0.510 0.000 1.028 409 V CA 0.146 62.177 62.300 -0.449 0.000 0.860 409 V CB 0.867 32.038 31.823 -1.086 0.000 0.990 409 V HN 0.811 nan 8.190 nan 0.000 0.453 410 F N 1.673 121.567 119.950 -0.093 0.000 2.653 410 F HA 0.320 4.847 4.527 -0.000 0.000 0.288 410 F C 1.069 176.840 175.800 -0.048 0.000 1.121 410 F CA -0.024 57.938 58.000 -0.063 0.000 1.384 410 F CB 0.625 39.603 39.000 -0.036 0.000 1.115 410 F HN 0.427 nan 8.300 nan 0.000 0.599 411 N N 1.217 119.991 118.700 0.123 0.000 2.491 411 N HA 0.158 4.897 4.740 -0.000 0.000 0.274 411 N C -1.073 174.460 175.510 0.040 0.000 1.023 411 N CA -0.288 52.800 53.050 0.063 0.000 0.902 411 N CB 1.674 40.184 38.487 0.039 0.000 1.267 411 N HN 0.027 nan 8.380 nan 0.000 0.503 412 Q N 3.088 122.879 119.800 -0.016 0.000 2.314 412 Q HA 0.308 4.647 4.340 -0.000 0.000 0.257 412 Q C -2.297 173.615 176.000 -0.146 0.000 0.975 412 Q CA -1.217 54.560 55.803 -0.044 0.000 0.933 412 Q CB 0.734 29.445 28.738 -0.046 0.000 1.195 412 Q HN 0.333 nan 8.270 nan 0.000 0.426 413 P HA 0.013 nan 4.420 nan 0.000 0.276 413 P C -0.502 176.737 177.300 -0.102 0.000 1.235 413 P CA -0.031 63.039 63.100 -0.050 0.000 0.772 413 P CB 0.612 32.346 31.700 0.056 0.000 0.871 414 Y N 1.033 121.362 120.300 0.049 0.000 2.333 414 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 414 Y C 2.758 178.678 175.900 0.034 0.000 1.144 414 Y CA 2.006 60.129 58.100 0.037 0.000 1.228 414 Y CB -0.888 37.590 38.460 0.031 0.000 0.985 414 Y HN 0.416 nan 8.280 nan 0.000 0.542 415 S N -0.080 115.719 115.700 0.165 0.000 2.469 415 S HA -0.230 4.240 4.470 -0.000 0.000 0.238 415 S C 0.890 175.535 174.600 0.075 0.000 0.998 415 S CA 1.115 59.380 58.200 0.109 0.000 0.957 415 S CB -0.519 62.737 63.200 0.094 0.000 0.764 415 S HN 0.617 nan 8.310 nan 0.000 0.514 416 E N -0.705 119.530 120.200 0.058 0.000 3.170 416 E HA -0.205 4.145 4.350 -0.000 0.000 0.284 416 E C -0.213 176.400 176.600 0.021 0.000 0.967 416 E CA 0.679 57.097 56.400 0.030 0.000 0.919 416 E CB -1.323 28.395 29.700 0.030 0.000 1.469 416 E HN 0.649 nan 8.360 nan 0.000 0.444 417 R N 0.119 120.638 120.500 0.032 0.000 2.575 417 R HA 0.551 4.891 4.340 -0.000 0.000 0.293 417 R C -0.804 175.512 176.300 0.028 0.000 0.983 417 R CA -0.639 55.478 56.100 0.029 0.000 0.887 417 R CB 1.373 31.704 30.300 0.052 0.000 1.184 417 R HN -0.066 nan 8.270 nan 0.000 0.445 418 L N 4.789 125.988 121.223 -0.041 0.000 2.276 418 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 418 L C -0.187 176.716 176.870 0.056 0.000 1.024 418 L CA -0.527 54.221 54.840 -0.153 0.000 0.826 418 L CB 1.131 42.812 42.059 -0.629 0.000 1.211 418 L HN 0.463 nan 8.230 nan 0.000 0.422 419 I N 3.794 124.561 120.570 0.329 0.000 2.556 419 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 419 I C -0.199 176.237 176.117 0.533 0.000 1.114 419 I CA -0.100 61.415 61.300 0.357 0.000 1.418 419 I CB 1.058 39.232 38.000 0.290 0.000 1.394 419 I HN 0.241 nan 8.210 