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_A 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 0.000 175.894 175.900 -0.010 0.000 1.272 22 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 22 Y CB 0.000 38.458 38.460 -0.004 0.000 1.050 23 K N 1.616 122.093 120.400 0.129 0.000 2.110 23 K HA 0.700 5.020 4.320 0.000 0.000 0.263 23 K C -1.546 175.068 176.600 0.023 0.000 0.975 23 K CA -1.030 55.270 56.287 0.023 0.000 0.895 23 K CB 1.838 34.201 32.500 -0.229 0.000 1.060 23 K HN 0.419 nan 8.250 nan 0.000 0.448 24 L N 3.136 124.383 121.223 0.039 0.000 2.442 24 L HA 0.279 4.619 4.340 0.000 0.000 0.261 24 L C -1.464 175.420 176.870 0.022 0.000 1.000 24 L CA -0.617 54.240 54.840 0.028 0.000 0.882 24 L CB 1.443 43.526 42.059 0.040 0.000 1.207 24 L HN 0.287 nan 8.230 nan 0.000 0.443 25 V N 4.176 124.074 119.914 -0.028 0.000 2.383 25 V HA 0.457 4.577 4.120 0.000 0.000 0.275 25 V C -0.160 175.948 176.094 0.023 0.000 1.036 25 V CA -0.289 61.988 62.300 -0.038 0.000 0.889 25 V CB 1.049 32.785 31.823 -0.144 0.000 0.985 25 V HN 0.850 nan 8.190 nan 0.000 0.459 26 c N 4.969 123.558 118.600 -0.018 0.000 2.441 26 c HA 0.601 5.171 4.570 0.000 0.000 0.318 26 c C -0.368 173.661 174.090 -0.101 0.000 1.222 26 c CA -1.300 55.028 56.329 -0.002 0.000 1.474 26 c CB 0.689 43.183 42.510 -0.026 0.000 2.125 26 c HN 0.751 nan 8.230 nan 0.000 0.479 27 Y N 1.268 121.537 120.300 -0.051 0.000 2.304 27 Y HA 0.436 4.986 4.550 0.000 0.000 0.328 27 Y C -0.012 175.669 175.900 -0.365 0.000 1.123 27 Y CA 0.134 58.108 58.100 -0.211 0.000 1.218 27 Y CB 0.620 38.841 38.460 -0.398 0.000 1.207 27 Y HN 0.717 nan 8.280 nan 0.000 0.495 28 Y N 2.955 123.056 120.300 -0.332 0.000 2.350 28 Y HA 0.462 5.011 4.550 -0.000 0.000 0.338 28 Y C -0.499 174.974 175.900 -0.712 0.000 0.961 28 Y CA -1.291 56.529 58.100 -0.466 0.000 1.100 28 Y CB 1.190 39.452 38.460 -0.331 0.000 1.179 28 Y HN 0.628 nan 8.280 nan 0.000 0.454 29 T N 1.491 114.944 114.554 -1.835 0.000 2.767 29 T HA 0.273 4.623 4.350 0.000 0.000 0.284 29 T C 0.933 174.422 174.700 -2.019 0.000 0.973 29 T CA -0.116 60.830 62.100 -1.922 0.000 0.996 29 T CB 1.270 68.746 68.868 -2.320 0.000 0.927 29 T HN 0.744 nan 8.240 nan 0.000 0.456 30 S N 1.974 116.881 115.700 -1.321 0.000 2.447 30 S HA -0.111 4.359 4.470 0.000 0.000 0.233 30 S C 1.539 175.899 174.600 -0.400 0.000 1.006 30 S CA 0.465 58.233 58.200 -0.720 0.000 0.957 30 S CB -0.951 62.086 63.200 -0.272 0.000 0.773 30 S HN 1.010 nan 8.310 nan 0.000 0.507 31 W N 2.691 123.822 121.300 -0.282 0.000 2.937 31 W HA 0.277 4.937 4.660 -0.000 0.000 0.245 31 W C 1.808 178.251 176.519 -0.128 0.000 1.306 31 W CA 0.256 57.577 57.345 -0.040 0.000 1.470 31 W CB -0.826 28.709 29.460 0.124 0.000 1.132 31 W HN 0.324 nan 8.180 nan 0.000 0.675 32 S N 1.095 116.400 115.700 -0.658 0.000 2.515 32 S HA -0.263 4.208 4.470 0.000 0.000 0.231 32 S C 1.778 176.164 174.600 -0.356 0.000 0.987 32 S CA 1.040 58.959 58.200 -0.469 0.000 0.936 32 S CB -0.821 61.989 63.200 -0.650 0.000 0.766 32 S HN 0.713 nan 8.310 nan 0.000 0.528 33 Q N -0.095 119.358 119.800 -0.578 0.000 2.226 33 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 33 Q C 1.087 176.859 176.000 -0.379 0.000 0.975 33 Q CA 1.253 56.557 55.803 -0.831 0.000 0.866 33 Q CB -0.818 27.099 