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 1hjx_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.896 175.900 -0.007 0.000 1.272 22 Y CA 0.000 58.097 58.100 -0.004 0.000 1.940 22 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 23 K N 1.533 122.013 120.400 0.134 0.000 2.123 23 K HA 0.717 5.037 4.320 0.000 0.000 0.259 23 K C -1.589 175.029 176.600 0.031 0.000 0.960 23 K CA -1.064 55.238 56.287 0.025 0.000 0.872 23 K CB 2.031 34.394 32.500 -0.229 0.000 1.079 23 K HN 0.423 nan 8.250 nan 0.000 0.440 24 L N 3.081 124.331 121.223 0.044 0.000 2.442 24 L HA 0.273 4.613 4.340 0.000 0.000 0.261 24 L C -1.458 175.428 176.870 0.027 0.000 1.000 24 L CA -0.616 54.245 54.840 0.035 0.000 0.882 24 L CB 1.450 43.537 42.059 0.047 0.000 1.207 24 L HN 0.289 nan 8.230 nan 0.000 0.443 25 V N 3.932 123.834 119.914 -0.021 0.000 2.383 25 V HA 0.470 4.590 4.120 0.000 0.000 0.275 25 V C -0.113 176.007 176.094 0.044 0.000 1.036 25 V CA -0.309 61.973 62.300 -0.030 0.000 0.889 25 V CB 1.096 32.847 31.823 -0.120 0.000 0.985 25 V HN 0.837 nan 8.190 nan 0.000 0.459 26 c N 4.802 123.400 118.600 -0.003 0.000 2.498 26 c HA 0.615 5.185 4.570 0.000 0.000 0.316 26 c C -0.430 173.611 174.090 -0.081 0.000 1.209 26 c CA -1.240 55.098 56.329 0.014 0.000 1.518 26 c CB 0.845 43.344 42.510 -0.018 0.000 2.147 26 c HN 0.767 nan 8.230 nan 0.000 0.483 27 Y N 1.146 121.396 120.300 -0.083 0.000 2.323 27 Y HA 0.466 5.016 4.550 0.000 0.000 0.331 27 Y C -0.088 175.578 175.900 -0.389 0.000 1.092 27 Y CA -0.031 57.914 58.100 -0.257 0.000 1.150 27 Y CB 0.784 38.938 38.460 -0.510 0.000 1.200 27 Y HN 0.716 nan 8.280 nan 0.000 0.472 28 Y N 2.947 123.045 120.300 -0.336 0.000 2.350 28 Y HA 0.465 5.015 4.550 0.000 0.000 0.338 28 Y C -0.475 175.001 175.900 -0.706 0.000 0.961 28 Y CA -1.219 56.604 58.100 -0.462 0.000 1.100 28 Y CB 1.249 39.517 38.460 -0.320 0.000 1.179 28 Y HN 0.628 nan 8.280 nan 0.000 0.454 29 T N 1.418 114.897 114.554 -1.793 0.000 2.767 29 T HA 0.269 4.619 4.350 0.000 0.000 0.284 29 T C 0.893 174.430 174.700 -1.939 0.000 0.973 29 T CA -0.134 60.825 62.100 -1.902 0.000 0.996 29 T CB 1.270 68.713 68.868 -2.375 0.000 0.927 29 T HN 0.739 nan 8.240 nan 0.000 0.456 30 S N 1.816 116.765 115.700 -1.251 0.000 2.515 30 S HA -0.084 4.386 4.470 0.000 0.000 0.231 30 S C 1.437 175.835 174.600 -0.337 0.000 0.987 30 S CA 0.216 58.011 58.200 -0.675 0.000 0.936 30 S CB -0.890 62.160 63.200 -0.249 0.000 0.766 30 S HN 1.005 nan 8.310 nan 0.000 0.528 31 W N 2.399 123.564 121.300 -0.226 0.000 3.047 31 W HA 0.326 4.986 4.660 0.000 0.000 0.250 31 W C 1.732 178.212 176.519 -0.065 0.000 1.314 31 W CA 0.169 57.533 57.345 0.030 0.000 1.540 31 W CB -0.798 28.759 29.460 0.161 0.000 1.127 31 W HN 0.299 nan 8.180 nan 0.000 0.679 32 S N 1.063 116.408 115.700 -0.591 0.000 2.515 32 S HA -0.258 4.212 4.470 0.000 0.000 0.231 32 S C 1.764 176.167 174.600 -0.328 0.000 0.987 32 S CA 1.040 58.990 58.200 -0.416 0.000 0.936 32 S CB -0.818 62.020 63.200 -0.604 0.000 0.766 32 S HN 0.707 nan 8.310 nan 0.000 0.528 33 Q N 0.008 119.480 119.800 -0.547 0.000 2.224 33 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 33 Q C 1.068 176.827 176.000 -0.401 0.000 0.970 33 Q CA 1.222 56.529 55.803 -0.827 0.000 0.865 33 Q CB -0.806 27.131 28.738 -1.335 0.000 0.922 33 Q HN 0.684 nan 8.270 nan 0.000 0.445 34 Y N 1.097 121.430 120.300 0.056 0.000 2.546 34 Y HA 0.208 4.758 4.550 0.000 0.000 0.287 34 Y C 0.556 176.567 175.900 0.185 0.000 1.158 34 Y CA -0.302 57.898 58.100 0.166 0.000 1.307 34 Y CB 0.058 38.638 38.460 0.199 0.000 1.036 34 Y HN -0.027 nan 8.280 nan 0.000 0.532 35 R N 1.651 122.322 120.500 0.285 0.000 2.623 35 R HA 0.036 4.376 4.340 0.000 0.000 0.271 35 R C 0.210 176.711 176.300 0.334 0.000 1.043 35 R CA -0.132 56.157 56.100 0.315 0.000 1.083 35 R CB 0.353 30.847 30.300 0.324 0.000 0.974 35 R HN 0.313 nan 8.270 nan 0.000 0.436 36 E N 0.880 121.284 120.200 0.340 0.000 2.442 36 E HA -0.020 4.331 4.350 0.000 0.000 0.262 36 E C 1.085 177.936 176.600 0.420 0.000 1.004 36 E CA 0.627 57.213 56.400 0.311 0.000 0.928 36 E CB 0.535 30.352 29.700 0.196 0.000 0.937 36 E HN 0.757 nan 8.360 nan 0.000 0.446 37 G N 4.038 113.029 108.800 0.318 0.000 2.698 37 G HA2 -0.419 3.541 3.960 0.000 0.000 0.337 37 G HA3 -0.419 3.541 3.960 0.000 0.000 0.337 37 G C 0.572 175.638 174.900 0.277 0.000 1.286 37 G CA 0.680 45.963 45.100 0.304 0.000 1.000 37 G HN 0.713 nan 8.290 nan 0.000 0.547 38 D N 1.610 122.157 120.400 0.244 0.000 2.392 38 D HA 0.124 4.764 4.640 0.000 0.000 0.228 38 D C 2.248 178.462 176.300 -0.144 0.000 1.003 38 D CA 1.365 55.386 54.000 0.034 0.000 0.917 38 D CB -0.712 40.077 40.800 -0.019 0.000 0.890 38 D HN 0.575 nan 8.370 nan 0.000 0.532 39 G N -0.291 108.491 108.800 -0.031 0.000 2.683 39 G HA2 -0.084 3.876 3.960 0.000 0.000 0.213 39 G HA3 -0.084 3.876 3.960 0.000 0.000 0.213 39 G C 0.743 175.811 174.900 0.280 0.000 1.142 39 G CA -0.105 44.997 45.100 0.003 0.000 0.793 39 G HN 0.221 nan 8.290 nan 0.000 0.534 40 S N -0.154 115.716 115.700 0.283 0.000 2.516 40 S HA 0.271 4.741 4.470 0.000 0.000 0.282 40 S C -0.237 174.480 174.600 0.194 0.000 1.286 40 S CA -0.424 57.910 58.200 0.223 0.000 1.066 40 S CB 0.121 63.508 63.200 0.311 0.000 0.884 40 S HN 0.294 nan 8.310 nan 0.000 0.491 41 C N 7.174 126.410 119.300 -0.106 0.000 2.396 41 C HA 0.780 5.240 4.460 0.000 0.000 0.321 41 C C -1.021 173.835 174.990 -0.223 0.000 1.233 41 C CA -0.839 57.999 59.018 -0.300 0.000 1.440 41 C CB -0.728 26.533 27.740 -0.799 0.000 2.110 41 C HN 0.883 nan 8.230 nan 0.000 0.473 42 F N 5.009 124.901 119.950 -0.097 0.000 2.575 42 F HA 0.486 5.013 4.527 0.000 0.000 0.330 42 F C -1.503 174.090 175.800 -0.345 0.000 1.056 42 F CA -1.937 55.986 58.000 -0.129 0.000 0.964 42 F CB 1.511 40.463 39.000 -0.080 0.000 1.258 42 F HN 0.346 nan 8.300 nan 0.000 0.484 43 P HA -0.165 nan 4.420 nan 0.000 0.221 43 P C 0.630 177.821 177.300 -0.182 0.000 1.145 43 P CA 1.379 64.196 63.100 -0.472 0.000 0.795 43 P CB -0.022 31.444 31.700 -0.390 0.000 0.775 44 D N -0.939 119.427 120.400 -0.057 0.000 2.378 44 D HA -0.034 4.606 4.640 0.000 0.000 0.227 44 D C 1.361 177.675 176.300 0.022 0.000 1.012 44 D CA 0.535 54.518 54.000 -0.029 0.000 0.905 44 D CB -0.920 39.864 40.800 -0.026 0.000 0.895 44 D HN 0.098 nan 8.370 nan 0.000 0.532 45 A N 0.064 122.919 122.820 0.059 0.000 2.275 45 A HA 0.273 4.593 4.320 0.000 0.000 0.212 45 A C 0.867 178.605 177.584 0.257 0.000 1.201 45 A CA -0.297 51.840 52.037 0.166 0.000 0.843 45 A CB -0.274 18.861 19.000 0.225 0.000 0.873 45 A HN 0.242 nan 8.150 nan 0.000 0.492 46 L N 0.380 121.668 121.223 0.109 0.000 2.334 46 L HA 0.276 4.616 4.340 0.000 0.000 0.277 46 L C -0.276 176.577 176.870 -0.029 0.000 1.075 46 L CA -0.835 54.037 54.840 0.054 0.000 0.804 46 L CB 0.883 42.864 42.059 -0.130 0.000 1.174 46 L HN 0.098 nan 8.230 nan 0.000 0.438 47 D N 2.141 122.458 120.400 -0.139 0.000 2.336 47 D HA 0.041 4.681 4.640 0.000 0.000 0.249 47 D C 1.288 177.459 176.300 -0.214 0.000 1.213 47 D CA -0.334 53.602 54.000 -0.107 0.000 0.870 47 D CB 0.924 41.674 40.800 -0.084 0.000 1.076 47 D HN 0.507 nan 8.370 nan 0.000 0.483 48 R N 2.802 123.126 120.500 -0.293 0.000 2.193 48 R HA -0.114 4.226 4.340 0.000 0.000 0.229 48 R C 0.682 176.661 176.300 -0.536 0.000 1.110 48 R CA 1.158 56.977 56.100 -0.468 0.000 0.988 48 R CB -0.336 29.576 30.300 -0.647 0.000 0.871 48 R HN 0.280 nan 8.270 nan 0.000 0.458 49 F N 0.046 119.959 119.950 -0.063 0.000 2.695 49 F HA 0.214 4.741 4.527 0.000 0.000 0.303 49 F C 1.482 177.246 175.800 -0.060 0.000 1.091 49 F CA -0.640 57.330 58.000 -0.051 0.000 1.300 49 F CB 0.191 39.174 39.000 -0.028 0.000 1.071 49 F HN -0.023 nan 8.300 nan 0.000 0.578 50 L N -0.539 120.685 121.223 0.002 0.000 2.044 50 L HA 0.032 4.372 4.340 0.000 0.000 0.205 50 L C 0.804 177.649 176.870 -0.040 0.000 1.075 50 L CA 1.346 56.156 54.840 -0.050 0.000 0.747 50 L CB -0.151 41.769 42.059 -0.232 0.000 0.903 50 L HN 0.066 nan 8.230 nan 0.000 0.435 51 c N -1.608 116.951 118.600 -0.068 0.000 2.505 51 c HA 0.497 5.067 4.570 0.000 0.000 0.358 51 c C 1.919 176.002 174.090 -0.012 0.000 1.226 51 c CA 0.041 56.352 56.329 -0.030 0.000 1.900 51 c CB 1.414 43.894 42.510 -0.049 0.000 2.306 51 c HN 0.580 nan 8.230 nan 0.000 0.512 52 T N -2.199 112.375 114.554 0.035 0.000 3.044 52 T HA 0.112 4.462 4.350 0.000 0.000 0.255 52 T C 0.084 174.700 174.700 -0.141 0.000 1.073 52 T CA 0.944 63.041 62.100 -0.004 0.000 1.125 52 T CB -0.192 68.739 68.868 0.106 0.000 0.908 52 T HN 0.788 nan 8.240 nan 0.000 0.480 53 H N -0.406 118.628 119.070 -0.059 0.000 2.856 53 H HA 0.663 5.219 4.556 0.000 0.000 0.355 53 H C -1.205 174.093 175.328 -0.050 0.000 1.079 53 H CA -0.919 55.107 56.048 -0.037 0.000 1.240 53 H CB 1.485 31.227 29.762 -0.034 0.000 1.701 53 H HN 0.169 nan 8.280 nan 0.000 0.527 54 I N 4.007 124.620 120.570 0.070 0.000 2.433 54 I HA 0.361 4.531 4.170 0.000 0.000 0.292 54 I C -0.454 175.690 176.117 0.046 0.000 1.001 54 I CA -0.555 60.754 61.300 0.014 0.000 1.119 54 I CB 1.557 39.552 38.000 -0.008 0.000 1.289 54 I HN 0.395 nan 8.210 nan 0.000 0.438 55 I N 6.079 126.596 120.570 -0.089 0.000 2.378 55 I HA 0.246 4.416 4.170 0.000 0.000 0.291 55 I C -0.916 175.210 176.117 0.014 0.000 0.992 55 I CA -0.818 60.414 61.300 -0.112 0.000 1.154 55 I CB 1.532 39.193 38.000 -0.566 0.000 1.315 55 I HN 0.488 nan 8.210 nan 0.000 0.448 56 Y N 5.557 125.887 120.300 0.050 0.000 2.350 56 Y HA 0.338 4.888 4.550 0.000 0.000 0.340 56 Y C -0.099 175.797 175.900 -0.007 0.000 1.006 56 Y CA 0.123 58.298 58.100 0.125 0.000 1.166 56 Y CB 1.067 39.719 38.460 0.319 0.000 1.168 56 Y HN 0.511 nan 8.280 nan 0.000 0.502 57 S N 6.548 121.992 115.700 -0.427 0.000 2.502 57 S HA 0.626 5.096 4.470 0.000 0.000 0.304 57 S C -1.405 172.878 174.600 -0.528 0.000 1.097 57 S CA -0.490 57.296 58.200 -0.690 0.000 1.045 57 S CB 0.676 63.097 63.200 -1.297 0.000 1.019 57 S HN 0.535 nan 8.310 nan 0.000 0.481 58 F N 0.935 120.958 119.950 0.122 0.000 2.620 58 F HA 0.782 5.309 4.527 0.000 0.000 0.320 58 F C 0.368 176.332 175.800 0.273 0.000 1.069 58 F CA -0.948 57.141 58.000 0.148 0.000 0.953 58 F CB 1.359 40.329 39.000 -0.051 0.000 1.322 58 F HN 0.620 nan 8.300 nan 0.000 0.479 59 A N 1.254 124.394 122.820 0.534 0.000 2.281 59 A HA 0.657 4.977 4.320 0.000 0.000 0.329 59 A C -0.668 177.261 177.584 0.576 0.000 1.122 59 A CA -0.492 51.854 52.037 0.516 0.000 0.850 59 A CB 0.957 20.147 19.000 0.316 0.000 1.207 59 A HN 0.702 nan 8.150 nan 0.000 0.495 60 N N -0.793 118.259 118.700 0.586 0.000 2.530 60 N HA 0.664 5.404 4.740 0.000 0.000 0.283 60 N C -1.219 174.461 175.510 0.282 0.000 1.238 60 N CA -0.540 52.853 53.050 0.572 0.000 0.971 60 N CB 0.869 39.564 38.487 0.348 0.000 1.195 60 N HN 0.483 nan 8.380 nan 0.000 0.583 61 I N 0.588 121.272 120.570 0.190 0.000 2.497 61 I HA 0.265 4.435 4.170 0.000 0.000 0.284 61 I C -0.915 175.155 176.117 -0.078 0.000 1.060 61 I CA -0.398 60.900 61.300 -0.004 0.000 1.071 61 I CB 1.717 39.574 38.000 -0.237 0.000 1.216 61 I HN 0.240 nan 8.210 nan 0.000 0.442 62 S N 4.163 119.847 115.700 -0.026 0.000 2.521 62 S HA 0.355 4.825 4.470 0.000 0.000 0.295 62 S C 0.298 174.914 174.600 0.027 0.000 1.098 62 S CA -0.579 57.591 58.200 -0.051 0.000 0.999 62 S CB 1.526 64.693 63.200 -0.054 0.000 1.034 62 S HN 0.772 nan 8.310 nan 0.000 0.483 63 N N 2.182 120.887 118.700 0.008 0.000 2.725 63 N HA -0.187 4.553 4.740 0.000 0.000 0.249 63 N C -0.541 175.077 175.510 0.179 0.000 1.103 63 N CA 1.307 54.402 53.050 0.075 0.000 0.707 63 N CB -1.392 37.141 38.487 0.076 0.000 1.043 63 N HN 0.753 nan 8.380 nan 0.000 0.553 64 D N -3.203 117.234 120.400 0.062 0.000 3.077 64 D HA -0.237 4.403 4.640 0.000 0.000 0.217 64 D C -0.564 175.766 176.300 0.049 0.000 1.162 64 D CA 1.518 55.526 54.000 0.013 0.000 0.943 64 D CB -1.535 39.254 40.800 -0.018 0.000 1.122 64 D HN 0.757 nan 8.370 nan 0.000 0.413 65 H N -0.472 118.642 119.070 0.072 0.000 2.524 65 H HA 0.561 5.117 4.556 0.000 0.000 0.353 65 H C 0.444 175.831 175.328 0.098 0.000 1.136 65 H CA -0.794 55.330 56.048 0.127 0.000 1.193 65 H CB 1.504 31.323 29.762 0.094 0.000 1.558 65 H HN 0.063 nan 8.280 nan 0.000 0.515 66 I N 1.811 122.514 120.570 0.223 0.000 2.752 66 I HA 0.017 4.188 4.170 0.000 0.000 0.287 66 I C -0.391 175.548 176.117 -0.298 0.000 1.188 66 I CA 0.954 62.240 61.300 -0.024 0.000 1.427 66 I CB 0.144 38.047 38.000 -0.162 0.000 1.365 66 I HN 0.664 nan 8.210 nan 0.000 0.585 67 D N 3.647 123.909 120.400 -0.230 0.000 2.615 67 D HA 0.336 4.976 4.640 0.000 0.000 0.267 67 D C -0.951 175.466 176.300 0.195 0.000 1.236 67 D CA -0.169 53.823 54.000 -0.014 0.000 0.839 67 D CB 1.741 42.598 40.800 0.094 