nan 0.000 0.552 420 V N 6.020 126.202 119.914 0.446 0.000 2.380 420 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 420 V C 0.302 176.668 176.094 0.455 0.000 1.015 420 V CA -0.756 61.885 62.300 0.569 0.000 0.834 420 V CB 1.230 33.359 31.823 0.511 0.000 1.009 420 V HN 0.773 nan 8.190 nan 0.000 0.428 421 K N 1.893 122.516 120.400 0.372 0.000 2.234 421 K HA 0.708 5.028 4.320 -0.000 0.000 0.277 421 K C 0.292 176.901 176.600 0.016 0.000 1.038 421 K CA -0.265 56.131 56.287 0.181 0.000 0.888 421 K CB 0.956 33.522 32.500 0.109 0.000 1.091 421 K HN 0.847 nan 8.250 nan 0.000 0.467 422 T N 0.851 115.372 114.554 -0.054 0.000 2.918 422 T HA 0.650 4.999 4.350 -0.000 0.000 0.283 422 T C -2.342 172.106 174.700 -0.420 0.000 1.001 422 T CA -1.897 59.952 62.100 -0.420 0.000 1.041 422 T CB 1.166 69.962 68.868 -0.121 0.000 1.028 422 T HN 0.379 nan 8.240 nan 0.000 0.511 423 P HA 0.360 nan 4.420 nan 0.000 0.272 423 P C -0.167 177.021 177.300 -0.187 0.000 1.240 423 P CA -0.431 62.468 63.100 -0.335 0.000 0.791 423 P CB -0.006 31.487 31.700 -0.345 0.000 0.978 424 K N 0.816 121.148 120.400 -0.114 0.000 2.484 424 K HA 0.370 4.690 4.320 -0.000 0.000 0.280 424 K C 1.300 177.868 176.600 -0.053 0.000 1.013 424 K CA 0.306 56.553 56.287 -0.066 0.000 1.029 424 K CB -1.582 30.892 32.500 -0.045 0.000 0.902 424 K HN 0.967 nan 8.250 nan 0.000 0.481 425 G N 0.449 109.230 108.800 -0.033 0.000 2.179 425 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.260 425 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.260 425 G C 0.099 174.991 174.900 -0.012 0.000 0.977 425 G CA 0.241 45.331 45.100 -0.017 0.000 0.641 425 G HN 0.746 nan 8.290 nan 0.000 0.533 426 I N 2.007 122.561 120.570 -0.027 0.000 2.404 426 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 426 I C 0.644 176.786 176.117 0.041 0.000 0.992 426 I CA -0.119 61.172 61.300 -0.015 0.000 1.149 426 I CB 1.265 39.217 38.000 -0.080 0.000 1.315 426 I HN 0.287 nan 8.210 nan 0.000 0.446 427 T N 2.610 117.197 114.554 0.055 0.000 2.887 427 T HA 0.671 5.021 4.350 -0.000 0.000 0.288 427 T C -0.403 174.266 174.700 -0.052 0.000 1.021 427 T CA -0.735 61.419 62.100 0.091 0.000 1.000 427 T CB 2.077 71.014 68.868 0.114 0.000 1.034 427 T HN 0.156 nan 8.240 nan 0.000 0.467 428 V N 2.726 122.446 119.914 -0.323 0.000 2.432 428 V HA 0.271 4.391 4.120 -0.000 0.000 0.271 428 V C 1.382 177.333 176.094 -0.240 0.000 1.046 428 V CA -0.168 61.899 62.300 -0.388 0.000 0.945 428 V CB 0.828 32.198 31.823 -0.756 0.000 0.992 428 V HN 1.137 nan 8.190 nan 0.000 0.471 429 E N 3.926 124.052 120.200 -0.123 0.000 2.216 429 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 429 E C 0.719 177.282 176.600 -0.061 0.000 0.973 429 E CA 0.348 56.710 56.400 -0.063 0.000 0.851 429 E CB 0.465 30.143 29.700 -0.037 0.000 0.804 429 E HN 0.558 nan 8.360 nan 0.000 0.477 430 K N -0.182 120.170 120.400 -0.079 0.000 2.562 430 K HA 0.505 4.825 4.320 -0.000 0.000 