28.738 -1.368 0.000 0.915 33 Q HN 0.684 nan 8.270 nan 0.000 0.440 34 Y N 1.161 121.486 120.300 0.042 0.000 2.546 34 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 34 Y C 0.557 176.565 175.900 0.181 0.000 1.158 34 Y CA -0.314 57.882 58.100 0.160 0.000 1.307 34 Y CB 0.011 38.588 38.460 0.195 0.000 1.036 34 Y HN -0.018 nan 8.280 nan 0.000 0.532 35 R N 1.646 122.316 120.500 0.284 0.000 2.623 35 R HA 0.043 4.383 4.340 0.000 0.000 0.271 35 R C 0.196 176.700 176.300 0.339 0.000 1.043 35 R CA -0.111 56.179 56.100 0.317 0.000 1.083 35 R CB 0.349 30.843 30.300 0.325 0.000 0.974 35 R HN 0.314 nan 8.270 nan 0.000 0.436 36 E N 0.826 121.239 120.200 0.356 0.000 2.415 36 E HA 0.021 4.371 4.350 0.000 0.000 0.262 36 E C 1.077 177.937 176.600 0.434 0.000 1.038 36 E CA 0.517 57.115 56.400 0.329 0.000 0.921 36 E CB 0.519 30.356 29.700 0.229 0.000 0.950 36 E HN 0.742 nan 8.360 nan 0.000 0.438 37 G N 3.634 112.628 108.800 0.323 0.000 2.684 37 G HA2 -0.422 3.538 3.960 0.000 0.000 0.332 37 G HA3 -0.422 3.538 3.960 0.000 0.000 0.332 37 G C 0.584 175.629 174.900 0.242 0.000 1.306 37 G CA 0.650 45.928 45.100 0.296 0.000 1.002 37 G HN 0.720 nan 8.290 nan 0.000 0.545 38 D N 1.404 121.909 120.400 0.175 0.000 2.384 38 D HA 0.044 4.685 4.640 0.000 0.000 0.222 38 D C 2.330 178.472 176.300 -0.262 0.000 0.976 38 D CA 1.497 55.462 54.000 -0.058 0.000 0.915 38 D CB -0.818 39.920 40.800 -0.104 0.000 0.896 38 D HN 0.592 nan 8.370 nan 0.000 0.523 39 G N -0.178 108.499 108.800 -0.206 0.000 2.551 39 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 39 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 39 G C 0.793 175.834 174.900 0.235 0.000 1.137 39 G CA -0.018 45.013 45.100 -0.115 0.000 0.798 39 G HN 0.243 nan 8.290 nan 0.000 0.536 40 S N -0.276 115.577 115.700 0.255 0.000 2.525 40 S HA 0.244 4.714 4.470 0.000 0.000 0.285 40 S C -0.237 174.483 174.600 0.199 0.000 1.283 40 S CA -0.414 57.918 58.200 0.220 0.000 1.072 40 S CB 0.011 63.397 63.200 0.311 0.000 0.867 40 S HN 0.302 nan 8.310 nan 0.000 0.492 41 C N 7.339 126.571 119.300 -0.113 0.000 2.364 41 C HA 0.762 5.222 4.460 0.000 0.000 0.324 41 C C -0.995 173.848 174.990 -0.245 0.000 1.234 41 C CA -0.843 57.964 59.018 -0.352 0.000 1.417 41 C CB -0.804 26.416 27.740 -0.867 0.000 2.101 41 C HN 0.876 nan 8.230 nan 0.000 0.466 42 F N 5.229 125.094 119.950 -0.142 0.000 2.556 42 F HA 0.485 5.012 4.527 -0.000 0.000 0.327 42 F C -1.480 174.092 175.800 -0.381 0.000 1.059 42 F CA -1.910 55.986 58.000 -0.173 0.000 0.953 42 F CB 1.555 40.493 39.000 -0.103 0.000 1.227 42 F HN 0.356 nan 8.300 nan 0.000 0.478 43 P HA -0.171 nan 4.420 nan 0.000 0.219 43 P C 0.684 177.874 177.300 -0.184 0.000 1.146 43 P CA 1.401 64.219 63.100 -0.470 0.000 0.808 43 P CB -0.000 31.472 31.700 -0.379 0.000 0.779 44 D N -0.896 119.466 120.400 -0.063 0.000 2.378 44 D HA -0.037 4.604 4.640 0.000 0.000 0.227 44 D C 1.398 177.707 176.300 0.015 0.000 1.012 44 D CA 0.592 54.572 54.000 -0.035 0.000 0.905 44 D CB -0.861 39.920 40.800 -0.032 0.000 0.895 44 D HN 0.114 nan 8.370 nan 0.000 0.532 45 A N 0.110 122.957 122.820 0.044 0.000 2.218 45 A HA 0.245 4.565 4.320 0.000 0.000 0.209 45 A C 1.076 178.811 177.584 0.251 0.000 1.168 45 A CA -0.260 51.867 52.037 0.150 0.000 0.804 45 A CB -0.242 18.867 