0.000 1.380 67 D HN 0.609 nan 8.370 nan 0.000 0.433 68 T N -1.573 113.202 114.554 0.369 0.000 2.788 68 T HA 0.151 4.501 4.350 0.000 0.000 0.287 68 T C 0.402 175.326 174.700 0.375 0.000 1.007 68 T CA -0.384 61.958 62.100 0.403 0.000 1.005 68 T CB 1.162 70.174 68.868 0.239 0.000 1.012 68 T HN 0.531 nan 8.240 nan 0.000 0.530 69 W N 0.072 121.514 121.300 0.236 0.000 3.517 69 W HA 0.250 4.910 4.660 0.000 0.000 0.234 69 W C -0.018 176.639 176.519 0.229 0.000 0.972 69 W CA 0.070 57.555 57.345 0.234 0.000 2.002 69 W CB 0.187 29.836 29.460 0.315 0.000 1.018 69 W HN 0.555 nan 8.180 nan 0.000 0.712 70 E N 1.936 122.486 120.200 0.583 0.000 2.343 70 E HA -0.007 4.343 4.350 0.000 0.000 0.269 70 E C 1.415 178.146 176.600 0.219 0.000 1.047 70 E CA -0.114 56.553 56.400 0.445 0.000 0.874 70 E CB 0.148 30.080 29.700 0.387 0.000 1.033 70 E HN 0.308 nan 8.360 nan 0.000 0.409 71 W N 4.091 125.520 121.300 0.215 0.000 2.331 71 W HA -0.195 4.465 4.660 0.000 0.000 0.291 71 W C 0.576 177.164 176.519 0.115 0.000 1.214 71 W CA 1.327 58.757 57.345 0.142 0.000 1.228 71 W CB -0.682 28.863 29.460 0.142 0.000 1.135 71 W HN 0.390 nan 8.180 nan 0.000 0.537 72 N N 0.551 118.614 118.700 -1.061 0.000 2.273 72 N HA -0.041 4.699 4.740 0.000 0.000 0.231 72 N C 0.515 175.718 175.510 -0.513 0.000 1.134 72 N CA 0.195 52.646 53.050 -0.997 0.000 0.856 72 N CB -0.717 36.731 38.487 -1.731 0.000 1.068 72 N HN -0.106 nan 8.380 nan 0.000 0.510 73 D N 0.778 120.954 120.400 -0.373 0.000 2.133 73 D HA -0.109 4.531 4.640 0.000 0.000 0.195 73 D C 1.778 177.512 176.300 -0.944 0.000 0.997 73 D CA 0.862 54.549 54.000 -0.521 0.000 0.840 73 D CB 0.136 40.642 40.800 -0.490 0.000 0.947 73 D HN 0.102 nan 8.370 nan 0.000 0.452 74 V N 0.805 120.314 119.914 -0.676 0.000 2.332 74 V HA -0.250 3.870 4.120 0.000 0.000 0.248 74 V C 2.469 178.396 176.094 -0.278 0.000 1.055 74 V CA 1.959 63.960 62.300 -0.499 0.000 1.038 74 V CB -0.774 30.931 31.823 -0.196 0.000 0.651 74 V HN 0.239 nan 8.190 nan 0.000 0.450 75 T N 0.332 114.741 114.554 -0.242 0.000 2.737 75 T HA -0.123 4.227 4.350 0.000 0.000 0.265 75 T C 1.835 176.469 174.700 -0.110 0.000 1.038 75 T CA 1.353 63.366 62.100 -0.146 0.000 1.144 75 T CB -0.290 68.489 68.868 -0.148 0.000 0.866 75 T HN 0.196 nan 8.240 nan 0.000 0.434 76 L N 0.110 121.257 121.223 -0.126 0.000 2.093 76 L HA 0.009 4.349 4.340 0.000 0.000 0.208 76 L C 2.221 179.101 176.870 0.017 0.000 1.085 76 L CA 1.371 56.222 54.840 0.019 0.000 0.755 76 L CB -1.192 40.981 42.059 0.190 0.000 0.904 76 L HN 0.257 nan 8.230 nan 0.000 0.435 77 Y N 0.136 120.293 120.300 -0.239 0.000 2.165 77 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 77 Y C 2.538 178.260 175.900 -0.296 0.000 1.155 77 Y CA 0.907 58.794 58.100 -0.355 0.000 1.164 77 Y CB -1.542 36.733 38.460 -0.308 0.000 0.978 77 Y HN 0.182 nan 8.280 nan 0.000 0.513 78 G N -0.689 108.094 108.800 -0.028 0.000 2.418 78 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 78 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 78 G C 1.794 176.640 174.900 -0.089 0.000 1.158 78 G CA 1.040 46.096 45.100 -0.074 0.000 0.771 78 G HN 0.313 nan 8.290 nan 0.000 0.545 79 M N -0.429 119.131 119.600 -0.067 0.000 2.117 79 M HA -0.012 4.468 4.480 0.000 0.000 0.262 79 M C 2.446 178.683 176.300 -0.104 0.000 1.065 79 M CA 1.028 56.285 55.300 -0.072 0.000 1.114 79 M CB -0.278 32.296 32.600 -0.043 0.000 1.361 79 M HN 0.300 nan 8.290 nan 0.000 0.408 80 L N 0.865 122.025 121.223 -0.104 0.000 2.027 80 L HA -0.150 4.190 4.340 0.000 0.000 0.206 80 L C 1.880 178.651 176.870 -0.165 0.000 1.074 80 L CA 1.883 56.647 54.840 -0.125 0.000 0.745 80 L CB -0.799 41.237 42.059 -0.038 0.000 0.898 80 L HN 0.245 nan 8.230 nan 0.000 0.433 81 N N -0.934 117.634 118.700 -0.220 0.000 2.381 81 N HA -0.123 4.617 4.740 0.000 0.000 0.182 81 N C 1.610 177.015 175.510 -0.176 0.000 1.025 81 N CA 1.465 54.369 53.050 -0.242 0.000 0.888 81 N CB -0.396 37.886 38.487 -0.342 0.000 0.965 81 N HN 0.431 nan 8.380 nan 0.000 0.438 82 T N 1.772 116.238 114.554 -0.147 0.000 2.881 82 T HA 0.006 4.356 4.350 0.000 0.000 0.270 82 T C 1.986 176.607 174.700 -0.133 0.000 1.068 82 T CA 0.431 62.458 62.100 -0.122 0.000 1.131 82 T CB -0.089 68.719 68.868 -0.099 0.000 0.871 82 T HN 0.220 nan 8.240 nan 0.000 0.479 83 L N 0.463 121.593 121.223 -0.155 0.000 2.265 83 L HA -0.086 4.254 4.340 0.000 0.000 0.215 83 L C 2.364 179.108 176.870 -0.210 0.000 1.117 83 L CA 1.219 55.945 54.840 -0.191 0.000 0.782 83 L CB -0.496 41.441 42.059 -0.203 0.000 0.914 83 L HN 0.272 nan 8.230 nan 0.000 0.441 84 K N -0.073 120.224 120.400 -0.171 0.000 2.432 84 K HA -0.041 4.279 4.320 0.000 0.000 0.196 84 K C 1.519 178.048 176.600 -0.118 0.000 1.038 84 K CA 0.536 56.733 56.287 -0.150 0.000 0.986 84 K CB -0.165 32.256 32.500 -0.133 0.000 0.782 84 K HN 0.466 nan 8.250 nan 0.000 0.485 85 N N 1.012 119.646 118.700 -0.111 0.000 2.043 85 N HA -0.184 4.556 4.740 0.000 0.000 0.193 85 N C 1.800 177.277 175.510 -0.055 0.000 1.037 85 N CA 1.112 54.116 53.050 -0.077 0.000 0.851 85 N CB -0.026 38.419 38.487 -0.070 0.000 1.027 85 N HN -0.004 nan 8.380 nan 0.000 0.422 86 R N 0.297 120.753 120.500 -0.074 0.000 2.276 86 R HA 0.176 4.516 4.340 0.000 0.000 0.196 86 R C -0.418 175.900 176.300 0.029 0.000 0.961 86 R CA 0.267 56.364 56.100 -0.005 0.000 1.024 86 R CB 0.208 30.515 30.300 0.012 0.000 0.940 86 R HN 0.073 nan 8.270 nan 0.000 0.480 87 N N 0.023 118.660 118.700 -0.106 0.000 2.682 87 N HA 0.153 4.893 4.740 0.000 0.000 0.252 87 N C -2.202 173.278 175.510 -0.050 0.000 1.081 87 N CA -2.197 50.823 53.050 -0.051 0.000 0.844 87 N CB 1.663 39.974 38.487 -0.293 0.000 1.167 87 N HN -0.114 nan 8.380 nan 0.000 0.523 88 P HA -0.076 nan 4.420 nan 0.000 0.221 88 P C 0.371 177.648 177.300 -0.038 0.000 1.150 88 P CA 1.104 64.188 63.100 -0.027 0.000 0.800 88 P CB 0.618 32.313 31.700 -0.009 0.000 0.787 89 N N -0.416 118.271 118.700 -0.022 0.000 2.331 89 N HA -0.048 4.692 4.740 0.000 0.000 0.180 89 N C 0.807 176.259 175.510 -0.096 0.000 1.019 89 N CA -0.302 52.724 53.050 -0.041 0.000 0.881 89 N CB -0.311 38.172 38.487 -0.008 0.000 0.972 89 N HN 0.098 nan 8.380 nan 0.000 0.435 90 L N 2.137 123.298 121.223 -0.103 0.000 2.499 90 L HA 0.077 4.417 4.340 0.000 0.000 0.273 90 L C -0.363 176.407 176.870 -0.167 0.000 1.195 90 L CA 0.612 55.362 54.840 -0.150 0.000 0.882 90 L CB 0.348 42.314 42.059 -0.154 0.000 1.133 90 L HN -0.109 nan 8.230 nan 0.000 0.483 91 K N 2.734 122.992 120.400 -0.236 0.000 2.203 91 K HA 0.686 5.006 4.320 0.000 0.000 0.251 91 K C -0.667 175.908 176.600 -0.042 0.000 0.944 91 K CA -0.598 55.589 56.287 -0.167 0.000 0.829 91 K CB 1.802 34.136 32.500 -0.277 0.000 1.125 91 K HN 0.771 nan 8.250 nan 0.000 0.430 92 T N -0.395 114.191 114.554 0.054 0.000 2.893 92 T HA 0.732 5.082 4.350 0.000 0.000 0.291 92 T C -0.789 174.109 174.700 0.331 0.000 1.028 92 T CA -0.921 61.281 62.100 0.170 0.000 0.995 92 T CB 0.883 69.810 68.868 0.098 0.000 1.051 92 T HN 0.211 nan 8.240 nan 0.000 0.470 93 L N 1.490 122.916 121.223 0.338 0.000 2.376 93 L HA 0.730 5.070 4.340 0.000 0.000 0.258 93 L C -1.189 175.643 176.870 -0.063 0.000 1.013 93 L CA -1.012 53.943 54.840 0.191 0.000 0.822 93 L CB 2.122 44.275 42.059 0.156 0.000 1.388 93 L HN 0.698 nan 8.230 nan 0.000 0.413 94 L N 0.604 121.568 121.223 -0.432 0.000 2.307 94 L HA 0.685 5.025 4.340 0.000 0.000 0.284 94 L C -0.219 176.611 176.870 -0.066 0.000 1.023 94 L CA 0.201 54.711 54.840 -0.550 0.000 0.810 94 L CB 1.716 43.124 42.059 -1.085 0.000 1.231 94 L HN 0.562 nan 8.230 nan 0.000 0.423 95 S N 3.770 119.546 115.700 0.127 0.000 2.457 95 S HA 0.611 5.081 4.470 0.000 0.000 0.289 95 S C -0.888 173.961 174.600 0.415 0.000 1.163 95 S CA -0.494 57.895 58.200 0.315 0.000 1.078 95 S CB 1.012 64.487 63.200 0.460 0.000 0.987 95 S HN 0.615 nan 8.310 nan 0.000 0.482 96 V N 6.057 126.181 119.914 0.349 0.000 2.435 96 V HA 0.854 4.974 4.120 0.000 0.000 0.290 96 V C 0.741 176.934 176.094 0.165 0.000 1.030 96 V CA 1.170 63.644 62.300 0.290 0.000 0.881 96 V CB 0.589 32.575 31.823 0.271 0.000 0.983 96 V HN 1.277 nan 8.190 nan 0.000 0.445 97 G N 4.331 113.114 108.800 -0.028 0.000 2.436 97 G HA2 0.473 4.433 3.960 0.000 0.000 0.205 97 G HA3 0.473 4.433 3.960 0.000 0.000 0.205 97 G C 0.744 175.220 174.900 -0.708 0.000 1.188 97 G CA 0.188 45.059 45.100 -0.382 0.000 1.267 97 G HN 2.616 nan 8.290 nan 0.000 0.536 98 G N -2.250 105.795 108.800 -1.259 0.000 2.661 98 G HA2 0.048 4.008 3.960 0.000 0.000 0.685 98 G HA3 0.048 4.008 3.960 0.000 0.000 0.685 98 G C 0.670 175.009 174.900 -0.934 0.000 1.298 98 G CA 0.511 44.398 45.100 -2.022 0.000 0.855 98 G HN 1.309 nan 8.290 nan 0.000 0.560 99 W N -0.148 120.849 121.300 -0.505 0.000 2.425 99 W HA -0.023 4.637 4.660 0.000 0.000 0.277 99 W C 1.886 178.316 176.519 -0.147 0.000 1.231 99 W CA 1.183 58.366 57.345 -0.270 0.000 1.248 99 W CB -0.289 29.040 29.460 -0.219 0.000 1.117 99 W HN 0.478 nan 8.180 nan 0.000 0.568 100 N N -0.170 118.571 118.700 0.069 0.000 2.322 100 N HA -0.020 4.720 4.740 0.000 0.000 0.194 100 N C 1.108 176.783 175.510 0.274 0.000 1.126 100 N CA 0.127 53.267 53.050 0.149 0.000 0.845 100 N CB -0.573 38.016 38.487 0.169 0.000 0.976 100 N HN 0.044 nan 8.380 nan 0.000 0.475 101 F N 1.318 121.297 119.950 0.049 0.000 2.074 101 F HA 0.170 4.697 4.527 0.000 0.000 0.293 101 F C 1.085 176.921 175.800 0.060 0.000 1.116 101 F CA 1.345 59.420 58.000 0.124 0.000 1.212 101 F CB 0.095 39.090 39.000 -0.008 0.000 0.998 101 F HN 0.079 nan 8.300 nan 0.000 0.471 102 G N -0.158 108.846 108.800 0.339 0.000 3.071 102 G HA2 -0.048 3.912 3.960 0.000 0.000 0.620 102 G HA3 -0.048 3.912 3.960 0.000 0.000 0.620 102 G C 0.477 175.559 174.900 0.303 0.000 1.204 102 G CA -0.010 45.216 45.100 0.210 0.000 1.200 102 G HN 0.623 nan 8.290 nan 0.000 0.530 103 S N 1.012 116.855 115.700 0.238 0.000 2.383 103 S HA -0.222 4.248 4.470 0.000 0.000 0.229 103 S C 2.003 176.767 174.600 0.274 0.000 1.030 103 S CA 1.970 60.355 58.200 0.310 0.000 1.002 103 S CB -0.060 63.336 63.200 0.325 0.000 0.829 103 S HN 0.750 nan 8.310 nan 0.000 0.467 104 Q N 1.439 121.350 119.800 0.186 0.000 2.167 104 Q HA 0.131 4.471 4.340 0.000 0.000 0.202 104 Q C 2.296 178.348 176.000 0.087 0.000 0.970 104 Q CA 1.246 57.131 55.803 0.136 0.000 0.855 104 Q CB -0.335 28.457 28.738 0.089 0.000 0.911 104 Q HN 0.557 nan 8.270 nan 0.000 0.438 105 R N -1.253 119.297 120.500 0.083 0.000 2.075 105 R HA -0.089 4.251 4.340 0.000 0.000 0.232 105 R C 1.903 178.227 176.300 0.040 0.000 1.126 105 R CA 1.157 57.272 56.100 0.025 0.000 0.963 105 R CB -0.331 29.927 30.300 -0.070 0.000 0.858 105 R HN 0.293 nan 8.270 nan 0.000 0.435 106 F N 0.806 120.697 119.950 -0.098 0.000 2.186 106 F HA -0.140 4.388 4.527 0.000 0.000 0.299 106 F C 2.676 177.980 175.800 -0.827 0.000 1.090 106 F CA 1.295 58.900 58.000 -0.660 0.000 1.307 106 F CB -0.524 37.588 39.000 -1.480 0.000 1.019 106 F HN -0.081 nan 8.300 nan 0.000 0.489 107 S N -0.181 115.398 115.700 -0.202 0.000 2.356 107 S HA -0.209 4.261 4.470 0.000 0.000 0.223 107 S C 2.184 176.796 174.600 0.021 0.000 1.032 107 S CA 1.515 59.755 58.200 0.067 0.000 1.005 107 S CB -0.262 63.141 63.200 0.339 0.000 0.867 107 S HN 0.388 nan 8.310 nan 0.000 0.449 108 K N 0.343 120.738 120.400 -0.008 0.000 2.063 108 K HA -0.060 4.260 4.320 0.000 0.000 0.208 108 K C 2.027 178.580 176.600 -0.078 0.000 1.048 108 K CA 1.784 58.052 56.287 -0.032 0.000 0.928 108 K CB -0.365 32.115 32.500 -0.034 0.000 0.713 108 K HN 0.444 nan 8.250 nan 0.000 0.442 109 I N 0.749 121.240 120.570 -0.132 0.000 2.142 109 I HA -0.271 3.899 4.170 0.000 0.000 0.240 109 I C 2.434 178.491 176.117 -0.101 0.000 1.078 109 I CA 1.277 62.478 61.300 -0.165 0.000 1.343 109 I CB -0.324 37.470 38.000 -0.343 0.000 1.046 109 I HN 0.144 nan 8.210 nan 0.000 0.405 110 A N 0.289 123.066 122.820 -0.072 0.000 2.015 110 A HA -0.160 4.160 4.320 0.000 0.000 0.219 110 A C 2.428 179.983 177.584 -0.049 0.000 1.163 110 A CA 1.831 53.901 52.037 0.056 0.000 0.646 110 A CB -0.607 18.534 19.000 0.235 0.000 0.806 110 A HN 0.534 nan 8.150 nan 0.000 0.448 111 S N -0.230 115.356 115.700 -0.189 0.000 2.458 111 S HA -0.010 4.460 4.470 0.000 0.000 0.223 111 S C 0.855 175.297 174.600 -0.263 0.000 1.019 111 S CA 0.211 58.089 58.200 -0.537 0.000 0.937 111 S CB -0.466 62.363 63.200 -0.619 0.000 0.788 111 S HN 0.529 nan 8.310 nan 0.000 0.511 112 N N 1.807 120.431 118.700 -0.127 0.000 2.430 112 N HA 0.124 4.864 4.740 0.000 0.000 0.265 112 N C 0.490 175.975 175.510 -0.042 0.000 1.100 112 N CA 0.337 53.346 53.050 -0.067 0.000 0.961 112 N CB 1.165 39.624 38.487 -0.047 0.000 1.075 112 N HN 0.181 nan 8.380 nan 0.000 0.478 113 T N 3.512 118.050 114.554 -0.026 0.000 2.653 113 T HA -0.216 4.134 4.350 0.000 0.000 0.268 113 T C 1.433 176.129 174.700 -0.006 0.000 1.035 113 T CA 1.718 63.812 62.100 -0.009 0.000 1.154 113 T CB 0.037 68.904 68.868 -0.001 0.000 0.862 113 T HN 0.568 nan 8.240 nan 0.000 0.441 114 Q N 0.617 120.412 119.800 -0.008 0.000 2.083 114 Q HA 0.059 4.399 4.340 0.000 0.000 0.198 114 Q C 2.760 178.754 176.000 -0.011 0.000 0.969 114 Q CA 1.252 57.051 55.803 -0.007 0.000 0.838 114 Q CB -0.494 28.241 28.738 -0.005 0.000 0.900 114 Q HN 0.378 nan 8.270 nan 0.000 0.436 115 S N 0.224 115.915 115.700 -0.015 0.000 2.368 115 S HA -0.180 4.290 4.470 0.000 0.000 0.225 115 S C 1.833 176.443 174.600 0.016 0.000 1.030 115 S CA 1.354 59.544 58.200 -0.018 0.000 0.999 115 S CB -0.222 62.954 63.200 -0.041 0.000 0.844 115 S HN 0.322 nan 8.310 nan 0.000 0.459 116 R N 1.006 121.523 120.500 0.027 0.000 2.081 116 R HA -0.096 4.244 4.340 0.000 0.000 0.235 116 R C 2.430 178.772 176.300 0.071 0.000 1.131 116 R CA 1.443 57.595 56.100 0.087 0.000 0.960 116 R CB -0.128 30.209 30.300 0.060 0.000 0.856 116 R HN 0.116 nan 8.270 nan 0.000 0.436 117 R N 0.097 120.607 120.500 0.017 0.000 2.075 117 R HA -0.030 4.310 4.340 0.000 0.000 0.232 117 R C 1.879 178.157 176.300 -0.037 0.000 1.126 117 R CA 2.358 58.450 56.100 -0.013 0.000 0.963 117 R CB -0.881 29.410 30.300 -0.015 0.000 0.858 117 R HN 0.194 nan 8.270 nan 0.000 0.435 118 T N 0.951 115.478 114.554 -0.045 0.000 2.746 118 T HA -0.126 4.224 4.350 0.000 0.000 0.267 118 T C 1.330 175.938 174.700 -0.152 0.000 1.039 118 T CA 1.519 63.535 62.100 -0.139 0.000 1.142 118 T CB -0.467 68.297 68.868 -0.173 0.000 0.866 118 T HN 0.261 nan 8.240 nan 0.000 0.444 119 F N 1.800 121.637 119.950 -0.189 0.000 2.075 119 F HA 0.010 4.537 4.527 0.000 0.000 0.297 119 F C 1.983 177.735 175.800 -0.079 0.000 1.113 119 F CA 0.690 58.602 58.000 -0.147 0.000 1.218 119 F CB -0.778 38.149 39.000 -0.121 0.000 0.984 119 F HN 0.087 nan 8.300 nan 0.000 0.472 120 I N 0.449 120.814 120.570 -0.343 0.000 2.163 120 I HA -0.344 3.826 4.170 0.000 0.000 0.243 120 I C 2.613 178.600 176.117 -0.217 0.000 1.085 120 I CA 1.794 62.854 61.300 -0.400 0.000 1.347 120 I CB -0.602 37.272 38.000 -0.210 0.000 1.044 120 I HN 0.151 nan 8.210 nan 0.000 0.408 121 K N 0.815 121.138 120.400 -0.128 0.000 2.097 121 K HA -0.201 4.119 4.320 0.000 0.000 0.206 121 K C 2.262 178.848 176.600 -0.024 0.000 1.049 121 K CA 1.820 58.074 56.287 -0.056 0.000 0.933 121 K CB -0.053 32.423 32.500 -0.041 0.000 0.717 121 K HN 0.394 nan 8.250 nan 0.000 0.442 122 S N -0.396 115.272 115.700 -0.054 0.000 2.453 122 S HA -0.060 4.410 4.470 0.000 0.000 0.231 122 S C 1.895 176.547 174.600 0.087 0.000 1.005 122 S CA 0.889 59.127 58.200 0.065 0.000 0.949 122 S CB -0.153 63.105 63.200 0.097 0.000 0.774 122 S HN 0.089 nan 8.310 nan 0.000 0.510 123 V N 3.040 122.937 119.914 -0.027 0.000 2.270 123 V HA -0.019 4.101 4.120 0.000 0.000 0.245 123 V C -0.307 175.861 176.094 0.124 0.000 1.043 123 V CA 1.741 64.065 62.300 0.040 0.000 1.014 123 V CB -1.660 30.140 31.823 -0.039 0.000 0.645 123 V HN 0.379 nan 8.190 nan 0.000 0.447 124 P HA -0.094 nan 4.420 nan 0.000 0.215 124 P C -1.334 175.988 177.300 0.037 0.000 1.157 124 P CA 1.828 64.921 63.100 -0.012 0.000 0.868 124 P CB -1.252 30.441 31.700 -0.012 0.000 0.788 125 P HA -0.171 nan 4.420 nan 0.000 0.218 125 P C 1.555 178.929 177.300 0.123 0.000 1.149 125 P CA 1.175 64.323 63.100 0.079 0.000 0.817 125 P CB -0.447 31.310 31.700 0.094 0.000 0.785 126 F N 0.783 120.776 119.950 0.072 0.000 2.146 126 F HA -0.102 4.425 4.527 0.000 0.000 0.298 126 F C 2.276 178.171 175.800 0.159 0.000 1.096 126 F CA 1.280 59.374 58.000 0.157 0.000 1.275 126 F CB -0.806 38.325 39.000 0.219 0.000 1.008 126 F HN -0.308 nan 8.300 nan 0.000 0.480 127 L N -0.284 121.128 121.223 0.314 0.000 2.046 127 L HA -0.208 4.132 4.340 0.000 0.000 0.208 127 L C 2.683 179.603 176.870 0.084 0.000 1.077 127 L CA 0.977 55.950 54.840 0.220 0.000 0.747 127 L CB -0.717 41.394 42.059 0.087 0.000 0.896 127 L HN 0.027 nan 8.230 nan 0.000 0.432 128 R N -0.252 120.246 120.500 -0.004 0.000 2.081 128 R HA -0.085 4.255 4.340 0.000 0.000 0.235 128 R C 2.256 178.481 176.300 -0.126 0.000 1.131 128 R CA 1.656 57.718 56.100 -0.062 0.000 0.960 128 R CB -1.367 28.895 30.300 -0.062 0.000 0.856 128 R HN 0.319 nan 8.270 nan 0.000 0.436 129 T N 0.674 115.108 114.554 -0.200 0.000 2.788 129 T HA -0.094 4.256 4.350 0.000 0.000 0.268 129 T C 1.220 175.601 174.700 -0.531 0.000 1.044 129 T CA 1.180 63.050 62.100 -0.385 0.000 1.139 129 T CB -0.155 68.398 68.868 -0.524 0.000 0.867 129 T HN 0.332 nan 8.240 nan 0.000 0.454 130 H N -0.416 118.549 119.070 -0.176 0.000 2.529 130 H HA 0.362 4.918 4.556 0.000 0.000 0.277 130 H C 1.804 176.949 175.328 -0.305 0.000 1.004 130 H CA 0.413 56.347 56.048 -0.191 0.000 1.167 130 H CB 0.169 29.807 29.762 -0.207 0.000 1.445 130 H HN 0.502 nan 8.280 nan 0.000 0.554 131 G N 0.912 109.608 108.800 -0.173 0.000 2.136 131 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 131 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 131 G C -0.187 174.521 174.900 -0.320 0.000 0.989 131 G CA -0.207 44.742 45.100 -0.252 0.000 0.682 131 G HN 0.179 nan 8.290 nan 0.000 0.522 132 F N 0.729 120.615 119.950 -0.107 0.000 2.375 132 F HA 0.437 4.964 4.527 0.000 0.000 0.333 132 F C 1.320 177.073 175.800 -0.079 0.000 1.104 132 F CA -0.581 57.364 58.000 -0.092 0.000 1.149 132 F CB 0.940 39.885 39.000 -0.091 0.000 1.190 132 F HN -0.037 nan 8.300 nan 0.000 0.533 133 D N 1.117 121.618 120.400 0.167 0.000 2.339 133 D HA 0.236 4.876 4.640 0.000 0.000 0.217 133 D C 0.816 177.147 176.300 0.051 0.000 1.050 133 D CA 0.533 54.574 54.000 0.068 0.000 0.856 133 D CB 0.600 41.437 40.800 0.061 0.000 0.922 133 D HN 0.662 nan 8.370 nan 0.000 0.518 134 G N 0.253 109.102 108.800 0.081 0.000 2.342 134 G HA2 0.385 4.345 3.960 0.000 0.000 0.297 134 G HA3 0.385 4.345 3.960 0.000 0.000 0.297 134 G C -2.301 172.638 174.900 0.064 0.000 1.313 134 G CA -0.811 44.312 45.100 0.038 0.000 0.830 134 G HN 0.058 nan 8.290 nan 0.000 0.506 135 L N 0.264 121.581 121.223 0.157 0.000 2.365 135 L HA 0.827 5.167 4.340 0.000 0.000 0.273 135 L C -1.313 175.626 176.870 0.115 0.000 1.000 135 L CA -0.619 54.312 54.840 0.153 0.000 0.819 135 L CB 2.216 44.451 42.059 0.293 0.000 1.284 135 L HN 0.618 nan 8.230 nan 0.000 0.418 136 D N 3.776 124.241 120.400 0.107 0.000 2.344 136 D HA 0.410 5.050 4.640 0.000 0.000 0.239 136 D C -1.171 175.240 176.300 0.184 0.000 1.064 136 D CA -0.122 53.944 54.000 0.111 0.000 0.829 136 D CB 1.053 41.955 40.800 0.171 0.000 1.129 136 D HN 0.534 nan 8.370 nan 0.000 0.506 137 L N 3.068 124.383 121.223 0.153 0.000 2.281 137 L HA 0.594 4.934 4.340 0.000 0.000 0.285 137 L C 0.266 177.243 176.870 0.179 0.000 1.074 137 L CA -0.634 54.330 54.840 0.208 0.000 0.817 137 L CB 1.460 43.642 42.059 0.206 0.000 1.168 137 L HN 0.593 nan 8.230 nan 0.000 0.434 138 A N 4.145 127.042 122.820 0.128 0.000 3.204 138 A HA 0.184 4.504 4.320 0.000 0.000 0.327 138 A C -1.015 176.418 177.584 -0.252 0.000 0.998 138 A CA -0.450 51.565 52.037 -0.036 0.000 0.891 138 A CB -0.011 19.023 19.000 0.057 0.000 1.061 138 A HN 0.698 nan 8.150 nan 0.000 0.478 139 W N 3.131 124.094 121.300 -0.560 0.000 2.387 139 W HA 0.541 5.201 4.660 0.000 0.000 0.310 139 W C -1.413 174.663 176.519 -0.740 0.000 1.181 139 W CA -1.002 55.805 57.345 -0.897 0.000 1.333 139 W CB 0.333 29.029 29.460 -1.274 0.000 1.286 139 W HN 0.352 nan 8.180 nan 0.000 0.455 140 L N 9.184 130.131 121.223 -0.460 0.000 2.387 140 L HA 0.333 4.673 4.340 0.000 0.000 0.259 140 L C -1.162 175.318 176.870 -0.649 0.000 1.050 140 L CA -0.620 53.515 54.840 -1.176 0.000 0.922 140 L CB -0.170 41.029 42.059 -1.434 0.000 1.280 140 L HN 0.236 nan 8.230 nan 0.000 0.449 141 Y N 0.943 121.198 120.300 -0.074 0.000 2.609 141 Y HA 0.528 5.078 4.550 0.000 0.000 0.342 141 Y C -2.394 173.132 175.900 -0.623 0.000 1.058 141 Y CA -2.710 55.166 58.100 -0.372 0.000 1.055 141 Y CB 1.643 39.896 38.460 -0.345 0.000 1.292 141 Y HN 0.267 nan 8.280 nan 0.000 0.476 142 P HA 0.131 nan 4.420 nan 0.000 0.269 142 P C 0.049 177.035 177.300 -0.524 0.000 1.209 142 P CA 0.071 62.363 63.100 -1.347 0.000 0.776 142 P CB 0.636 31.278 31.700 -1.762 0.000 0.876 143 G N 1.862 110.527 108.800 -0.225 0.000 2.543 143 G HA2 0.091 4.051 3.960 0.000 0.000 0.290 143 G HA3 0.091 4.051 3.960 0.000 0.000 0.290 143 G C 0.926 175.725 174.900 -0.167 0.000 1.310 143 G CA -0.518 44.504 45.100 -0.130 0.000 1.025 143 G HN 0.331 nan 8.290 nan 0.000 0.502 144 R N -0.270 120.157 120.500 -0.123 0.000 2.091 144 R HA -0.115 4.225 4.340 0.000 0.000 0.238 144 R C 2.428 178.668 176.300 -0.099 0.000 1.136 144 R CA 1.620 57.648 56.100 -0.120 0.000 0.959 144 R CB -0.205 30.043 30.300 -0.087 0.000 0.856 144 R HN 0.684 nan 8.270 nan 0.000 0.437 145 R N 0.241 120.706 120.500 -0.059 0.000 2.319 145 R HA 0.050 4.390 4.340 0.000 0.000 0.204 145 R C 0.088 176.344 176.300 -0.073 0.000 0.954 145 R CA 0.693 56.761 56.100 -0.053 0.000 1.066 145 R CB 0.232 30.533 30.300 0.002 0.000 0.991 145 R HN 0.030 nan 8.270 nan 0.000 0.486 146 D N 1.096 121.460 120.400 -0.061 0.000 2.398 146 D HA -0.011 4.629 4.640 0.000 0.000 0.210 146 D C 1.099 177.349 176.300 -0.083 0.000 1.094 146 D CA 0.098 54.099 54.000 0.001 0.000 0.839 146 D CB 0.438 41.248 40.800 0.016 0.000 0.963 146 D HN 0.288 nan 8.370 nan 0.000 0.506 147 K N 1.000 121.324 120.400 -0.127 0.000 2.044 147 K HA -0.192 4.128 4.320 0.000 0.000 0.210 147 K C 1.728 178.351 176.600 0.038 0.000 1.049 147 K CA 1.275 57.528 56.287 -0.057 0.000 0.927 147 K CB 0.314 32.774 32.500 -0.067 0.000 0.713 147 K HN -0.096 nan 8.250 nan 0.000 0.443 148 Q N -0.220 119.558 119.800 -0.038 0.000 2.119 148 Q HA -0.138 4.202 4.340 0.000 0.000 0.201 148 Q C 1.969 178.044 176.000 0.125 0.000 0.972 148 Q CA 1.589 57.396 55.803 0.006 0.000 0.847 148 Q CB -0.516 28.184 28.738 -0.063 0.000 0.903 148 Q HN 0.660 nan 8.270 nan 0.000 0.433 149 H N -0.873 118.289 119.070 0.153 0.000 2.387 149 H HA -0.116 4.440 4.556 0.000 0.000 0.299 149 H C 1.678 177.193 175.328 0.312 0.000 1.090 149 H CA 0.895 57.076 56.048 0.222 0.000 1.332 149 H CB -0.023 29.910 29.762 0.285 0.000 1.386 149 H HN 0.123 nan 8.280 nan 0.000 0.516 150 F N 1.437 121.517 119.950 0.216 0.000 2.146 150 F HA -0.178 4.349 4.527 0.000 0.000 0.298 150 F C 2.268 178.127 175.800 0.099 0.000 1.096 150 F CA 1.396 59.474 58.000 0.130 0.000 1.275 150 F CB -0.584 38.342 39.000 -0.124 0.000 1.008 150 F HN -0.059 nan 8.300 nan 0.000 0.480 151 T N -0.649 113.962 114.554 0.094 0.000 2.746 151 T HA -0.181 4.169 4.350 0.000 0.000 0.267 151 T C 1.904 176.581 174.700 -0.040 0.000 1.039 151 T CA 2.109 64.191 62.100 -0.030 0.000 1.142 151 T CB -0.669 68.224 68.868 0.042 0.000 0.866 151 T HN 0.268 nan 8.240 nan 0.000 0.444 152 T N 2.307 116.886 114.554 0.042 0.000 2.746 152 T HA -0.023 4.327 4.350 0.000 0.000 0.267 152 T C 1.896 176.587 174.700 -0.016 0.000 1.039 152 T CA 0.802 62.915 62.100 0.022 0.000 1.142 152 T CB -0.446 68.478 68.868 0.094 0.000 0.866 152 T HN 0.136 nan 8.240 nan 0.000 0.444 153 L N 1.063 122.312 121.223 0.043 0.000 2.012 153 L HA 0.016 4.356 4.340 0.000 0.000 0.210 153 L C 2.151 178.958 176.870 -0.105 0.000 1.073 153 L CA 1.591 56.460 54.840 0.048 0.000 0.748 153 L CB -0.637 41.556 42.059 0.224 0.000 0.891 153 L HN 0.255 nan 8.230 nan 0.000 0.431 154 I N -0.489 119.948 120.570 -0.222 0.000 2.179 154 I HA -0.324 3.846 4.170 0.000 0.000 0.242 154 I C 2.616 178.550 176.117 -0.304 0.000 1.088 154 I CA 1.703 62.824 61.300 -0.298 0.000 1.357 154 I CB -0.377 37.386 38.000 -0.396 0.000 1.051 154 I HN 0.346 nan 8.210 nan 0.000 0.409 155 K N 1.108 121.310 120.400 -0.330 0.000 2.026 155 K HA -0.205 4.115 4.320 0.000 0.000 0.208 155 K C 1.934 178.300 176.600 -0.390 0.000 1.048 155 K CA 1.616 57.560 56.287 -0.572 0.000 0.929 155 K CB -0.015 32.175 32.500 -0.517 0.000 0.713 155 K HN 0.335 nan 8.250 nan 0.000 0.439 156 E N 0.161 120.211 120.200 -0.250 0.000 2.150 156 E HA -0.205 4.145 4.350 0.000 0.000 0.193 156 E C 1.953 178.407 176.600 -0.243 0.000 0.985 156 E CA 1.168 57.452 56.400 -0.193 0.000 0.814 156 E CB -0.088 29.542 29.700 -0.116 0.000 0.752 156 E HN 0.263 nan 8.360 nan 0.000 0.466 157 M N 1.421 120.831 119.600 -0.317 0.000 2.132 157 M HA -0.150 4.330 4.480 0.000 0.000 0.263 157 M C 2.042 177.925 176.300 -0.694 0.000 1.065 157 M CA 1.587 56.581 55.300 -0.510 0.000 1.122 157 M CB 0.027 32.296 32.600 -0.550 0.000 1.365 157 M HN -0.216 nan 8.290 nan 0.000 0.411 158 K N 0.364 120.453 120.400 -0.518 0.000 2.097 158 K HA 0.029 4.349 4.320 0.000 0.000 0.206 158 K C 1.771 178.262 176.600 -0.182 0.000 1.049 158 K CA 1.854 57.925 56.287 -0.361 0.000 0.933 158 K CB -0.826 31.550 32.500 -0.206 0.000 0.717 158 K HN 0.400 nan 8.250 nan 0.000 0.442 159 A N 0.324 123.030 122.820 -0.190 0.000 1.933 159 A HA -0.143 4.177 4.320 0.000 0.000 0.218 159 A C 2.115 179.678 177.584 -0.035 0.000 1.175 159 A CA 1.901 53.880 52.037 -0.096 0.000 0.628 159 A CB -0.593 18.339 19.000 -0.113 0.000 0.814 159 A HN 0.487 nan 8.150 nan 0.000 0.444 160 E N -0.769 119.398 120.200 -0.055 0.000 2.107 160 E HA -0.103 4.248 4.350 0.000 0.000 0.191 160 E C 1.507 178.245 176.600 0.230 0.000 0.982 160 E CA 1.045 57.474 56.400 0.048 0.000 0.809 160 E CB -0.352 29.357 29.700 0.016 0.000 0.756 160 E HN 0.494 nan 8.360 nan 0.000 0.459 161 F N 0.454 120.375 119.950 -0.048 0.000 2.186 161 F HA -0.034 4.493 4.527 0.000 0.000 0.299 161 F C 2.132 177.922 175.800 -0.017 0.000 1.090 161 F CA 0.642 58.625 58.000 -0.030 0.000 1.307 161 F CB -0.784 38.199 39.000 -0.027 0.000 1.019 161 F HN 0.101 nan 8.300 nan 0.000 0.489 162 I N -0.092 120.588 120.570 0.183 0.000 2.179 162 I HA -0.309 3.861 4.170 0.000 0.000 0.242 162 I C 2.576 178.733 176.117 0.067 0.000 1.088 162 I CA 1.364 62.722 61.300 0.098 0.000 1.357 162 I CB -0.452 37.585 38.000 0.061 0.000 1.051 162 I HN 0.056 nan 8.210 nan 0.000 0.409 163 K N 0.959 121.396 120.400 0.061 0.000 2.057 163 K HA -0.256 4.064 4.320 0.000 0.000 0.207 163 K C 2.188 178.811 176.600 0.039 0.000 1.049 163 K CA 1.543 57.854 56.287 0.041 0.000 0.931 163 K CB -0.135 32.385 32.500 0.032 0.000 0.714 163 K HN 0.182 nan 8.250 nan 0.000 0.440 164 E N 0.276 120.508 120.200 0.053 0.000 2.153 164 E HA -0.159 4.192 4.350 0.000 0.000 0.194 164 E C 1.297 177.902 176.600 0.008 0.000 0.988 164 E CA 1.295 57.711 56.400 0.026 0.000 0.811 164 E CB 0.033 29.743 29.700 0.018 0.000 0.746 164 E HN 0.435 nan 8.360 nan 0.000 0.466 165 A N 0.388 123.216 122.820 0.014 0.000 2.238 165 A HA 0.038 4.358 4.320 0.000 0.000 0.210 165 A C 1.869 179.459 177.584 0.010 0.000 1.179 165 A CA -0.082 51.958 52.037 0.004 0.000 0.827 165 A CB -0.038 18.965 19.000 0.004 0.000 0.856 165 A HN 0.188 nan 8.150 nan 0.000 0.488 166 Q N 0.096 119.906 119.800 0.016 0.000 2.096 166 Q HA -0.171 4.169 4.340 0.000 0.000 0.208 166 Q C -1.002 175.003 176.000 0.008 0.000 0.993 166 Q CA 1.497 57.309 55.803 0.015 0.000 0.862 166 Q CB -1.412 27.335 28.738 0.015 0.000 0.915 166 Q HN 0.460 nan 8.270 nan 0.000 0.416 167 P HA 0.088 nan 4.420 nan 0.000 0.249 167 P C -0.033 177.267 177.300 -0.001 0.000 1.686 167 P CA 0.814 63.914 63.100 0.002 0.000 0.873 167 P CB -0.281 31.419 31.700 -0.000 0.000 1.828 168 G N -0.335 108.465 108.800 0.001 0.000 2.184 168 G HA2 -0.278 3.682 3.960 0.000 0.000 0.264 168 G HA3 -0.278 3.682 3.960 0.000 0.000 0.264 168 G C 0.385 175.282 174.900 -0.005 0.000 0.975 168 G CA -0.211 44.888 45.100 -0.001 0.000 0.642 168 G HN 0.374 nan 8.290 nan 0.000 0.536 169 K N -0.196 120.199 120.400 -0.008 0.000 2.118 169 K HA 0.406 4.726 4.320 0.000 0.000 0.240 169 K C 0.445 177.037 176.600 -0.013 0.000 1.035 169 K CA -0.616 55.662 56.287 -0.015 0.000 0.899 169 K CB 0.419 32.904 32.500 -0.024 0.000 1.085 169 K HN -0.091 nan 8.250 nan 0.000 0.498 170 K N 2.757 123.146 120.400 -0.019 0.000 2.349 170 K HA -0.007 4.313 4.320 0.000 0.000 0.289 170 K C -0.309 176.278 176.600 -0.020 0.000 1.064 170 K CA 0.341 56.620 56.287 -0.013 0.000 0.947 170 K CB 0.596 33.085 32.500 -0.019 0.000 1.007 170 K HN 0.498 nan 8.250 nan 0.000 0.478 171 Q N 3.912 123.711 119.800 -0.002 0.000 2.330 171 Q HA 0.036 4.376 4.340 0.000 0.000 0.279 171 Q C -0.299 175.685 176.000 -0.028 0.000 1.024 171 Q CA -0.098 55.704 55.803 -0.002 0.000 0.900 171 Q CB 0.552 29.318 28.738 0.046 0.000 1.221 171 Q HN 0.492 nan 8.270 nan 0.000 0.396 172 L N 4.408 125.547 121.223 -0.140 0.000 2.456 172 L HA 0.085 4.425 4.340 0.000 0.000 0.272 172 L C 0.020 176.870 176.870 -0.034 0.000 1.189 172 L CA -0.094 54.588 54.840 -0.264 0.000 0.846 172 L CB 0.241 41.798 42.059 -0.836 0.000 1.111 172 L HN 0.580 nan 8.230 nan 0.000 0.475 173 L N 3.668 124.925 121.223 0.057 0.000 2.375 173 L HA 0.379 4.720 4.340 0.000 0.000 0.271 173 L C -0.415 176.617 176.870 0.271 0.000 1.107 173 L CA -0.460 54.491 54.840 0.184 0.000 0.806 173 L CB 1.275 43.463 42.059 0.215 0.000 1.146 173 L HN 0.387 nan 8.230 nan 0.000 0.447 174 L N 2.611 123.939 121.223 0.175 0.000 2.376 174 L HA 0.539 4.879 4.340 0.000 0.000 0.275 174 L C -0.214 176.531 176.870 -0.208 0.000 0.987 174 L CA 0.188 55.071 54.840 0.070 0.000 0.828 174 L CB 1.697 43.734 42.059 -0.036 0.000 1.249 174 L HN 0.734 nan 8.230 nan 0.000 0.409 175 S N 3.429 118.938 115.700 -0.319 0.000 2.709 175 S HA 1.042 5.512 4.470 0.000 0.000 0.302 175 S C -0.678 173.776 174.600 -0.244 0.000 1.127 175 S CA -0.312 57.535 58.200 -0.587 0.000 0.905 175 S CB 1.895 64.311 63.200 -1.306 0.000 1.151 175 S HN 1.148 nan 8.310 nan 0.000 0.510 176 A N -0.083 122.634 122.820 -0.171 0.000 2.520 176 A HA 0.856 5.176 4.320 0.000 0.000 0.298 176 A C -0.586 177.041 177.584 0.070 0.000 1.051 176 A CA -0.520 51.515 52.037 -0.003 0.000 0.690 176 A CB 1.212 20.206 19.000 -0.010 0.000 1.281 176 A HN 1.718 nan 8.150 nan 0.000 0.402 177 A N 2.284 125.188 122.820 0.139 0.000 2.252 177 A HA 0.691 5.011 4.320 0.000 0.000 0.309 177 A C -0.490 177.138 177.584 0.073 0.000 1.285 177 A CA -0.184 51.952 52.037 0.165 0.000 0.900 177 A CB -0.144 18.971 19.000 0.191 0.000 1.157 177 A HN 0.813 nan 8.150 nan 0.000 0.536 178 L N 1.783 123.031 121.223 0.041 0.000 2.342 178 L HA 0.496 4.836 4.340 0.000 0.000 0.271 178 L C 0.836 177.795 176.870 0.147 0.000 1.008 178 L CA -0.798 54.036 54.840 -0.010 0.000 0.818 178 L CB 2.006 43.863 42.059 -0.338 0.000 1.296 178 L HN 0.700 nan 8.230 nan 0.000 0.427 179 S N 0.733 116.635 115.700 0.338 0.000 2.568 179 S HA 0.231 4.701 4.470 0.000 0.000 0.282 179 S C 0.821 175.476 174.600 0.092 0.000 1.338 179 S CA 0.214 58.468 58.200 0.091 0.000 1.045 179 S CB 1.142 64.150 63.200 -0.319 0.000 0.873 179 S HN 0.719 nan 8.310 nan 0.000 0.516 180 A N 3.823 126.632 122.820 -0.018 0.000 2.308 180 A HA 0.429 4.750 4.320 0.000 0.000 0.217 180 A C 1.028 178.767 177.584 0.258 0.000 1.216 180 A CA 0.231 52.339 52.037 0.118 0.000 0.864 180 A CB -0.452 18.576 19.000 0.046 0.000 0.902 180 A HN 0.947 nan 8.150 nan 0.000 0.499 181 G N -0.055 108.804 108.800 0.098 0.000 2.349 181 G HA2 0.310 4.270 3.960 0.000 0.000 0.281 181 G HA3 0.310 4.270 3.960 0.000 0.000 0.281 181 G C 0.679 175.593 174.900 0.023 0.000 1.182 181 G CA -0.117 45.056 45.100 0.120 0.000 0.899 181 G HN 0.393 nan 8.290 nan 0.000 0.455 182 K N 2.271 122.633 120.400 -0.064 0.000 2.074 182 K HA -0.157 4.163 4.320 0.000 0.000 0.209 182 K C 2.321 178.764 176.600 -0.260 0.000 1.048 182 K CA 1.563 57.706 56.287 -0.239 0.000 0.926 182 K CB -0.090 31.894 32.500 -0.859 0.000 0.713 182 K HN 0.366 nan 8.250 nan 0.000 0.444 183 V N 0.807 120.520 119.914 -0.335 0.000 2.343 183 V HA -0.246 3.875 4.120 0.000 0.000 0.247 183 V C 2.213 178.173 176.094 -0.223 0.000 1.051 183 V CA 2.337 64.488 62.300 -0.248 0.000 1.036 183 V CB -0.650 31.061 31.823 -0.188 0.000 0.654 183 V HN 0.473 nan 8.190 nan 0.000 0.451 184 T N 0.041 114.439 114.554 -0.259 0.000 2.777 184 T HA -0.043 4.307 4.350 0.000 0.000 0.266 184 T C 1.845 176.265 174.700 -0.467 0.000 1.040 184 T CA 1.489 63.350 62.100 -0.398 0.000 1.141 184 T CB -0.241 68.301 68.868 -0.543 0.000 0.868 184 T HN 0.322 nan 8.240 nan 0.000 0.444 185 I N 1.381 121.808 120.570 -0.238 0.000 2.163 185 I HA -0.200 3.970 4.170 0.000 0.000 0.243 185 I C 2.274 178.340 176.117 -0.085 0.000 1.085 185 I CA 1.255 62.518 61.300 -0.063 0.000 1.347 185 I CB -0.318 37.829 38.000 0.245 0.000 1.044 185 I HN 0.133 nan 8.210 nan 0.000 0.408 186 D N 0.166 120.540 120.400 -0.043 0.000 2.178 186 D HA -0.129 4.511 4.640 0.000 0.000 0.202 186 D C 2.359 178.593 176.300 -0.110 0.000 0.974 186 D CA 1.769 55.752 54.000 -0.030 0.000 0.841 186 D CB -0.078 40.713 40.800 -0.015 0.000 0.953 186 D HN 0.385 nan 8.370 nan 0.000 0.478 187 S N -1.135 114.449 115.700 -0.194 0.000 2.470 187 S HA 0.075 4.545 4.470 0.000 0.000 0.222 187 S C 1.892 176.325 174.600 -0.277 0.000 1.024 187 S CA 0.352 58.429 58.200 -0.205 0.000 0.931 187 S CB 0.348 63.425 63.200 -0.204 0.000 0.791 187 S HN -0.008 nan 8.310 nan 0.000 0.513 188 S N -0.193 115.233 115.700 -0.456 0.000 2.514 188 S HA 0.395 4.865 4.470 0.000 0.000 0.223 188 S C -0.676 173.683 174.600 -0.403 0.000 1.046 188 S CA -0.289 57.546 58.200 -0.608 0.000 0.914 188 S CB -0.016 62.554 63.200 -1.050 0.000 0.807 188 S HN 0.556 nan 8.310 nan 0.000 0.497 189 Y N 1.757 121.990 120.300 -0.112 0.000 2.393 189 Y HA 0.574 5.124 4.550 0.000 0.000 0.341 189 Y C -0.331 175.564 175.900 -0.008 0.000 0.988 189 Y CA -2.513 55.582 58.100 -0.009 0.000 1.078 189 Y CB 0.557 39.020 38.460 0.005 0.000 1.203 189 Y HN -0.085 nan 8.280 nan 0.000 0.453 190 D N 3.652 124.172 120.400 0.200 0.000 2.493 190 D HA 0.196 4.836 4.640 0.000 0.000 0.235 190 D C 0.905 177.238 176.300 0.054 0.000 1.117 190 D CA -0.085 53.964 54.000 0.081 0.000 0.930 190 D CB 0.405 41.238 40.800 0.056 0.000 1.010 190 D HN 0.413 nan 8.370 nan 0.000 0.514 191 I N 2.211 122.798 120.570 0.028 0.000 2.163 191 I HA -0.271 3.899 4.170 0.000 0.000 0.243 191 I C 2.320 178.404 176.117 -0.056 0.000 1.085 191 I CA 1.015 62.299 61.300 -0.027 0.000 1.347 191 I CB -1.320 36.639 38.000 -0.068 0.000 1.044 191 I HN 0.375 nan 8.210 nan 0.000 0.408 192 A N 0.820 123.605 122.820 -0.058 0.000 1.908 192 A HA -0.225 4.095 4.320 0.000 0.000 0.218 192 A C 2.396 179.934 177.584 -0.077 0.000 1.181 192 A CA 1.721 53.718 52.037 -0.066 0.000 0.627 192 A CB -0.467 18.499 19.000 -0.056 0.000 0.818 192 A HN 0.393 nan 8.150 nan 0.000 0.445 193 K N -0.243 120.124 120.400 -0.056 0.000 2.031 193 K HA -0.022 4.298 4.320 0.000 0.000 0.205 193 K C 1.960 178.505 176.600 -0.092 0.000 1.049 193 K CA 1.519 57.768 56.287 -0.064 0.000 0.939 193 K CB -0.440 32.059 32.500 -0.002 0.000 0.717 193 K HN 0.771 nan 8.250 nan 0.000 0.438 194 I N -0.471 120.062 120.570 -0.061 0.000 2.546 194 I HA -0.156 4.014 4.170 0.000 0.000 0.255 194 I C 2.089 178.134 176.117 -0.119 0.000 1.163 194 I CA 1.411 62.661 61.300 -0.083 0.000 1.457 194 I CB -0.485 37.425 38.000 -0.150 0.000 1.092 194 I HN -0.022 nan 8.210 nan 0.000 0.434 195 S N 0.650 116.279 115.700 -0.119 0.000 2.515 195 S HA -0.108 4.362 4.470 0.000 0.000 0.231 195 S C 1.827 176.340 174.600 -0.144 0.000 0.987 195 S CA 0.648 58.784 58.200 -0.107 0.000 0.936 195 S CB -0.472 62.681 63.200 -0.079 0.000 0.766 195 S HN 0.653 nan 8.310 nan 0.000 0.528 196 Q N 0.101 119.747 119.800 -0.255 0.000 2.172 196 Q HA -0.024 4.316 4.340 0.000 0.000 0.200 196 Q C 1.609 177.372 176.000 -0.395 0.000 0.964 196 Q CA 1.242 56.824 55.803 -0.368 0.000 0.855 196 Q CB -0.151 28.243 28.738 -0.572 0.000 0.918 196 Q HN 0.743 nan 8.270 nan 0.000 0.444 197 H N -0.848 118.177 119.070 -0.076 0.000 2.595 197 H HA 0.210 4.766 4.556 0.000 0.000 0.265 197 H C 0.413 175.681 175.328 -0.100 0.000 0.953 197 H CA 0.154 56.148 56.048 -0.090 0.000 1.197 197 H CB 0.504 30.193 29.762 -0.123 0.000 1.438 197 H HN 0.111 nan 8.280 nan 0.000 0.531 198 L N 1.616 122.822 121.223 -0.028 0.000 2.350 198 L HA 0.069 4.409 4.340 0.000 0.000 0.275 198 L C 1.187 178.037 176.870 -0.033 0.000 1.099 198 L CA -0.348 54.449 54.840 -0.071 0.000 0.808 198 L CB 1.156 43.144 42.059 -0.119 0.000 1.149 198 L HN -0.011 nan 8.230 nan 0.000 0.442 199 D N 1.913 122.291 120.400 -0.037 0.000 2.162 199 D HA -0.002 4.639 4.640 0.000 0.000 0.203 199 D C -0.137 176.278 176.300 0.191 0.000 0.967 199 D CA 1.438 55.485 54.000 0.079 0.000 0.840 199 D CB 0.272 41.150 40.800 0.130 0.000 0.972 199 D HN 0.342 nan 8.370 nan 0.000 0.482 200 F N -1.347 118.607 119.950 0.005 0.000 2.678 200 F HA 0.518 5.045 4.527 0.000 0.000 0.308 200 F C -1.572 174.232 175.800 0.007 0.000 1.118 200 F CA -1.325 56.672 58.000 -0.004 0.000 0.959 200 F CB 0.974 39.956 39.000 -0.029 0.000 1.305 200 F HN -0.383 nan 8.300 nan 0.000 0.443 201 I N 2.220 122.922 120.570 0.219 0.000 2.378 201 I HA 0.384 4.554 4.170 0.000 0.000 0.291 201 I C -0.580 175.687 176.117 0.251 0.000 0.992 201 I CA -0.676 60.699 61.300 0.125 0.000 1.154 201 I CB 2.091 40.117 38.000 0.043 0.000 1.315 201 I HN 0.658 nan 8.210 nan 0.000 0.448 202 S N 7.116 122.978 115.700 0.270 0.000 2.420 202 S HA 0.443 4.913 4.470 0.000 0.000 0.313 202 S C -0.224 174.498 174.600 0.202 0.000 1.079 202 S CA -0.413 57.977 58.200 0.316 0.000 1.104 202 S CB 0.676 64.156 63.200 0.466 0.000 0.969 202 S HN 0.433 nan 8.310 nan 0.000 0.471 203 I N 4.339 125.005 120.570 0.160 0.000 2.325 