0.267 430 K C -2.109 174.448 176.600 -0.071 0.000 0.938 430 K CA -0.451 55.799 56.287 -0.060 0.000 0.840 430 K CB 2.008 34.482 32.500 -0.044 0.000 1.390 430 K HN 0.009 nan 8.250 nan 0.000 0.428 431 A N 1.862 124.649 122.820 -0.056 0.000 2.371 431 A HA 0.750 5.070 4.320 -0.000 0.000 0.311 431 A C -1.158 176.406 177.584 -0.034 0.000 1.068 431 A CA -0.497 51.509 52.037 -0.052 0.000 0.744 431 A CB 1.647 20.613 19.000 -0.055 0.000 1.239 431 A HN 0.554 nan 8.150 nan 0.000 0.435 432 T N 2.096 116.636 114.554 -0.024 0.000 2.916 432 T HA 0.435 4.785 4.350 -0.000 0.000 0.298 432 T C -0.782 173.926 174.700 0.013 0.000 1.031 432 T CA -0.405 61.690 62.100 -0.008 0.000 0.993 432 T CB 1.259 70.124 68.868 -0.005 0.000 1.045 432 T HN 0.627 nan 8.240 nan 0.000 0.454 433 L N 4.083 125.312 121.223 0.010 0.000 2.418 433 L HA 0.282 4.622 4.340 -0.000 0.000 0.274 433 L C 1.199 178.096 176.870 0.044 0.000 1.135 433 L CA -0.175 54.683 54.840 0.031 0.000 0.870 433 L CB 0.310 42.364 42.059 -0.007 0.000 1.154 433 L HN 0.684 nan 8.230 nan 0.000 0.462 434 L N 3.860 125.138 121.223 0.092 0.000 2.012 434 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 434 L C 2.295 179.169 176.870 0.007 0.000 1.073 434 L CA 2.577 57.466 54.840 0.080 0.000 0.748 434 L CB -0.664 41.471 42.059 0.126 0.000 0.891 434 L HN 0.972 nan 8.230 nan 0.000 0.431 435 T N -5.437 109.109 114.554 -0.013 0.000 2.985 435 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 435 T C 1.556 176.213 174.700 -0.072 0.000 1.076 435 T CA 1.276 63.317 62.100 -0.098 0.000 1.135 435 T CB -0.748 68.025 68.868 -0.159 0.000 0.890 435 T HN 0.531 nan 8.240 nan 0.000 0.480 436 T N -3.030 111.498 114.554 -0.044 0.000 2.971 436 T HA 0.491 4.841 4.350 -0.000 0.000 0.252 436 T C 1.928 176.610 174.700 -0.030 0.000 1.022 436 T CA 0.688 62.763 62.100 -0.042 0.000 0.980 436 T CB -0.177 68.665 68.868 -0.043 0.000 1.044 436 T HN 0.897 nan 8.240 nan 0.000 0.501 437 G N 2.537 111.325 108.800 -0.020 0.000 2.162 437 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 437 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 437 G C -0.115 174.776 174.900 -0.015 0.000 0.976 437 G CA 0.350 45.442 45.100 -0.013 0.000 0.655 437 G HN 1.091 nan 8.290 nan 0.000 0.533 438 E N 0.804 120.992 120.200 -0.020 0.000 2.373 438 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 438 E C -0.280 176.307 176.600 -0.020 0.000 1.032 438 E CA -0.291 56.095 56.400 -0.023 0.000 0.889 438 E CB 0.837 30.519 29.700 -0.030 0.000 0.984 438 E HN 0.163 nan 8.360 nan 0.000 0.425 439 D N 2.700 123.089 120.400 -0.019 0.000 2.414 439 D HA 0.126 4.766 4.640 -0.000 0.000 0.242 439 D C -0.637 175.650 176.300 -0.021 0.000 1.129 439 D CA -0.094 53.895 54.000 -0.019 0.000 0.885 439 D CB 0.551 41.342 40.800 -0.015 0.000 1.198 439 D HN 0.339 nan 8.370 nan 0.000 0.437 440 I N 2.859 123.415 120.570 -0.022 0.000 2.465 440 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 