203 I HA 0.265 4.435 4.170 0.000 0.000 0.291 203 I C -0.034 176.102 176.117 0.031 0.000 1.019 203 I CA -0.761 60.594 61.300 0.092 0.000 1.302 203 I CB 0.691 38.754 38.000 0.104 0.000 1.401 203 I HN 0.633 nan 8.210 nan 0.000 0.485 204 M N 7.257 126.794 119.600 -0.104 0.000 3.596 204 M HA 0.085 4.565 4.480 0.000 0.000 0.219 204 M C 0.443 176.259 176.300 -0.807 0.000 1.471 204 M CA -0.121 54.871 55.300 -0.513 0.000 1.644 204 M CB -0.788 31.560 32.600 -0.421 0.000 1.083 204 M HN 0.544 nan 8.290 nan 0.000 0.579 205 T N 0.170 114.471 114.554 -0.421 0.000 4.219 205 T HA 0.303 4.653 4.350 0.000 0.000 0.263 205 T C -0.536 174.095 174.700 -0.115 0.000 1.217 205 T CA -0.247 61.751 62.100 -0.171 0.000 1.145 205 T CB -1.127 67.843 68.868 0.169 0.000 1.298 205 T HN 0.546 nan 8.240 nan 0.000 0.999 206 Y N -2.767 117.368 120.300 -0.275 0.000 2.818 206 Y HA 0.508 5.059 4.550 0.000 0.000 0.341 206 Y C -0.426 175.409 175.900 -0.109 0.000 1.283 206 Y CA -1.855 56.193 58.100 -0.086 0.000 1.075 206 Y CB -0.082 38.438 38.460 0.101 0.000 1.370 206 Y HN 0.145 nan 8.280 nan 0.000 0.448 207 D N -0.208 120.587 120.400 0.658 0.000 2.800 207 D HA -0.189 4.451 4.640 0.000 0.000 0.232 207 D C 0.039 176.475 176.300 0.227 0.000 1.137 207 D CA 1.085 55.349 54.000 0.440 0.000 0.718 207 D CB -1.279 39.719 40.800 0.330 0.000 1.084 207 D HN 0.575 nan 8.370 nan 0.000 0.432 208 F N -0.682 119.479 119.950 0.351 0.000 2.615 208 F HA 0.053 4.580 4.527 0.000 0.000 0.297 208 F C 1.495 177.453 175.800 0.264 0.000 1.124 208 F CA 0.482 58.636 58.000 0.257 0.000 1.451 208 F CB 0.164 39.286 39.000 0.204 0.000 1.103 208 F HN 0.090 nan 8.300 nan 0.000 0.569 209 H N -0.270 119.021 119.070 0.369 0.000 2.645 209 H HA 0.473 5.029 4.556 0.000 0.000 0.257 209 H C 0.467 175.898 175.328 0.173 0.000 1.269 209 H CA -0.705 55.463 56.048 0.200 0.000 1.409 209 H CB 0.000 29.876 29.762 0.190 0.000 1.434 209 H HN 0.098 nan 8.280 nan 0.000 0.505 210 G N 1.493 110.285 108.800 -0.013 0.000 2.484 210 G HA2 0.221 4.181 3.960 0.000 0.000 0.235 210 G HA3 0.221 4.181 3.960 0.000 0.000 0.235 210 G C 1.047 175.880 174.900 -0.111 0.000 1.282 210 G CA 0.054 45.183 45.100 0.049 0.000 0.857 210 G HN 0.780 nan 8.290 nan 0.000 0.571 211 A N 2.708 125.634 122.820 0.177 0.000 2.125 211 A HA -0.065 4.255 4.320 0.000 0.000 0.219 211 A C 1.900 179.480 177.584 -0.006 0.000 1.156 211 A CA 1.523 53.672 52.037 0.187 0.000 0.671 211 A CB -0.605 18.578 19.000 0.305 0.000 0.794 211 A HN 1.012 nan 8.150 nan 0.000 0.459 212 W N 0.263 121.558 121.300 -0.008 0.000 2.387 212 W HA -0.148 4.512 4.660 0.000 0.000 0.272 212 W C 1.291 177.758 176.519 -0.087 0.000 1.224 212 W CA 0.825 58.145 57.345 -0.042 0.000 1.210 212 W CB -0.624 28.813 29.460 -0.038 0.000 1.125 212 W HN 0.296 nan 8.180 nan 0.000 0.572 213 R N 0.924 120.870 120.500 -0.922 0.000 2.235 213 R HA 0.039 4.379 4.340 0.000 0.000 0.213 213 R C 2.105 178.145 176.300 -0.433 0.000 1.059 213 R CA 1.083 56.606 56.100 -0.962 0.000 0.997 213 R CB -0.711 28.829 30.300 -1.267 0.000 0.884 213 R HN 0.390 nan 8.270 nan 0.000 0.462 214 G N 0.928 109.542 108.800 -0.309 0.000 2.162 214 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 214 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 214 G C 0.230 174.958 174.900 -0.286 0.000 0.976 214 G CA 0.721 45.690 45.100 -0.218 0.000 0.655 214 G HN 0.487 nan 8.290 nan 0.000 0.533 215 T N -2.220 112.100 114.554 -0.390 0.000 2.883 215 T HA 0.729 5.079 4.350 0.000 0.000 0.296 215 T C 0.104 174.352 174.700 -0.753 0.000 1.117 215 T CA 0.366 62.199 62.100 -0.445 0.000 1.006 215 T CB 1.837 70.519 68.868 -0.310 0.000 1.191 215 T HN 1.252 nan 8.240 nan 0.000 0.508 216 T N -1.038 112.922 114.554 -0.990 0.000 2.913 216 T HA 0.640 4.990 4.350 0.000 0.000 0.297 216 T C 0.476 174.414 174.700 -1.270 0.000 1.029 216 T CA -0.246 60.882 62.100 -1.621 0.000 1.104 216 T CB 0.559 68.126 68.868 -2.169 0.000 0.964 216 T HN 1.451 nan 8.240 nan 0.000 0.532 217 G N 0.714 108.784 108.800 -1.218 0.000 2.733 217 G HA2 0.363 4.323 3.960 0.000 0.000 0.297 217 G HA3 0.363 4.323 3.960 0.000 0.000 0.297 217 G C -1.439 173.426 174.900 -0.059 0.000 1.452 217 G CA -0.834 43.639 45.100 -1.044 0.000 0.940 217 G HN 0.977 nan 8.290 nan 0.000 0.547 218 H N 0.644 119.800 119.070 0.143 0.000 2.683 218 H HA 0.122 4.678 4.556 0.000 0.000 0.339 218 H C 1.447 176.973 175.328 0.330 0.000 1.081 218 H CA 0.669 56.931 56.048 0.355 0.000 1.432 218 H CB 1.193 31.087 29.762 0.221 0.000 1.462 218 H HN 0.843 nan 8.280 nan 0.000 0.557 219 H N 1.164 120.393 119.070 0.264 0.000 2.548 219 H HA 0.131 4.687 4.556 0.000 0.000 0.268 219 H C 0.320 175.965 175.328 0.529 0.000 0.975 219 H CA 0.412 56.692 56.048 0.386 0.000 1.195 219 H CB 0.592 30.510 29.762 0.261 0.000 1.397 219 H HN 0.241 nan 8.280 nan 0.000 0.572 220 S N 1.814 117.600 115.700 0.143 0.000 2.472 220 S HA 0.252 4.722 4.470 0.000 0.000 0.191 220 S C -2.905 171.745 174.600 0.084 0.000 1.244 220 S CA -1.231 57.038 58.200 0.115 0.000 1.227 220 S CB 0.186 63.210 63.200 -0.293 0.000 1.381 220 S HN 0.261 nan 8.310 nan 0.000 0.394 221 P HA 0.188 nan 4.420 nan 0.000 0.277 221 P C 0.879 178.031 177.300 -0.245 0.000 1.240 221 P CA -0.598 62.385 63.100 -0.196 0.000 0.798 221 P CB 1.119 32.742 31.700 -0.127 0.000 0.979 222 L N 2.101 123.110 121.223 -0.356 0.000 2.072 222 L HA 0.156 4.496 4.340 0.000 0.000 0.205 222 L C 0.393 176.724 176.870 -0.899 0.000 1.079 222 L CA 1.848 56.282 54.840 -0.676 0.000 0.752 222 L CB -0.694 40.883 42.059 -0.803 0.000 0.906 222 L HN 0.262 nan 8.230 nan 0.000 0.436 223 F N -2.382 117.459 119.950 -0.181 0.000 2.631 223 F HA 0.408 4.935 4.527 0.000 0.000 0.328 223 F C 1.544 177.269 175.800 -0.125 0.000 1.067 223 F CA -0.788 57.131 58.000 -0.135 0.000 0.969 223 F CB 0.782 39.728 39.000 -0.090 0.000 1.332 223 F HN -0.328 nan 8.300 nan 0.000 0.490 224 R N 0.815 121.385 120.500 0.117 0.000 2.091 224 R HA 0.167 4.507 4.340 0.000 0.000 0.238 224 R C 0.934 177.239 176.300 0.008 0.000 1.136 224 R CA 1.601 57.703 56.100 0.002 0.000 0.959 224 R CB -0.583 29.710 30.300 -0.010 0.000 0.856 224 R HN 1.039 nan 8.270 nan 0.000 0.437 225 G N -0.024 108.803 108.800 0.045 0.000 2.584 225 G HA2 -0.383 3.577 3.960 0.000 0.000 0.229 225 G HA3 -0.383 3.577 3.960 0.000 0.000 0.229 225 G C -0.984 173.909 174.900 -0.013 0.000 1.320 225 G CA 0.133 45.243 45.100 0.016 0.000 0.891 225 G HN 0.587 nan 8.290 nan 0.000 0.573 226 Q N 0.406 120.197 119.800 -0.014 0.000 2.362 226 Q HA 0.056 4.396 4.340 0.000 0.000 0.305 226 Q C 1.537 177.516 176.000 -0.036 0.000 1.120 226 Q CA 1.003 56.793 55.803 -0.022 0.000 1.011 226 Q CB 0.255 28.983 28.738 -0.016 0.000 1.048 226 Q HN 0.610 nan 8.270 nan 0.000 0.386 227 E N 3.220 123.398 120.200 -0.037 0.000 2.085 227 E HA -0.239 4.111 4.350 0.000 0.000 0.194 227 E C 0.726 177.293 176.600 -0.056 0.000 0.994 227 E CA 1.845 58.217 56.400 -0.047 0.000 0.801 227 E CB 0.199 29.875 29.700 -0.040 0.000 0.743 227 E HN 0.885 nan 8.360 nan 0.000 0.453 228 D N -0.849 119.521 120.400 -0.049 0.000 2.363 228 D HA -0.006 4.634 4.640 0.000 0.000 0.226 228 D C 1.061 177.324 176.300 -0.063 0.000 1.020 228 D CA 0.729 54.697 54.000 -0.054 0.000 0.892 228 D CB 0.129 40.902 40.800 -0.044 0.000 0.900 228 D HN 0.131 nan 8.370 nan 0.000 0.531 229 A N 0.008 122.789 122.820 -0.064 0.000 2.348 229 A HA 0.279 4.599 4.320 0.000 0.000 0.224 229 A C 0.969 178.499 177.584 -0.090 0.000 1.227 229 A CA -0.037 51.955 52.037 -0.076 0.000 0.885 229 A CB -0.110 18.852 19.000 -0.063 0.000 0.933 229 A HN 0.247 nan 8.150 nan 0.000 0.506 230 S N -0.349 115.296 115.700 -0.092 0.000 2.508 230 S HA 0.521 4.991 4.470 0.000 0.000 0.284 230 S C -1.874 172.648 174.600 -0.131 0.000 1.192 230 S CA -1.068 57.065 58.200 -0.111 0.000 1.070 230 S CB 1.420 64.543 63.200 -0.127 0.000 1.004 230 S HN 0.028 nan 8.310 nan 0.000 0.493 231 P HA 0.089 nan 4.420 nan 0.000 0.217 231 P C -0.354 176.802 177.300 -0.240 0.000 1.151 231 P CA 1.291 64.293 63.100 -0.164 0.000 0.828 231 P CB -0.049 31.554 31.700 -0.161 0.000 0.788 232 D N -3.881 116.302 120.400 -0.362 0.000 2.768 232 D HA 0.123 4.763 4.640 0.000 0.000 0.327 232 D C 0.549 176.515 176.300 -0.555 0.000 1.302 232 D CA -0.904 52.775 54.000 -0.536 0.000 0.897 232 D CB 0.266 40.481 40.800 -0.976 0.000 1.420 232 D HN -0.136 nan 8.370 nan 0.000 0.494 233 R N -0.393 119.745 120.500 -0.603 0.000 2.246 233 R HA 0.163 4.503 4.340 0.000 0.000 0.199 233 R C 0.552 176.562 176.300 -0.485 0.000 0.984 233 R CA 0.583 56.451 56.100 -0.387 0.000 1.015 233 R CB -0.532 29.649 30.300 -0.199 0.000 0.930 233 R HN 0.446 nan 8.270 nan 0.000 0.475 234 F N -1.182 118.423 119.950 -0.575 0.000 2.678 234 F HA 0.513 5.040 4.527 0.000 0.000 0.305 234 F C 0.255 175.769 175.800 -0.476 0.000 1.090 234 F CA -1.026 56.458 58.000 -0.859 0.000 1.272 234 F CB 0.232 38.408 39.000 -1.372 0.000 1.060 234 F HN -0.213 nan 8.300 nan 0.000 0.576 235 S N 2.333 117.759 115.700 -0.457 0.000 3.697 235 S HA 0.233 4.703 4.470 0.000 0.000 0.207 235 S C -0.495 173.438 174.600 -1.113 0.000 1.459 235 S CA -0.388 57.473 58.200 -0.565 0.000 1.122 235 S CB -1.547 61.530 63.200 -0.206 0.000 1.311 235 S HN 0.720 nan 8.310 nan 0.000 0.487 236 N N -2.416 115.591 118.700 -1.154 0.000 2.708 236 N HA 0.309 5.050 4.740 0.000 0.000 0.257 236 N C 0.419 175.638 175.510 -0.484 0.000 1.373 236 N CA -0.873 51.673 53.050 -0.839 0.000 0.843 236 N CB 0.217 38.490 38.487 -0.357 0.000 1.503 236 N HN -0.202 nan 8.380 nan 0.000 0.504 237 T N -0.706 113.715 114.554 -0.221 0.000 2.684 237 T HA -0.210 4.140 4.350 0.000 0.000 0.267 237 T C 0.992 175.627 174.700 -0.109 0.000 1.036 237 T CA 2.077 64.152 62.100 -0.042 0.000 1.148 237 T CB -0.650 68.121 68.868 -0.163 0.000 0.863 237 T HN 0.786 nan 8.240 nan 0.000 0.436 238 D N -0.082 120.130 120.400 -0.314 0.000 2.104 238 D HA -0.180 4.460 4.640 0.000 0.000 0.194 238 D C 1.889 178.245 176.300 0.094 0.000 0.994 238 D CA 1.209 55.115 54.000 -0.156 0.000 0.830 238 D CB -0.352 40.348 40.800 -0.167 0.000 0.959 238 D HN 0.471 nan 8.370 nan 0.000 0.452 239 Y N 0.657 120.966 120.300 0.014 0.000 2.145 239 Y HA -0.130 4.420 4.550 0.000 0.000 0.286 239 Y C 2.216 178.205 175.900 0.149 0.000 1.145 239 Y CA 2.079 60.226 58.100 0.078 0.000 1.148 239 Y CB -0.751 37.730 38.460 0.035 0.000 0.981 239 Y HN 0.061 nan 8.280 nan 0.000 0.507 240 A N -0.653 122.357 122.820 0.318 0.000 1.902 240 A HA -0.151 4.169 4.320 0.000 0.000 0.217 240 A C 2.360 180.065 177.584 0.202 0.000 1.181 240 A CA 2.019 54.260 52.037 0.339 0.000 0.623 240 A CB -1.335 17.921 19.000 0.427 0.000 0.818 240 A HN 0.350 nan 8.150 nan 0.000 0.443 241 V N -0.140 119.878 119.914 0.174 0.000 2.295 241 V HA -0.177 3.943 4.120 0.000 0.000 0.246 241 V C 2.838 178.994 176.094 0.104 0.000 1.049 241 V CA 2.042 64.439 62.300 0.162 0.000 1.024 241 V CB -1.417 30.559 31.823 0.254 0.000 0.648 241 V HN 0.612 nan 8.190 nan 0.000 0.447 242 G N -1.736 107.111 108.800 0.078 0.000 2.422 242 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 242 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 242 G C 1.560 176.451 174.900 -0.015 0.000 1.146 242 G CA 1.103 46.215 45.100 0.019 0.000 0.769 242 G HN 0.525 nan 8.290 nan 0.000 0.547 243 Y N 0.787 120.923 120.300 -0.273 0.000 2.163 243 Y HA 0.066 4.616 4.550 0.000 0.000 0.288 243 Y C 2.858 178.708 175.900 -0.083 0.000 1.136 243 Y CA 1.296 59.241 58.100 -0.258 0.000 1.147 243 Y CB -0.231 38.016 38.460 -0.356 0.000 0.987 243 Y HN 0.127 nan 8.280 nan 0.000 0.509 244 M N -0.882 118.704 119.600 -0.024 0.000 2.159 244 M HA -0.230 4.250 4.480 0.000 0.000 0.263 244 M C 2.112 178.360 176.300 -0.088 0.000 1.063 244 M CA 1.490 56.734 55.300 -0.093 0.000 1.110 244 M CB -0.377 32.223 32.600 0.001 0.000 1.374 244 M HN 0.306 nan 8.290 nan 0.000 0.411 245 L N -0.660 120.539 121.223 -0.039 0.000 2.017 245 L HA -0.224 4.116 4.340 0.000 0.000 0.208 245 L C 2.569 179.407 176.870 -0.053 0.000 1.073 245 L CA 1.358 56.179 54.840 -0.032 0.000 0.745 245 L CB -0.612 41.443 42.059 -0.006 0.000 0.894 245 L HN 0.270 nan 8.230 nan 0.000 0.432 246 R N 0.039 120.504 120.500 -0.060 0.000 2.120 246 R HA -0.115 4.225 4.340 0.000 0.000 0.234 246 R C 2.074 178.310 176.300 -0.107 0.000 1.123 246 R CA 1.071 57.138 56.100 -0.056 0.000 0.975 246 R CB -0.327 29.970 30.300 -0.005 0.000 0.866 246 R HN 0.375 nan 8.270 nan 0.000 0.446 247 L N -0.587 120.515 121.223 -0.203 0.000 2.610 247 L HA 0.086 4.426 4.340 0.000 0.000 0.232 247 L C 1.197 177.990 176.870 -0.128 0.000 1.149 247 L CA 0.667 55.377 54.840 -0.217 0.000 0.872 247 L CB 0.140 41.984 42.059 -0.358 0.000 0.992 247 L HN 0.516 nan 8.230 nan 0.000 0.447 248 G N -0.576 108.166 108.800 -0.097 0.000 2.192 248 G HA2 -0.168 3.792 3.960 0.000 0.000 0.193 248 G HA3 -0.168 3.792 3.960 0.000 0.000 0.193 248 G C 0.293 175.155 174.900 -0.063 0.000 0.999 248 G CA -0.208 44.850 45.100 -0.071 0.000 0.659 248 G HN 0.385 nan 8.290 nan 0.000 0.503 249 A N 1.202 123.985 122.820 -0.062 0.000 2.409 249 A HA 0.704 5.024 4.320 0.000 0.000 0.267 249 A C -1.776 175.792 177.584 -0.026 0.000 1.127 249 A CA -0.929 51.082 52.037 -0.044 0.000 0.795 249 A CB 0.254 19.233 19.000 -0.036 0.000 1.061 249 A HN 0.135 nan 8.150 nan 0.000 0.502 250 P HA 0.226 nan 4.420 nan 0.000 0.271 250 P C 0.880 178.184 177.300 0.007 0.000 1.216 250 P CA 0.339 63.434 63.100 -0.010 0.000 0.776 250 P CB 1.007 32.701 31.700 -0.010 0.000 0.881 251 A N 2.902 125.728 122.820 0.009 0.000 1.948 251 A HA -0.208 4.112 4.320 0.000 0.000 0.220 251 A C 2.020 179.625 177.584 0.036 0.000 1.177 251 A CA 2.342 54.393 52.037 0.023 0.000 0.636 251 A CB -1.721 17.288 19.000 0.015 0.000 0.815 251 A HN 0.616 nan 8.150 nan 0.000 0.449 252 S N -1.087 114.628 115.700 0.026 0.000 2.547 252 S HA -0.004 4.466 4.470 0.000 0.000 0.235 252 S C 1.291 175.920 174.600 0.049 0.000 0.980 252 S CA 1.280 59.498 58.200 0.029 0.000 0.941 252 S CB -0.147 63.061 63.200 0.012 0.000 0.763 252 S HN 0.623 nan 8.310 nan 0.000 0.532 253 K N -0.275 120.160 120.400 0.058 0.000 2.374 253 K HA 0.348 4.668 4.320 0.000 0.000 0.202 253 K C -0.670 176.003 176.600 0.122 0.000 1.040 253 K CA -0.289 56.056 56.287 0.095 0.000 1.085 253 K CB 0.411 32.950 32.500 0.065 0.000 0.873 253 K HN 0.243 nan 8.250 nan 0.000 0.539 254 L N 1.858 123.137 121.223 0.094 0.000 2.264 254 L HA 0.270 4.611 4.340 0.000 0.000 0.289 254 L C -0.915 176.023 176.870 0.114 0.000 1.044 254 L CA -0.514 54.389 54.840 0.105 0.000 0.807 254 L CB 1.433 43.540 42.059 0.080 0.000 1.192 254 L HN -0.260 nan 8.230 nan 0.000 0.425 255 V N 6.392 126.391 119.914 0.142 0.000 2.384 255 V HA 0.391 4.511 4.120 0.000 0.000 0.287 255 V C 0.266 176.454 176.094 0.158 0.000 1.020 255 V CA -0.553 61.820 62.300 0.121 0.000 0.850 255 V CB 1.472 33.347 31.823 0.087 0.000 0.987 255 V HN 0.813 nan 8.190 nan 0.000 0.436 256 M N 4.079 123.767 119.600 0.146 0.000 2.146 256 M HA 0.497 4.977 4.480 0.000 0.000 0.352 256 M C 0.727 177.148 176.300 0.202 0.000 1.343 256 M CA -0.106 55.294 55.300 0.167 0.000 1.115 256 M CB 0.609 33.306 32.600 0.162 0.000 1.657 256 M HN 0.815 nan 8.290 nan 0.000 0.471 257 G N 6.129 115.072 108.800 0.238 0.000 2.406 257 G HA2 0.505 4.465 3.960 0.000 0.000 0.251 257 G HA3 0.505 4.465 3.960 0.000 0.000 0.251 257 G C -0.747 174.382 174.900 0.382 0.000 1.271 257 G CA -0.523 44.803 45.100 0.377 0.000 0.859 257 G HN 0.803 nan 8.290 nan 0.000 0.540 258 I N 4.166 124.956 120.570 0.366 0.000 2.478 258 I HA 0.294 4.464 4.170 0.000 0.000 0.287 258 I C -2.232 173.985 176.117 0.166 0.000 1.042 258 I CA -2.244 59.191 61.300 0.224 0.000 1.067 258 I CB 3.263 41.337 38.000 0.124 0.000 1.233 258 I HN 0.337 nan 8.210 nan 0.000 0.431 259 P HA 0.177 nan 4.420 nan 0.000 0.282 259 P C 0.271 177.491 177.300 -0.133 0.000 1.249 259 P CA -0.227 62.722 63.100 -0.251 0.000 0.806 259 P CB 1.396 32.634 31.700 -0.771 0.000 0.984 260 T N -1.133 113.436 114.554 0.025 0.000 3.069 260 T HA 0.268 4.618 4.350 0.000 0.000 0.252 260 T C 0.538 175.342 174.700 0.174 0.000 1.053 260 T CA -0.223 61.919 62.100 0.071 0.000 0.964 260 T CB -0.788 68.163 68.868 0.138 0.000 1.005 260 T HN 0.382 nan 8.240 nan 0.000 0.532 261 F N 0.179 120.209 119.950 0.133 0.000 2.557 261 F HA 0.919 5.447 4.527 0.000 0.000 0.336 261 F C 0.161 176.041 175.800 0.134 0.000 1.058 261 F CA -1.814 56.242 58.000 0.093 0.000 0.988 261 F CB 0.831 39.844 39.000 0.023 0.000 1.275 261 F HN 0.049 nan 8.300 nan 0.000 0.488 262 G N 0.551 109.446 108.800 0.159 0.000 2.473 262 G HA2 0.630 4.590 3.960 0.000 0.000 0.321 262 G HA3 0.630 4.590 3.960 0.000 0.000 0.321 262 G C -1.410 173.420 174.900 -0.117 0.000 1.200 262 G CA -1.218 43.901 45.100 0.032 0.000 0.963 262 G HN 0.526 nan 8.290 nan 0.000 0.483 263 R N 0.420 120.733 120.500 -0.310 0.000 2.387 263 R HA 0.560 4.900 4.340 0.000 0.000 0.314 263 R C -0.027 175.996 176.300 -0.462 0.000 0.958 263 R CA -0.612 55.262 56.100 -0.376 0.000 0.846 263 R CB 1.317 31.380 30.300 -0.397 0.000 1.147 263 R HN 0.726 nan 8.270 nan 0.000 0.447 264 S N 1.947 117.305 115.700 -0.569 0.000 2.664 264 S HA 0.847 5.317 4.470 0.000 0.000 0.304 264 S C -0.528 173.572 174.600 -0.834 0.000 1.099 264 S CA -0.577 57.301 58.200 -0.536 0.000 1.003 264 S CB 1.414 64.442 63.200 -0.286 0.000 1.092 264 S HN 0.324 nan 8.310 nan 0.000 0.525 265 F N -0.798 119.219 119.950 0.111 0.000 2.626 265 F HA 0.524 5.051 4.527 0.000 0.000 0.311 265 F C 0.066 175.908 175.800 0.071 0.000 1.088 265 F CA -0.822 57.205 58.000 0.045 0.000 0.949 265 F CB 1.991 40.961 39.000 -0.050 0.000 1.322 265 F HN 0.498 nan 8.300 nan 0.000 0.461 266 T N 3.315 118.014 114.554 0.242 0.000 2.743 266 T HA 0.526 4.876 4.350 0.000 0.000 0.292 266 T C -0.062 174.711 174.700 0.122 0.000 0.972 266 T CA -0.502 61.696 62.100 0.164 0.000 0.967 266 T CB 0.276 69.209 68.868 0.109 0.000 0.926 266 T HN 0.298 nan 8.240 nan 0.000 0.459 267 L N 2.254 123.550 121.223 0.122 0.000 2.461 267 L HA 0.361 4.701 4.340 0.000 0.000 0.272 267 L C 1.344 178.234 176.870 0.034 0.000 1.197 267 L CA -0.395 54.478 54.840 0.055 0.000 0.836 267 L CB 0.437 42.556 42.059 0.099 0.000 1.105 267 L HN 0.754 nan 8.230 nan 0.000 0.477 268 A N 1.388 124.204 122.820 -0.006 0.000 2.390 268 A HA 0.299 4.619 4.320 0.000 0.000 0.232 268 A C 0.649 178.233 177.584 -0.001 0.000 1.233 268 A CA 0.557 52.592 52.037 -0.004 0.000 0.907 268 A CB 0.074 19.059 19.000 -0.025 0.000 0.967 268 A HN 0.755 nan 8.150 nan 0.000 0.512 269 S N -1.971 113.731 115.700 0.003 0.000 2.790 269 S HA 0.363 4.834 4.470 0.000 0.000 0.292 269 S C 0.797 175.413 174.600 0.026 0.000 1.197 269 S CA 0.460 58.665 58.200 0.008 0.000 0.851 269 S CB 0.456 63.650 63.200 -0.010 0.000 1.217 269 S HN 0.704 nan 8.310 nan 0.000 0.526 270 S N -0.465 115.251 115.700 0.027 0.000 2.522 270 S HA 0.119 4.589 4.470 0.000 0.000 0.227 270 S C 0.190 174.818 174.600 0.048 0.000 0.986 270 S CA 0.070 58.296 58.200 0.043 0.000 0.929 270 S CB -0.833 62.389 63.200 0.036 0.000 0.769 270 S HN 0.713 nan 8.310 nan 0.000 0.529 271 E N 1.921 122.136 120.200 0.025 0.000 2.344 271 E HA 0.258 4.609 4.350 0.000 0.000 0.270 271 E C 0.536 177.161 176.600 0.042 0.000 1.021 271 E CA 0.410 56.821 56.400 0.017 0.000 0.887 271 E CB 0.776 30.461 29.700 -0.025 0.000 0.997 271 E HN 0.529 nan 8.360 nan 0.000 0.429 272 T N -0.890 113.719 114.554 0.091 0.000 3.209 272 T HA 0.272 4.622 4.350 0.000 0.000 0.295 272 T C 0.669 175.528 174.700 0.265 0.000 0.977 272 T CA -0.312 61.922 62.100 0.222 0.000 0.922 272 T CB 0.439 69.492 68.868 0.309 0.000 1.152 272 T HN 0.392 nan 8.240 nan 0.000 0.527 273 G N 1.093 109.946 108.800 0.087 0.000 2.525 273 G HA2 0.541 4.501 3.960 0.000 0.000 0.287 273 G HA3 0.541 4.501 3.960 0.000 0.000 0.287 273 G C -0.409 174.439 174.900 -0.086 0.000 1.350 273 G CA -0.636 44.504 45.100 0.067 0.000 1.039 273 G HN 0.311 nan 8.290 nan 0.000 0.513 274 V N 0.543 120.409 119.914 -0.079 0.000 2.585 274 V HA 0.415 4.535 4.120 0.000 0.000 0.296 274 V C 1.552 177.501 176.094 -0.242 0.000 1.035 274 V CA 1.823 64.021 62.300 -0.171 0.000 1.084 274 V CB 0.479 32.279 31.823 -0.039 0.000 0.953 274 V HN 1.808 nan 8.190 nan 0.000 0.483 275 G N 3.638 112.207 108.800 -0.384 0.000 2.175 275 G HA2 -0.109 3.851 3.960 0.000 0.000 0.244 275 G HA3 -0.109 3.851 3.960 0.000 0.000 0.244 275 G C 0.405 175.126 174.900 -0.298 0.000 0.982 275 G CA 0.139 45.056 45.100 -0.305 0.000 0.641 275 G HN 1.497 nan 8.290 nan 0.000 0.527 276 A N 1.325 123.931 122.820 -0.357 0.000 2.445 276 A HA 0.639 4.959 4.320 0.000 0.000 0.242 276 A C -1.175 176.223 177.584 -0.310 0.000 1.075 276 A CA -0.428 51.441 52.037 -0.281 0.000 0.777 276 A CB 0.276 19.121 19.000 -0.258 0.000 1.013 276 A HN 0.278 nan 8.150 nan 0.000 0.493 277 P HA 0.307 nan 4.420 nan 0.000 0.271 277 P C -0.558 176.629 177.300 -0.188 0.000 1.216 277 P CA 0.390 63.379 63.100 -0.186 0.000 0.776 277 P CB 0.517 32.148 31.700 -0.115 0.000 0.881 278 I N -0.914 119.541 120.570 -0.191 0.000 3.002 278 I HA 0.503 4.674 4.170 0.000 0.000 0.310 278 I C 0.651 176.732 176.117 -0.061 0.000 1.087 278 I CA -0.967 60.254 61.300 -0.132 0.000 1.017 278 I CB 2.324 40.212 38.000 -0.187 0.000 1.226 278 I HN 0.199 nan 8.210 nan 0.000 0.443 279 S N 1.027 116.723 115.700 -0.006 0.000 2.539 279 S HA 0.714 5.184 4.470 0.000 0.000 0.221 279 S C 0.610 175.230 174.600 0.034 0.000 0.987 279 S CA 0.126 58.332 58.200 0.010 0.000 0.929 279 S CB 0.113 63.325 63.200 0.019 0.000 0.832 279 S HN 1.526 nan 8.310 nan 0.000 0.492 280 G N 1.492 110.330 108.800 0.063 0.000 2.345 280 G HA2 0.331 4.291 3.960 0.000 0.000 0.285 280 G HA3 0.331 4.291 3.960 0.000 0.000 0.285 280 G C -3.514 171.482 174.900 0.159 0.000 1.297 280 G CA -0.693 44.464 45.100 0.095 0.000 0.875 280 G HN 0.086 nan 8.290 nan 0.000 0.506 281 P HA 0.395 nan 4.420 nan 0.000 0.272 281 P C 0.760 178.083 177.300 0.039 0.000 1.240 281 P CA 0.578 63.720 63.100 0.069 0.000 0.791 281 P CB 0.588 32.294 31.700 0.010 0.000 0.978 282 G N 0.936 109.713 108.800 -0.038 0.000 2.606 282 G HA2 0.316 4.276 3.960 0.000 0.000 0.252 282 G HA3 0.316 4.276 3.960 0.000 0.000 0.252 282 G C 0.143 175.034 174.900 -0.014 0.000 1.206 282 G CA -0.816 44.276 45.100 -0.014 0.000 0.861 282 G HN 0.432 nan 8.290 nan 0.000 0.561 283 I N 2.364 122.942 120.570 0.014 0.000 2.648 283 I HA 0.077 4.247 4.170 0.000 0.000 0.284 283 I C -1.381 174.729 176.117 -0.011 0.000 1.153 283 I CA -1.196 60.114 61.300 0.016 0.000 1.426 283 I CB 0.971 39.000 38.000 0.048 0.000 1.381 283 I HN 0.290 nan 8.210 nan 0.000 0.571 284 P HA 0.053 nan 4.420 nan 0.000 0.269 284 P C -0.047 177.243 177.300 -0.016 0.000 1.209 284 P CA -0.219 62.867 63.100 -0.023 0.000 0.776 284 P CB 0.398 32.088 31.700 -0.015 0.000 0.876 285 G N 1.363 110.151 108.800 -0.021 0.000 2.539 285 G HA2 0.078 4.038 3.960 0.000 0.000 0.258 285 G HA3 0.078 4.038 3.960 0.000 0.000 0.258 285 G C 0.996 175.893 174.900 -0.005 0.000 1.202 285 G CA -0.559 44.540 45.100 -0.001 0.000 0.851 285 G HN 0.563 nan 8.290 nan 0.000 0.556 286 R N 0.422 120.898 120.500 -0.041 0.000 2.096 286 R HA -0.074 4.266 4.340 0.000 0.000 0.235 286 R C 1.504 177.605 176.300 -0.331 0.000 1.127 286 R CA 1.621 57.577 56.100 -0.240 0.000 0.968 286 R CB -0.187 29.852 30.300 -0.434 0.000 0.861 286 R HN 0.584 nan 8.270 nan 0.000 0.440 287 F N -0.843 119.177 119.950 0.117 0.000 2.437 287 F HA 0.063 4.590 4.527 0.000 0.000 0.288 287 F C 2.522 178.401 175.800 0.132 0.000 1.085 287 F CA 1.051 59.150 58.000 0.164 0.000 1.430 287 F CB -0.242 38.935 39.000 0.295 0.000 1.120 287 F HN 0.062 nan 8.300 nan 0.000 0.556 288 T N -2.626 112.072 114.554 0.240 0.000 3.067 288 T HA 0.006 4.356 4.350 0.000 0.000 0.261 288 T C 0.891 175.648 174.700 0.096 0.000 1.110 288 T CA 0.059 62.249 62.100 0.150 0.000 1.113 288 T CB -0.458 68.446 68.868 0.060 0.000 0.917 288 T HN 0.150 nan 8.240 nan 0.000 0.499 289 K N 1.472 121.909 120.400 0.062 0.000 3.177 289 K HA -0.198 4.122 4.320 0.000 0.000 0.266 289 K C -0.233 176.373 176.600 0.011 0.000 0.937 289 K CA 0.798 57.103 56.287 0.030 0.000 0.702 289 K CB -1.386 31.141 32.500 0.045 0.000 1.365 289 K HN 0.770 nan 8.250 nan 0.000 0.466 290 E N 0.213 120.406 120.200 -0.011 0.000 2.316 290 E HA 0.427 4.777 4.350 0.000 0.000 0.254 290 E C -0.705 175.861 176.600 -0.056 0.000 0.902 290 E CA -0.384 55.994 56.400 -0.038 0.000 0.801 290 E CB 1.245 30.912 29.700 -0.056 0.000 1.270 290 E HN 0.315 nan 8.360 nan 0.000 0.414 291 A N 2.785 125.577 122.820 -0.047 0.000 2.567 291 A HA 0.401 4.721 4.320 0.000 0.000 0.240 291 A C 1.304 178.839 177.584 -0.081 0.000 1.053 291 A CA 1.191 53.198 52.037 -0.050 0.000 0.755 291 A CB -0.347 18.637 19.000 -0.027 0.000 0.978 291 A HN 1.242 nan 8.150 nan 0.000 0.507 292 G N 1.806 110.538 108.800 -0.114 0.000 2.194 292 G HA2 -0.142 3.819 3.960 0.000 0.000 0.236 292 G HA3 -0.142 3.819 3.960 0.000 0.000 0.236 292 G C 0.327 175.101 174.900 -0.211 0.000 0.987 292 G CA 0.479 45.469 45.100 -0.183 0.000 0.635 292 G HN 1.397 nan 8.290 nan 0.000 0.520 293 T N 0.552 115.010 114.554 -0.159 0.000 2.900 293 T HA 0.741 5.091 4.350 0.000 0.000 0.295 293 T C -0.610 174.022 174.700 -0.113 0.000 1.044 293 T CA -0.420 61.599 62.100 -0.134 0.000 0.995 293 T CB 2.272 71.044 68.868 -0.161 0.000 1.072 293 T HN 0.467 nan 8.240 nan 0.000 0.473 294 L N 1.596 122.769 121.223 -0.083 0.000 2.493 294 L HA 0.718 5.058 4.340 0.000 0.000 