440 I C 0.269 176.375 176.117 -0.018 0.000 1.014 440 I CA -0.653 60.633 61.300 -0.024 0.000 1.093 440 I CB 1.663 39.645 38.000 -0.029 0.000 1.267 440 I HN 0.329 nan 8.210 nan 0.000 0.431 441 T N 5.480 120.027 114.554 -0.011 0.000 2.902 441 T HA 0.263 4.612 4.350 -0.000 0.000 0.301 441 T C 0.165 174.872 174.700 0.011 0.000 1.012 441 T CA -0.041 62.060 62.100 0.002 0.000 1.151 441 T CB 0.542 69.413 68.868 0.007 0.000 0.946 441 T HN 0.276 nan 8.240 nan 0.000 0.542 442 V N 4.774 124.704 119.914 0.027 0.000 2.409 442 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 442 V C -0.134 176.030 176.094 0.118 0.000 1.020 442 V CA -0.760 61.577 62.300 0.062 0.000 0.848 442 V CB 1.865 33.698 31.823 0.016 0.000 0.990 442 V HN 0.656 nan 8.190 nan 0.000 0.430 443 V N 3.917 123.925 119.914 0.157 0.000 2.487 443 V HA 0.377 4.496 4.120 -0.000 0.000 0.298 443 V C 0.101 176.297 176.094 0.170 0.000 1.028 443 V CA -0.684 61.699 62.300 0.138 0.000 0.860 443 V CB 1.837 33.706 31.823 0.076 0.000 0.991 443 V HN 0.972 nan 8.190 nan 0.000 0.427 444 E N 2.489 122.752 120.200 0.105 0.000 2.324 444 E HA 0.165 4.515 4.350 -0.000 0.000 0.271 444 E C 0.865 177.393 176.600 -0.120 0.000 1.028 444 E CA 0.390 56.699 56.400 -0.151 0.000 0.890 444 E CB 1.198 30.785 29.700 -0.188 0.000 1.004 444 E HN 0.900 nan 8.360 nan 0.000 0.431 445 T N 0.355 114.811 114.554 -0.163 0.000 3.038 445 T HA 0.132 4.482 4.350 -0.000 0.000 0.244 445 T C 0.869 175.515 174.700 -0.090 0.000 1.016 445 T CA 0.426 62.479 62.100 -0.080 0.000 1.098 445 T CB 0.653 69.502 68.868 -0.031 0.000 0.954 445 T HN 0.416 nan 8.240 nan 0.000 0.469 446 T N 0.134 114.604 114.554 -0.140 0.000 2.653 446 T HA 0.346 4.695 4.350 -0.000 0.000 0.306 446 T C -1.763 172.847 174.700 -0.150 0.000 1.426 446 T CA -0.925 61.109 62.100 -0.110 0.000 1.008 446 T CB 1.353 70.183 68.868 -0.062 0.000 1.692 446 T HN 0.310 nan 8.240 nan 0.000 0.483 447 R N 1.532 121.971 120.500 -0.101 0.000 2.480 447 R HA 0.089 4.428 4.340 -0.000 0.000 0.303 447 R C 0.118 176.355 176.300 -0.104 0.000 0.985 447 R CA 1.448 57.492 56.100 -0.094 0.000 1.051 447 R CB -0.899 29.368 30.300 -0.056 0.000 0.935 447 R HN 0.826 nan 8.270 nan 0.000 0.410 448 N N 1.561 120.186 118.700 -0.126 0.000 2.741 448 N HA -0.254 4.485 4.740 -0.000 0.000 0.250 448 N C -1.100 174.369 175.510 -0.068 0.000 1.115 448 N CA 1.305 54.313 53.050 -0.070 0.000 0.724 448 N CB -0.525 37.936 38.487 -0.043 0.000 1.090 448 N HN 0.745 nan 8.380 nan 0.000 0.558 449 E N -0.127 119.926 120.200 -0.245 0.000 2.308 449 E HA 0.492 4.842 4.350 -0.000 0.000 0.275 449 E C -1.473 174.910 176.600 -0.361 0.000 0.890 449 E CA -0.669 55.654 56.400 -0.129 0.000 0.754 449 E CB 1.245 30.918 29.700 -0.045 0.000 1.207 449 E HN 0.156 nan 8.360 nan 0.000 0.426 450 Y N 1.289 121.640 120.300 0.085 0.000 2.545 450 Y HA 0.411 4.961 4.550 -0.000 0.000 0.348 450 Y C -0.194 175.756 175.900 0.084 0.000 1.002 450 Y CA -1.196 56.950 58.100 0.076 0.000 1.039 450 Y CB 1.906 40.415 38.460 0.083 0.000 1.271 450 Y HN 0.401 nan 8.280 nan 0.000 0.467 451 N N 1.134 119.963 118.700 0.214 0.000 2.437 451 N HA 0.392 5.131 4.740 -0.000 0.000 0.259 451 N C -1.312 174.266 175.510 0.114 0.000 0.983 451 N CA -0.338 52.796 53.050 0.140 0.000 0.937 451 N CB 1.721 40.262 38.487 0.090 0.000 1.122 451 N HN 0.300 nan 8.380 nan 0.000 0.499 452 V N 1.862 121.812 119.914 0.060 0.000 2.407 452 V HA 0.261 4.381 4.120 -0.000 0.000 0.278 452 V C 0.579 176.653 176.094 -0.034 0.000 1.037 452 V CA -0.579 61.717 62.300 -0.006 0.000 0.900 452 V CB 1.167 32.946 31.823 -0.074 0.000 0.983 452 V HN 0.560 nan 8.190 nan 0.000 0.459 453 S N 3.483 119.172 115.700 -0.018 0.000 2.576 453 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 453 S C 0.231 174.811 174.600 -0.034 0.000 1.339 453 S CA -0.584 57.605 58.200 -0.018 0.000 1.039 453 S CB 1.417 64.611 63.200 -0.009 0.000 0.902 453 S HN 0.816 nan 8.310 nan 0.000 0.516 454 V N 0.841 120.740 119.914 -0.027 0.000 3.096 454 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 454 V C -2.512 173.540 176.094 -0.070 0.000 1.088 454 V CA -1.852 60.433 62.300 -0.024 0.000 1.129 454 V CB -0.852 30.967 31.823 -0.008 0.000 1.014 454 V HN 0.575 nan 8.190 nan 0.000 0.486 455 P HA 0.179 nan 4.420 nan 0.000 0.269 455 P C 0.553 177.781 177.300 -0.120 0.000 1.215 455 P CA -0.293 62.714 63.100 -0.156 0.000 0.780 455 P CB 0.489 32.026 31.700 -0.272 0.000 0.898 456 K N 1.464 121.813 120.400 -0.086 0.000 2.113 456 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 456 K C 0.007 176.566 176.600 -0.068 0.000 1.047 456 K CA 1.564 57.814 56.287 -0.062 0.000 0.928 456 K CB -0.017 32.456 32.500 -0.046 0.000 0.716 456 K HN 0.309 nan 8.250 nan 0.000 0.446 457 K N 1.284 121.630 120.400 -0.090 0.000 2.206 457 K HA 0.140 4.460 4.320 -0.000 0.000 0.264 457 K C -0.789 175.729 176.600 -0.138 0.000 0.967 457 K CA -0.736 55.497 56.287 -0.089 0.000 0.844 457 K CB 1.479 33.935 32.500 -0.073 0.000 1.099 457 K HN -0.007 nan 8.250 nan 0.000 0.441 458 N N 3.552 122.184 118.700 -0.114 0.000 2.434 458 N HA 0.017 4.757 4.740 -0.000 0.000 0.268 458 N C -1.765 173.659 175.510 -0.143 0.000 1.256 458 N CA -1.247 51.720 53.050 -0.139 0.000 0.914 458 N CB 0.887 39.334 38.487 -0.067 0.000 1.088 458 N HN 0.349 nan 8.380 nan 0.000 0.478 459 P HA 0.050 nan 4.420 nan 0.000 0.222 459 P C 0.569 177.863 177.300 -0.010 0.000 1.147 459 P CA 0.963 63.971 63.100 -0.153 0.000 0.790 459 P CB 0.077 31.604 31.700 -0.288 0.000 0.780 460 G N -0.296 108.510 108.800 0.010 0.000 2.162 460 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 460 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 460 G C -0.079 174.876 174.900 0.091 0.000 0.976 460 G CA 0.493 45.621 45.100 0.048 0.000 0.655 460 G HN 0.575 nan 8.290 nan 0.000 0.533 461 E N -1.577 118.703 120.200 0.134 0.000 2.416 461 E HA 0.570 4.920 