0.265 294 L C 0.057 176.876 176.870 -0.086 0.000 0.954 294 L CA -1.244 53.522 54.840 -0.123 0.000 0.844 294 L CB 1.901 43.840 42.059 -0.199 0.000 1.302 294 L HN 0.790 nan 8.230 nan 0.000 0.405 295 A N 1.125 123.810 122.820 -0.225 0.000 2.346 295 A HA 0.165 4.485 4.320 0.000 0.000 0.252 295 A C 0.405 177.830 177.584 -0.266 0.000 1.089 295 A CA 0.143 52.012 52.037 -0.280 0.000 0.797 295 A CB 0.131 18.673 19.000 -0.763 0.000 1.047 295 A HN 0.765 nan 8.150 nan 0.000 0.494 296 Y N 1.024 121.209 120.300 -0.193 0.000 2.224 296 Y HA -0.305 4.246 4.550 0.000 0.000 0.289 296 Y C 2.026 177.839 175.900 -0.145 0.000 1.146 296 Y CA 2.745 60.784 58.100 -0.103 0.000 1.182 296 Y CB -0.660 37.824 38.460 0.040 0.000 0.983 296 Y HN 0.812 nan 8.280 nan 0.000 0.524 297 Y N -1.286 118.880 120.300 -0.223 0.000 2.352 297 Y HA -0.026 4.524 4.550 0.000 0.000 0.292 297 Y C 1.851 177.502 175.900 -0.415 0.000 1.136 297 Y CA 1.163 58.981 58.100 -0.471 0.000 1.227 297 Y CB -1.137 36.794 38.460 -0.881 0.000 0.991 297 Y HN 0.131 nan 8.280 nan 0.000 0.545 298 E N 0.825 120.703 120.200 -0.537 0.000 2.152 298 E HA -0.055 4.295 4.350 0.000 0.000 0.192 298 E C 2.043 178.557 176.600 -0.144 0.000 0.983 298 E CA 1.098 57.373 56.400 -0.208 0.000 0.818 298 E CB -0.144 29.426 29.700 -0.216 0.000 0.758 298 E HN 0.556 nan 8.360 nan 0.000 0.467 299 I N 0.620 121.018 120.570 -0.287 0.000 2.315 299 I HA -0.297 3.873 4.170 0.000 0.000 0.248 299 I C 2.237 178.202 176.117 -0.253 0.000 1.117 299 I CA 0.543 61.655 61.300 -0.314 0.000 1.404 299 I CB -0.178 37.522 38.000 -0.500 0.000 1.071 299 I HN 0.250 nan 8.210 nan 0.000 0.419 300 c N 0.633 119.016 118.600 -0.362 0.000 2.413 300 c HA -0.180 4.390 4.570 0.000 0.000 0.277 300 c C 2.416 176.486 174.090 -0.034 0.000 1.265 300 c CA 0.842 57.032 56.329 -0.232 0.000 1.752 300 c CB -1.009 41.365 42.510 -0.227 0.000 1.998 300 c HN 0.526 nan 8.230 nan 0.000 0.489 301 D N -0.196 120.239 120.400 0.059 0.000 2.117 301 D HA -0.099 4.541 4.640 0.000 0.000 0.198 301 D C 1.770 178.127 176.300 0.094 0.000 0.982 301 D CA 0.969 55.040 54.000 0.120 0.000 0.828 301 D CB -0.547 40.386 40.800 0.221 0.000 0.967 301 D HN 0.503 nan 8.370 nan 0.000 0.464 302 F N 1.539 121.454 119.950 -0.059 0.000 2.161 302 F HA -0.125 4.402 4.527 0.000 0.000 0.300 302 F C 2.081 177.837 175.800 -0.075 0.000 1.089 302 F CA 1.008 58.969 58.000 -0.065 0.000 1.282 302 F CB -0.198 38.739 39.000 -0.105 0.000 1.010 302 F HN -0.116 nan 8.300 nan 0.000 0.485 303 L N 0.053 121.286 121.223 0.016 0.000 2.265 303 L HA -0.138 4.202 4.340 0.000 0.000 0.215 303 L C 0.735 177.531 176.870 -0.122 0.000 1.117 303 L CA 0.645 55.444 54.840 -0.068 0.000 0.782 303 L CB -0.629 41.408 42.059 -0.037 0.000 0.914 303 L HN -0.055 nan 8.230 nan 0.000 0.441 304 R N 0.290 120.725 120.500 -0.108 0.000 2.343 304 R HA 0.246 4.586 4.340 0.000 0.000 0.326 304 R C 1.075 177.291 176.300 -0.141 0.000 1.055 304 R CA 0.721 56.765 56.100 -0.093 0.000 0.961 304 R CB 0.169 30.436 30.300 -0.055 0.000 0.978 304 R HN 0.264 nan 8.270 nan 0.000 0.443 305 G N 1.266 109.992 108.800 -0.124 0.000 2.194 305 G HA2 -0.288 3.672 3.960 0.000 0.000 0.236 305 G HA3 -0.288 3.672 3.960 0.000 0.000 0.236 305 G C 0.267 175.066 174.900 -0.167 0.000 0.987 305 G CA -0.099 44.923 45.100 -0.130 0.000 0.635 305 G HN 0.810 nan 8.290 nan 0.000 0.520 306 A N -0.398 122.289 122.820 -0.221 0.000 2.242 306 A HA 0.848 5.168 4.320 0.000 0.000 0.304 306 A C 0.358 177.878 177.584 -0.107 0.000 1.100 306 A CA 0.749 52.656 52.037 -0.218 0.000 0.860 306 A CB 0.830 19.622 19.000 -0.347 0.000 1.168 306 A HN 0.761 nan 8.150 nan 0.000 0.503 307 T N 0.584 115.102 114.554 -0.061 0.000 2.792 307 T HA 0.506 4.856 4.350 0.000 0.000 0.280 307 T C -0.622 173.959 174.700 -0.199 0.000 0.990 307 T CA -0.291 61.733 62.100 -0.127 0.000 0.960 307 T CB 1.195 70.017 68.868 -0.075 0.000 0.939 307 T HN 0.415 nan 8.240 nan 0.000 0.439 308 V N 4.875 124.613 119.914 -0.294 0.000 2.427 308 V HA 0.395 4.515 4.120 0.000 0.000 0.286 308 V C -0.259 175.470 176.094 -0.608 0.000 1.034 308 V CA -0.714 61.417 62.300 -0.281 0.000 0.893 308 V CB 0.958 32.734 31.823 -0.078 0.000 0.982 308 V HN 0.837 nan 8.190 nan 0.000 0.452 309 H N 4.461 123.234 119.070 -0.496 0.000 2.589 309 H HA 0.493 5.050 4.556 0.000 0.000 0.351 309 H C -0.521 174.535 175.328 -0.453 0.000 1.074 309 H CA -0.742 54.986 56.048 -0.533 0.000 1.203 309 H CB 1.962 31.191 29.762 -0.889 0.000 1.558 309 H HN 0.511 nan 8.280 nan 0.000 0.522 310 R N 2.927 123.350 120.500 -0.128 0.000 2.254 310 R HA 0.333 4.673 4.340 0.000 0.000 0.318 310 R C 0.150 176.450 176.300 0.001 0.000 1.031 310 R CA -0.667 55.384 56.100 -0.081 0.000 0.905 310 R CB 1.278 31.542 30.300 -0.060 0.000 1.050 310 R HN 0.468 nan 8.270 nan 0.000 0.456 311 I N 4.813 125.408 120.570 0.042 0.000 2.421 311 I HA -0.098 4.072 4.170 0.000 0.000 0.291 311 I C 1.996 178.140 176.117 0.047 0.000 1.089 311 I CA 0.026 61.389 61.300 0.105 0.000 1.354 311 I CB 0.475 38.558 38.000 0.140 0.000 1.413 311 I HN 0.617 nan 8.210 nan 0.000 0.513 312 L N 5.251 126.503 121.223 0.050 0.000 1.976 312 L HA -0.239 4.101 4.340 0.000 0.000 0.223 312 L C 2.287 179.170 176.870 0.023 0.000 1.081 312 L CA 2.226 57.083 54.840 0.028 0.000 0.784 312 L CB -0.421 41.654 42.059 0.025 0.000 0.896 312 L HN 0.865 nan 8.230 nan 0.000 0.438 313 G N -2.179 106.635 108.800 0.024 0.000 2.920 313 G HA2 -0.100 3.860 3.960 0.000 0.000 0.208 313 G HA3 -0.100 3.860 3.960 0.000 0.000 0.208 313 G C 1.257 176.205 174.900 0.080 0.000 1.159 313 G CA -0.014 45.098 45.100 0.021 0.000 0.784 313 G HN 0.479 nan 8.290 nan 0.000 0.535 314 Q N -1.026 118.812 119.800 0.063 0.000 2.246 314 Q HA 0.102 4.442 4.340 0.000 0.000 0.222 314 Q C 0.517 176.513 176.000 -0.007 0.000 0.851 314 Q CA -0.213 55.615 55.803 0.042 0.000 0.945 314 Q CB 0.607 29.317 28.738 -0.048 0.000 1.122 314 Q HN 0.171 nan 8.270 nan 0.000 0.508 315 Q N -0.527 119.281 119.800 0.015 0.000 2.494 315 Q HA -0.142 4.198 4.340 0.000 0.000 0.266 315 Q C -0.554 175.373 176.000 -0.122 0.000 1.053 315 Q CA 1.144 56.938 55.803 -0.015 0.000 1.029 315 Q CB -2.343 26.431 28.738 0.061 0.000 1.423 315 Q HN 0.375 nan 8.270 nan 0.000 0.516 316 V N -4.196 115.598 119.914 -0.200 0.000 3.114 316 V HA 0.953 5.073 4.120 0.000 0.000 0.308 316 V C -2.700 173.249 176.094 -0.242 0.000 1.168 316 V CA -2.147 59.964 62.300 -0.314 0.000 1.015 316 V CB 2.941 34.353 31.823 -0.685 0.000 1.050 316 V HN -0.081 nan 8.190 nan 0.000 0.433 317 P HA 0.587 nan 4.420 nan 0.000 0.285 317 P C -2.008 175.201 177.300 -0.153 0.000 1.280 317 P CA -0.388 62.556 63.100 -0.259 0.000 0.862 317 P CB 1.771 33.219 31.700 -0.420 0.000 1.153 318 Y N -1.449 118.757 120.300 -0.156 0.000 2.581 318 Y HA 0.854 5.405 4.550 0.000 0.000 0.345 318 Y C -1.583 174.294 175.900 -0.039 0.000 1.036 318 Y CA -1.633 56.307 58.100 -0.267 0.000 1.042 318 Y CB 1.010 38.943 38.460 -0.877 0.000 1.289 318 Y HN 0.598 nan 8.280 nan 0.000 0.471 319 A N 1.424 124.368 122.820 0.206 0.000 2.413 319 A HA 0.819 5.139 4.320 0.000 0.000 0.307 319 A C -0.964 176.822 177.584 0.337 0.000 1.087 319 A CA -0.582 51.613 52.037 0.263 0.000 0.750 319 A CB 1.829 21.067 19.000 0.396 0.000 1.296 319 A HN 0.989 nan 8.150 nan 0.000 0.423 320 T N 0.314 115.083 114.554 0.359 0.000 2.916 320 T HA 0.662 5.012 4.350 0.000 0.000 0.305 320 T C -1.434 173.414 174.700 0.247 0.000 1.119 320 T CA -0.534 61.818 62.100 0.420 0.000 1.008 320 T CB 1.066 70.202 68.868 0.446 0.000 1.129 320 T HN 0.832 nan 8.240 nan 0.000 0.480 321 K N 2.709 123.248 120.400 0.232 0.000 2.571 321 K HA 0.526 4.846 4.320 0.000 0.000 0.252 321 K C 0.487 177.149 176.600 0.104 0.000 0.956 321 K CA 0.209 56.498 56.287 0.003 0.000 0.822 321 K CB 0.963 33.217 32.500 -0.410 0.000 1.286 321 K HN 1.099 nan 8.250 nan 0.000 0.439 322 G N 3.494 112.345 108.800 0.086 0.000 2.596 322 G HA2 -0.403 3.557 3.960 0.000 0.000 0.295 322 G HA3 -0.403 3.557 3.960 0.000 0.000 0.295 322 G C 0.179 175.172 174.900 0.154 0.000 1.240 322 G CA 0.615 45.776 45.100 0.101 0.000 0.985 322 G HN 0.910 nan 8.290 nan 0.000 0.555 323 N N 1.278 120.068 118.700 0.151 0.000 2.362 323 N HA 0.101 4.841 4.740 0.000 0.000 0.204 323 N C 0.321 175.966 175.510 0.226 0.000 1.166 323 N CA 0.788 53.936 53.050 0.163 0.000 0.831 323 N CB 0.301 38.858 38.487 0.116 0.000 1.008 323 N HN 0.615 nan 8.380 nan 0.000 0.472 324 Q N -0.079 119.908 119.800 0.310 0.000 2.306 324 Q HA 0.338 4.678 4.340 0.000 0.000 0.265 324 Q C -1.501 174.823 176.000 0.540 0.000 1.022 324 Q CA -0.374 55.662 55.803 0.388 0.000 0.853 324 Q CB 2.105 31.107 28.738 0.440 0.000 1.327 324 Q HN 0.440 nan 8.270 nan 0.000 0.449 325 W N 2.020 123.457 121.300 0.228 0.000 3.042 325 W HA 0.561 5.221 4.660 0.000 0.000 0.337 325 W C -1.681 174.920 176.519 0.138 0.000 1.086 325 W CA -0.719 56.787 57.345 0.269 0.000 1.236 325 W CB 1.280 30.900 29.460 0.266 0.000 1.381 325 W HN 0.366 nan 8.180 nan 0.000 0.472 326 V N 6.207 126.227 119.914 0.176 0.000 2.686 326 V HA 0.857 4.977 4.120 0.000 0.000 0.306 326 V C -0.415 175.703 176.094 0.041 0.000 1.065 326 V CA -0.442 61.897 62.300 0.064 0.000 0.894 326 V CB 1.600 33.250 31.823 -0.288 0.000 1.004 326 V HN 0.714 nan 8.190 nan 0.000 0.424 327 G N 5.972 114.852 108.800 0.133 0.000 2.335 327 G HA2 0.648 4.608 3.960 0.000 0.000 0.316 327 G HA3 0.648 4.608 3.960 0.000 0.000 0.316 327 G C -1.181 173.700 174.900 -0.032 0.000 1.129 327 G CA -0.142 44.908 45.100 -0.083 0.000 0.899 327 G HN 1.234 nan 8.290 nan 0.000 0.448 328 Y N -0.678 119.616 120.300 -0.009 0.000 2.829 328 Y HA 0.696 5.246 4.550 0.000 0.000 0.322 328 Y C -1.101 174.947 175.900 0.246 0.000 1.357 328 Y CA -1.859 56.313 58.100 0.120 0.000 1.081 328 Y CB 0.984 39.513 38.460 0.115 0.000 1.339 328 Y HN 0.328 nan 8.280 nan 0.000 0.469 329 D N 1.137 121.633 120.400 0.160 0.000 2.362 329 D HA 0.315 4.955 4.640 0.000 0.000 0.247 329 D C -1.417 174.920 176.300 0.061 0.000 1.050 329 D CA -0.173 53.824 54.000 -0.005 0.000 0.839 329 D CB 2.291 43.073 40.800 -0.029 0.000 1.283 329 D HN 0.709 nan 8.370 nan 0.000 0.477 330 D N -0.241 120.152 120.400 -0.010 0.000 2.687 330 D HA 0.101 4.741 4.640 0.000 0.000 0.264 330 D C 0.863 177.153 176.300 -0.017 0.000 1.091 330 D CA -0.421 53.622 54.000 0.071 0.000 1.123 330 D CB 0.675 41.641 40.800 0.277 0.000 1.407 330 D HN 0.124 nan 8.370 nan 0.000 0.591 331 Q N -0.563 119.253 119.800 0.027 0.000 2.096 331 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 331 Q C 1.690 177.696 176.000 0.010 0.000 0.982 331 Q CA 1.793 57.605 55.803 0.014 0.000 0.850 331 Q CB -0.012 28.758 28.738 0.053 0.000 0.901 331 Q HN 0.678 nan 8.270 nan 0.000 0.422 332 E N 0.262 120.471 120.200 0.016 0.000 2.072 332 E HA -0.173 4.178 4.350 0.000 0.000 0.191 332 E C 2.023 178.612 176.600 -0.017 0.000 0.985 332 E CA 1.409 57.811 56.400 0.003 0.000 0.801 332 E CB 0.088 29.790 29.700 0.004 0.000 0.750 332 E HN 0.353 nan 8.360 nan 0.000 0.452 333 S N 0.199 115.875 115.700 -0.040 0.000 2.414 333 S HA -0.111 4.359 4.470 0.000 0.000 0.227 333 S C 2.215 176.784 174.600 -0.052 0.000 1.022 333 S CA 0.989 59.151 58.200 -0.063 0.000 0.958 333 S CB -0.451 62.681 63.200 -0.114 0.000 0.797 333 S HN 0.291 nan 8.310 nan 0.000 0.493 334 V N 0.372 120.260 119.914 -0.043 0.000 2.626 334 V HA 0.013 4.133 4.120 0.000 0.000 0.252 334 V C 2.466 178.551 176.094 -0.015 0.000 1.067 334 V CA 1.831 64.113 62.300 -0.030 0.000 1.081 334 V CB -1.068 30.736 31.823 -0.031 0.000 0.686 334 V HN 0.506 nan 8.190 nan 0.000 0.468 335 K N 0.731 121.125 120.400 -0.011 0.000 2.057 335 K HA -0.145 4.176 4.320 0.000 0.000 0.207 335 K C 2.316 178.920 176.600 0.007 0.000 1.049 335 K CA 1.817 58.103 56.287 -0.002 0.000 0.931 335 K CB -0.252 32.251 32.500 0.005 0.000 0.714 335 K HN 0.541 nan 8.250 nan 0.000 0.440 336 S N 0.949 116.655 115.700 0.008 0.000 2.383 336 S HA -0.072 4.398 4.470 0.000 0.000 0.227 336 S C 1.672 176.299 174.600 0.044 0.000 1.026 336 S CA 1.195 59.414 58.200 0.032 0.000 0.981 336 S CB -0.056 63.159 63.200 0.025 0.000 0.818 336 S HN 0.338 nan 8.310 nan 0.000 0.472 337 K N 0.593 120.994 120.400 0.002 0.000 2.097 337 K HA -0.021 4.299 4.320 0.000 0.000 0.206 337 K C 1.962 178.605 176.600 0.072 0.000 1.049 337 K CA 1.009 57.300 56.287 0.007 0.000 0.933 337 K CB -0.252 32.230 32.500 -0.031 0.000 0.717 337 K HN 0.168 nan 8.250 nan 0.000 0.442 338 V N 1.443 121.371 119.914 0.023 0.000 2.358 338 V HA -0.238 3.882 4.120 0.000 0.000 0.246 338 V C 2.235 178.315 176.094 -0.023 0.000 1.047 338 V CA 1.581 63.867 62.300 -0.024 0.000 1.035 338 V CB -0.387 31.399 31.823 -0.062 0.000 0.658 338 V HN 0.337 nan 8.190 nan 0.000 0.452 339 Q N -1.193 118.618 119.800 0.018 0.000 2.096 339 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 339 Q C 2.175 178.211 176.000 0.060 0.000 0.982 339 Q CA 2.445 58.265 55.803 0.029 0.000 0.850 339 Q CB -0.318 28.453 28.738 0.055 0.000 0.901 339 Q HN 0.800 nan 8.270 nan 0.000 0.422 340 Y N 1.491 121.788 120.300 -0.005 0.000 2.128 340 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 340 Y C 1.981 177.881 175.900 -0.000 0.000 1.154 340 Y CA 1.782 59.890 58.100 0.013 0.000 1.149 340 Y CB -0.245 38.198 38.460 -0.029 0.000 0.976 340 Y HN 0.196 nan 8.280 nan 0.000 0.505 341 L N -0.318 120.938 121.223 0.055 0.000 2.141 341 L HA -0.010 4.330 4.340 0.000 0.000 0.209 341 L C 1.944 178.760 176.870 -0.091 0.000 1.094 341 L CA 1.717 56.537 54.840 -0.034 0.000 0.763 341 L CB -0.902 41.188 42.059 0.051 0.000 0.908 341 L HN -0.056 nan 8.230 nan 0.000 0.437 342 K N 0.185 120.516 120.400 -0.115 0.000 2.057 342 K HA -0.112 4.208 4.320 0.000 0.000 0.206 342 K C 1.752 178.343 176.600 -0.015 0.000 1.050 342 K CA 1.459 57.703 56.287 -0.071 0.000 0.935 342 K CB -0.281 32.144 32.500 -0.125 0.000 0.715 342 K HN 0.355 nan 8.250 nan 0.000 0.439 343 D N 0.359 120.716 120.400 -0.071 0.000 2.178 343 D HA -0.120 4.520 4.640 0.000 0.000 0.201 343 D C 1.564 177.798 176.300 -0.110 0.000 0.980 343 D CA 0.942 54.897 54.000 -0.074 0.000 0.842 343 D CB 0.062 40.813 40.800 -0.082 0.000 0.948 343 D HN 0.035 nan 8.370 nan 0.000 0.472 344 R N 0.431 120.816 120.500 -0.191 0.000 2.310 344 R HA 0.093 4.433 4.340 0.000 0.000 0.202 344 R C 0.199 176.465 176.300 -0.057 0.000 0.933 344 R CA 0.021 56.018 56.100 -0.171 0.000 1.054 344 R CB 0.006 30.125 30.300 -0.302 0.000 0.985 344 R HN 0.333 nan 8.270 nan 0.000 0.489 345 Q N 0.717 120.519 119.800 0.003 0.000 2.453 345 Q HA -0.183 4.157 4.340 0.000 0.000 0.294 345 Q C -0.432 175.621 176.000 0.087 0.000 1.295 345 Q CA 0.497 56.344 55.803 0.073 0.000 0.853 345 Q CB -1.862 26.897 28.738 0.034 0.000 1.193 345 Q HN 0.341 nan 8.270 nan 0.000 0.461 346 L N -1.051 120.230 121.223 0.097 0.000 2.475 346 L HA 0.295 4.635 4.340 0.000 0.000 0.253 346 L C 1.695 178.669 176.870 0.173 0.000 1.198 346 L CA 0.457 55.358 54.840 0.101 0.000 0.814 346 L CB 0.141 42.249 42.059 0.083 0.000 1.134 346 L HN 0.303 nan 8.230 nan 0.000 0.478 347 A N 0.524 123.419 122.820 0.125 0.000 2.067 347 A HA 0.328 4.648 4.320 0.000 0.000 0.219 347 A C 0.941 178.633 177.584 0.181 0.000 1.158 347 A CA 1.327 53.431 52.037 0.113 0.000 0.661 347 A CB -0.389 18.639 19.000 0.046 0.000 0.801 347 A HN 1.005 nan 8.150 nan 0.000 0.452 348 G N -2.915 105.983 108.800 0.163 0.000 2.350 348 G HA2 0.561 4.521 3.960 0.000 0.000 0.276 348 G HA3 0.561 4.521 3.960 0.000 0.000 0.276 348 G C -0.833 174.099 174.900 0.053 0.000 1.313 348 G CA -0.156 45.017 45.100 0.122 0.000 0.903 348 G HN 1.244 nan 8.290 nan 0.000 0.490 349 A N -0.398 122.444 122.820 0.037 0.000 2.356 349 A HA 0.878 5.198 4.320 0.000 0.000 0.323 349 A C -0.174 177.468 177.584 0.095 0.000 1.119 349 A CA -0.448 51.630 52.037 0.069 0.000 0.790 349 A CB 1.841 20.873 19.000 0.053 0.000 1.273 349 A HN 1.486 nan 8.150 nan 0.000 0.452 350 M N 2.145 121.852 119.600 0.178 0.000 2.465 350 M HA 0.633 5.113 4.480 0.000 0.000 0.316 350 M C -2.056 174.434 176.300 0.316 0.000 1.121 350 M CA -0.564 54.894 55.300 0.263 0.000 0.934 350 M CB 1.661 34.489 32.600 0.380 0.000 1.692 350 M HN 0.397 nan 8.290 nan 0.000 0.444 351 V N 4.916 125.027 119.914 0.329 0.000 2.444 351 V HA 0.439 4.559 4.120 0.000 0.000 0.294 351 V C -1.252 175.065 176.094 0.372 0.000 1.022 351 V CA -0.643 61.835 62.300 0.296 0.000 0.850 351 V CB 1.979 33.903 31.823 0.168 0.000 0.992 351 V HN 0.857 nan 8.190 nan 0.000 0.426 352 W N 6.176 127.604 121.300 0.212 0.000 2.336 352 W HA 0.801 5.461 4.660 0.000 0.000 0.315 352 W C -0.537 176.089 176.519 0.179 0.000 1.016 352 W CA -0.503 56.943 57.345 0.168 0.000 1.318 352 W CB 1.592 31.089 29.460 0.061 0.000 1.247 352 W HN 0.695 nan 8.180 nan 0.000 0.414 353 A N 5.062 127.845 122.820 -0.061 0.000 2.594 353 A HA 0.445 4.765 4.320 0.000 0.000 0.291 353 A C 0.206 177.727 177.584 -0.106 0.000 1.105 353 A CA -0.648 51.151 52.037 -0.396 0.000 0.694 353 A CB 1.319 19.678 19.000 -1.067 0.000 1.291 353 A HN 0.585 nan 8.150 nan 0.000 0.410 354 L N -0.054 121.128 121.223 -0.069 0.000 2.079 354 L HA -0.207 4.134 4.340 0.000 0.000 0.210 354 L C 1.915 178.901 176.870 0.193 0.000 1.081 354 L CA 2.390 57.314 54.840 0.140 0.000 0.752 354 L CB -0.504 41.618 42.059 0.104 0.000 0.896 354 L HN 1.003 nan 8.230 nan 0.000 0.433 355 D N -0.755 119.605 120.400 -0.066 0.000 2.363 355 D HA -0.121 4.520 4.640 0.000 0.000 0.220 355 D C 1.828 178.212 176.300 0.139 0.000 0.994 355 D CA 0.629 54.535 54.000 -0.157 0.000 0.890 355 D CB -0.093 40.463 40.800 -0.406 0.000 0.906 355 D HN 0.327 nan 8.370 nan 0.000 0.530 356 L N -0.602 120.711 121.223 0.150 0.000 2.590 356 L HA 0.195 4.535 4.340 0.000 0.000 0.227 356 L C 0.949 178.007 176.870 0.313 0.000 1.099 356 L CA -0.251 54.715 54.840 0.212 0.000 0.872 356 L CB -0.028 42.126 42.059 0.159 0.000 1.088 356 L HN 0.037 nan 8.230 nan 0.000 0.479 357 D N 0.554 121.165 120.400 0.352 0.000 2.377 357 D HA -0.043 4.597 4.640 0.000 0.000 0.245 357 D C -0.270 176.265 176.300 0.392 0.000 1.196 357 D CA -0.169 54.051 54.000 0.366 0.000 0.962 357 D CB 0.969 42.001 40.800 0.386 0.000 1.127 357 D HN -0.136 nan 8.370 nan 0.000 0.471 358 D N 1.003 121.580 120.400 0.296 0.000 2.498 358 D HA -0.015 4.625 4.640 0.000 0.000 0.229 358 D C 1.002 177.117 176.300 -0.308 0.000 1.188 358 D CA -0.329 53.694 54.000 0.039 0.000 1.028 358 D CB -0.919 39.953 40.800 0.119 0.000 1.087 358 D HN 0.338 nan 8.370 nan 0.000 0.510 359 F N 1.034 120.689 119.950 -0.492 0.000 2.293 359 F HA -0.036 4.491 4.527 0.000 0.000 0.300 359 F C 1.688 177.102 175.800 -0.642 0.000 1.086 359 F CA 0.500 57.850 58.000 -1.083 0.000 1.375 359 F CB -0.388 38.183 39.000 -0.715 0.000 1.045 359 F HN 0.140 nan 8.300 nan 0.000 0.516 360 Q N 1.159 120.322 119.800 -1.063 0.000 2.245 360 Q HA 0.104 4.444 4.340 0.000 0.000 0.201 360 Q C 2.097 177.907 176.000 -0.316 0.000 0.955 360 Q CA 1.155 56.595 55.803 -0.605 0.000 0.870 360 Q CB -0.546 27.820 28.738 -0.620 0.000 0.945 360 Q HN 0.745 nan 8.270 nan 0.000 0.461 361 G N 1.016 109.650 108.800 -0.277 0.000 2.162 361 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 361 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 361 G C 0.950 175.799 174.900 -0.085 0.000 0.976 361 G CA 0.904 45.929 45.100 -0.126 0.000 0.655 361 G HN 0.482 nan 8.290 nan 0.000 0.533 362 S N -1.267 114.361 115.700 -0.120 0.000 2.524 362 S HA 0.454 4.924 4.470 0.000 0.000 0.215 362 S C 1.544 175.987 174.600 -0.261 0.000 0.986 362 S CA 0.719 58.794 58.200 -0.208 0.000 0.911 362 S CB -0.106 62.887 63.200 -0.346 0.000 0.805 362 S HN 0.249 nan 8.310 nan 0.000 0.501 363 F N 0.948 120.801 119.950 -0.161 0.000 2.656 363 F HA 0.345 4.872 4.527 0.000 0.000 0.291 363 F C 1.492 177.243 175.800 -0.083 0.000 1.122 363 F CA -0.561 57.374 58.000 -0.107 0.000 1.427 363 F CB -0.062 38.886 39.000 -0.086 0.000 1.125 363 F HN 0.251 nan 8.300 nan 0.000 0.583 364 c N 0.734 119.400 118.600 0.109 0.000 2.404 364 c HA 0.501 5.071 4.570 0.000 0.000 0.325 364 c C 1.950 176.063 174.090 0.038 0.000 1.363 364 c CA -0.180 56.181 56.329 0.052 0.000 1.775 364 c CB -1.328 41.230 42.510 0.080 0.000 2.254 364 c HN 0.772 nan 8.230 nan 0.000 0.568 365 G N 1.374 110.180 108.800 0.010 0.000 2.243 365 G HA2 -0.313 3.647 3.960 0.000 0.000 0.276 365 G HA3 -0.313 3.647 3.960 0.000 0.000 0.276 365 G C 0.989 175.891 174.900 0.005 0.000 0.997 365 G CA 0.953 46.050 45.100 -0.005 0.000 0.693 365 G HN 0.585 nan 8.290 nan 0.000 0.529 366 Q N -0.468 119.345 119.800 0.020 0.000 2.247 366 Q HA 0.142 4.482 4.340 0.000 0.000 0.211 366 Q C 1.150 177.160 176.000 0.017 0.000 0.861 366 Q CA 0.606 56.425 55.803 0.027 0.000 0.949 366 Q CB 0.348 29.117 28.738 0.052 0.000 1.115 366 Q HN 0.628 nan 8.270 nan 0.000 0.507 367 D N 0.142 120.542 120.400 0.000 0.000 3.046 367 D HA -0.199 4.441 4.640 0.000 0.000 0.210 367 D C -0.074 176.229 176.300 0.005 0.000 1.124 367 D CA 0.841 54.834 54.000 -0.011 0.000 0.986 367 D CB -1.293 39.501 40.800 -0.010 0.000 1.118 367 D HN 0.297 nan 8.370 nan 0.000 0.416 368 L N -1.715 119.523 121.223 0.025 0.000 2.313 368 L HA 0.583 4.923 4.340 0.000 0.000 0.283 368 L C 0.444 177.340 176.870 0.045 0.000 1.013 368 L CA -0.845 54.024 54.840 0.047 0.000 0.816 368 L CB 1.484 43.585 42.059 0.070 0.000 1.236 368 L HN -0.245 nan 8.230 nan 0.000 0.419 369 R N 2.386 122.912 120.500 0.045 0.000 2.643 369 R HA 0.303 4.643 4.340 0.000 0.000 0.270 369 R C -0.684 175.695 176.300 0.133 0.000 1.061 369 R CA -0.417 55.666 56.100 -0.028 0.000 1.107 369 R CB 0.043 30.357 30.300 0.024 0.000 0.999 369 R HN 0.740 nan 8.270 nan 0.000 0.460 370 F N 0.454 120.485 119.950 0.135 0.000 2.866 370 F HA -0.169 4.358 4.527 0.000 0.000 0.254 370 F C -1.257 174.609 175.800 0.110 0.000 1.009 370 F CA 0.036 58.118 58.000 0.137 0.000 0.907 370 F CB -1.180 37.892 39.000 0.118 0.000 0.859 370 F HN 0.575 nan 8.300 nan 0.000 0.842 371 P HA -0.187 nan 4.420 nan 0.000 0.216 371 P C 1.786 179.150 177.300 0.107 0.000 1.153 371 P CA 1.612 64.816 63.100 0.174 0.000 0.848 371 P CB 0.281 32.110 31.700 0.216 0.000 0.787 372 L N -0.782 120.466 121.223 0.042 0.000 2.072 372 L HA -0.069 4.271 4.340 0.000 0.000 0.205 372 L C 2.632 179.525 176.870 0.038 0.000 1.079 372 L CA 1.829 56.635 54.840 -0.058 0.000 0.752 372 L CB -1.610 40.312 42.059 -0.229 0.000 0.906 372 L HN 0.001 nan 8.230 nan 0.000 0.436 373 T N -0.645 113.982 114.554 0.122 0.000 2.821 373 T HA -0.119 4.231 4.350 0.000 0.000 0.267 373 T C 1.738 176.492 174.700 0.089 0.000 1.046 373 T CA 1.054 63.219 62.100 0.108 0.000 1.139 373 T CB -0.213 68.730 68.868 0.125 0.000 0.871 373 T HN 0.271 nan 8.240 nan 0.000 0.454 374 N N 1.203 119.980 118.700 0.128 0.000 2.188 374 N HA 0.027 4.767 4.740 0.000 0.000 0.184 374 N C 2.161 177.712 175.510 0.068 0.000 1.018 374 N CA 1.139 54.250 53.050 0.102 0.000 0.858 374 N CB -0.297 38.269 38.487 0.132 0.000 0.989 374 N HN 0.415 nan 8.380 nan 0.000 0.426 375 A N 1.154 124.010 122.820 0.059 0.000 1.933 375 A HA -0.052 4.268 4.320 0.000 0.000 0.218 375 A C 2.286 179.884 177.584 0.023 0.000 1.175 375 A CA 0.777 52.836 52.037 0.037 0.000 0.628 375 A CB -0.489 18.526 19.000 0.025 0.000 0.814 375 A HN 0.188 nan 8.150 nan 0.000 0.444 376 I N -0.617 119.966 120.570 0.023 0.000 2.202 376 I HA -0.243 3.927 4.170 0.000 0.000 0.242 376 I C 2.532 178.654 176.117 0.009 0.000 1.091 376 I CA 1.732 63.039 61.300 0.011 0.000 1.368 376 I CB -0.232 37.781 38.000 0.021 0.000 1.058 376 I HN 0.369 nan 8.210 nan 0.000 0.410 377 K N 0.990 121.405 120.400 0.026 0.000 2.032 377 K HA -0.250 4.070 4.320 0.000 0.000 0.209 377 K C 1.642 178.259 176.600 0.029 0.000 1.048 377 K CA 2.159 58.465 56.287 0.032 0.000 0.927 377 K CB -0.084 32.441 32.500 0.041 0.000 0.712 377 K HN 0.222 nan 8.250 nan 0.000 0.441 378 D N 0.225 120.643 120.400 0.030 0.000 2.144 378 D HA -0.122 4.518 4.640 0.000 0.000 0.199 378 D C 1.750 178.059 176.300 0.015 0.000 0.984 378 D CA 1.326 55.342 54.000 0.027 0.000 0.834 378 D CB -0.205 40.613 40.800 0.030 0.000 0.955 378 D HN 0.380 nan 8.370 nan 0.000 0.465 379 A N 0.417 123.237 122.820 0.001 0.000 1.969 379 A HA -0.062 4.258 4.320 0.000 0.000 0.218 379 A C 2.319 179.873 177.584 -0.050 0.000 1.169 379 A CA 0.680 52.706 52.037 -0.017 0.000 0.635 379 A CB -0.632 18.354 19.000 -0.023 0.000 0.810 379 A HN 0.193 nan 8.150 nan 0.000 0.445 380 L N -0.992 120.192 121.223 -0.065 0.000 2.141 380 L HA -0.139 4.201 4.340 0.000 0.000 0.209 380 L C 2.958 179.845 176.870 0.029 0.000 1.094 380 L CA 0.979 55.741 54.840 -0.130 0.000 0.763 380 L CB -0.346 41.662 42.059 -0.085 0.000 0.908 380 L HN 0.433 nan 8.230 nan 0.000 0.437 381 A N -0.366 122.487 122.820 0.055 0.000 2.016 381 A HA 0.039 4.359 4.320 0.000 0.000 0.217 381 A C 2.498 180.121 177.584 0.065 0.000 1.162 381 A CA 1.097 53.182 52.037 0.081 0.000 0.662 381 A CB -0.432 18.602 19.000 0.058 0.000 0.812 381 A HN 0.345 nan 8.150 nan 0.000 0.450 382 A N -1.442 121.403 122.820 0.041 0.000 1.940 382 A HA 0.353 4.674 4.320 0.000 0.000 0.219 382 A C 1.389 179.000 177.584 0.046 0.000 1.176 382 A CA 2.582 54.640 52.037 0.035 0.000 0.631 382 A CB -0.863 18.149 19.000 0.021 0.000 0.814 382 A HN 1.427 nan 8.150 nan 0.000 0.446 383 T N 0.000 114.590 114.554 0.060 0.000 3.816 383 T HA 0.000 4.350 4.350 0.000 0.000 0.228 383 T CA 0.000 nan 62.100 nan 0.000 1.349 383 T CB 0.000 nan 68.868 nan 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658