4.350 -0.000 0.000 0.280 461 E C -3.322 173.365 176.600 0.146 0.000 1.055 461 E CA -2.389 54.108 56.400 0.161 0.000 0.825 461 E CB 0.780 30.629 29.700 0.249 0.000 1.312 461 E HN 0.016 nan 8.360 nan 0.000 0.452 462 P HA 0.044 nan 4.420 nan 0.000 0.262 462 P C -1.408 175.738 177.300 -0.257 0.000 1.182 462 P CA 0.555 63.466 63.100 -0.315 0.000 0.761 462 P CB -0.192 31.038 31.700 -0.783 0.000 0.795 463 Y N 0.353 120.366 120.300 -0.477 0.000 2.638 463 Y HA 0.776 5.326 4.550 -0.000 0.000 0.339 463 Y C -1.438 174.216 175.900 -0.411 0.000 1.084 463 Y CA -1.587 56.141 58.100 -0.619 0.000 1.068 463 Y CB 0.863 39.185 38.460 -0.231 0.000 1.294 463 Y HN 0.017 nan 8.280 nan 0.000 0.480 464 V N 3.318 123.197 119.914 -0.057 0.000 2.448 464 V HA 0.442 4.561 4.120 -0.000 0.000 0.295 464 V C -0.412 175.778 176.094 0.160 0.000 1.025 464 V CA -0.771 61.545 62.300 0.027 0.000 0.859 464 V CB 1.478 33.351 31.823 0.084 0.000 0.988 464 V HN 0.685 nan 8.190 nan 0.000 0.431 465 I N 4.149 124.765 120.570 0.077 0.000 2.354 465 I HA 0.420 4.589 4.170 -0.000 0.000 0.292 465 I C 0.002 176.162 176.117 0.072 0.000 0.989 465 I CA -0.320 61.017 61.300 0.062 0.000 1.188 465 I CB 1.691 39.678 38.000 -0.022 0.000 1.342 465 I HN 0.633 nan 8.210 nan 0.000 0.457 466 Q N 7.035 126.880 119.800 0.074 0.000 2.278 466 Q HA 0.517 4.856 4.340 -0.000 0.000 0.257 466 Q C -1.508 174.436 176.000 -0.093 0.000 0.928 466 Q CA -0.619 55.175 55.803 -0.014 0.000 0.932 466 Q CB 1.265 30.019 28.738 0.027 0.000 1.221 466 Q HN 0.612 nan 8.270 nan 0.000 0.434 467 L N 3.753 124.882 121.223 -0.158 0.000 2.307 467 L HA 0.467 4.806 4.340 -0.000 0.000 0.282 467 L C -0.050 176.729 176.870 -0.152 0.000 1.051 467 L CA -0.620 54.138 54.840 -0.137 0.000 0.804 467 L CB 1.364 43.348 42.059 -0.125 0.000 1.197 467 L HN 0.542 nan 8.230 nan 0.000 0.431 468 K N 3.298 123.632 120.400 -0.110 0.000 2.248 468 K HA 0.487 4.807 4.320 -0.000 0.000 0.281 468 K C -0.761 175.792 176.600 -0.078 0.000 1.054 468 K CA -0.510 55.722 56.287 -0.091 0.000 0.903 468 K CB 1.203 33.664 32.500 -0.066 0.000 1.077 468 K HN 0.484 nan 8.250 nan 0.000 0.474 469 V N -0.047 119.831 119.914 -0.059 0.000 2.919 469 V HA 0.982 5.102 4.120 -0.000 0.000 0.316 469 V C -0.636 175.453 176.094 -0.009 0.000 1.077 469 V CA -0.822 61.466 62.300 -0.021 0.000 0.977 469 V CB 1.471 33.321 31.823 0.044 0.000 1.039 469 V HN 0.893 nan 8.190 nan 0.000 0.441 470 R N 1.192 121.694 120.500 0.004 0.000 2.707 470 R HA 0.945 5.285 4.340 -0.000 0.000 0.272 470 R C 0.173 176.482 176.300 0.014 0.000 1.011 470 R CA -0.326 55.778 56.100 0.006 0.000 0.893 470 R CB 0.931 31.232 30.300 0.003 0.000 1.233 470 R HN 2.452 nan 8.270 nan 0.000 0.464 471 A N 0.000 122.827 122.820 0.012 0.000 2.254 471 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 471 A CA 0.000 52.044 52.037 0.011 0.000 0.836 471 A CB 0.000 19.006 19.000 0.010 0.000 0.831 471 A HN 0.000 nan 8.150 nan 0.000 0.486