19.000 0.182 0.000 0.834 45 A HN 0.234 nan 8.150 nan 0.000 0.482 46 L N 0.471 121.759 121.223 0.109 0.000 2.395 46 L HA 0.247 4.588 4.340 0.000 0.000 0.269 46 L C -0.177 176.685 176.870 -0.012 0.000 1.133 46 L CA -0.754 54.123 54.840 0.061 0.000 0.812 46 L CB 0.618 42.597 42.059 -0.133 0.000 1.125 46 L HN 0.118 nan 8.230 nan 0.000 0.452 47 D N 1.873 122.195 120.400 -0.130 0.000 2.336 47 D HA 0.049 4.689 4.640 0.000 0.000 0.249 47 D C 1.258 177.450 176.300 -0.180 0.000 1.213 47 D CA -0.392 53.562 54.000 -0.077 0.000 0.870 47 D CB 0.941 41.713 40.800 -0.047 0.000 1.076 47 D HN 0.508 nan 8.370 nan 0.000 0.483 48 R N 2.840 123.198 120.500 -0.238 0.000 2.193 48 R HA -0.112 4.228 4.340 0.000 0.000 0.229 48 R C 0.629 176.655 176.300 -0.457 0.000 1.110 48 R CA 1.160 57.021 56.100 -0.400 0.000 0.988 48 R CB -0.337 29.621 30.300 -0.570 0.000 0.871 48 R HN 0.291 nan 8.270 nan 0.000 0.458 49 F N 0.049 119.963 119.950 -0.060 0.000 2.695 49 F HA 0.206 4.733 4.527 0.000 0.000 0.303 49 F C 1.495 177.261 175.800 -0.057 0.000 1.091 49 F CA -0.596 57.375 58.000 -0.048 0.000 1.300 49 F CB 0.224 39.209 39.000 -0.026 0.000 1.071 49 F HN -0.021 nan 8.300 nan 0.000 0.578 50 L N -0.447 120.789 121.223 0.022 0.000 2.023 50 L HA 0.009 4.349 4.340 0.000 0.000 0.205 50 L C 0.849 177.699 176.870 -0.033 0.000 1.073 50 L CA 1.400 56.217 54.840 -0.038 0.000 0.745 50 L CB -0.197 41.734 42.059 -0.213 0.000 0.900 50 L HN 0.054 nan 8.230 nan 0.000 0.435 51 c N -1.335 117.227 118.600 -0.063 0.000 2.401 51 c HA 0.483 5.053 4.570 0.000 0.000 0.356 51 c C 1.962 176.048 174.090 -0.007 0.000 1.192 51 c CA 0.041 56.353 56.329 -0.029 0.000 2.028 51 c CB 1.334 43.815 42.510 -0.049 0.000 2.344 51 c HN 0.608 nan 8.230 nan 0.000 0.525 52 T N -2.142 112.437 114.554 0.041 0.000 3.044 52 T HA 0.097 4.447 4.350 0.000 0.000 0.255 52 T C 0.090 174.717 174.700 -0.122 0.000 1.073 52 T CA 0.950 63.056 62.100 0.011 0.000 1.125 52 T CB -0.189 68.757 68.868 0.130 0.000 0.908 52 T HN 0.787 nan 8.240 nan 0.000 0.480 53 H N -0.331 118.712 119.070 -0.044 0.000 2.877 53 H HA 0.643 5.199 4.556 0.000 0.000 0.347 53 H C -1.194 174.110 175.328 -0.039 0.000 1.042 53 H CA -0.892 55.144 56.048 -0.019 0.000 1.276 53 H CB 1.415 31.175 29.762 -0.003 0.000 1.681 53 H HN 0.182 nan 8.280 nan 0.000 0.521 54 I N 4.186 124.801 120.570 0.074 0.000 2.406 54 I HA 0.353 4.523 4.170 0.000 0.000 0.290 54 I C -0.394 175.755 176.117 0.054 0.000 0.999 54 I CA -0.540 60.772 61.300 0.020 0.000 1.124 54 I CB 1.514 39.514 38.000 -0.000 0.000 1.289 54 I HN 0.408 nan 8.210 nan 0.000 0.441 55 I N 6.231 126.755 120.570 -0.076 0.000 2.362 55 I HA 0.234 4.404 4.170 0.000 0.000 0.289 55 I C -0.831 175.303 176.117 0.027 0.000 0.994 55 I CA -0.779 60.467 61.300 -0.091 0.000 1.158 55 I CB 1.387 39.086 38.000 -0.501 0.000 1.315 55 I HN 0.482 nan 8.210 nan 0.000 0.451 56 Y N 6.473 126.804 120.300 0.053 0.000 2.336 56 Y HA 0.343 4.893 4.550 0.000 0.000 0.335 56 Y C 0.225 176.123 175.900 -0.002 0.000 1.046 56 Y CA -0.154 58.018 58.100 0.121 0.000 1.198 56 Y CB 0.954 39.592 38.460 0.298 0.000 1.182 56 Y HN 0.625 nan 8.280 nan 0.000 0.502 57 S N 5.373 120.840 115.700 -0.389 0.000 2.521 57 S HA 0.739 5.209 4.470 0.000 0.000 0.295 57 S C -1.294 173.009 174.600 -0.496 0.000 1.098 57 S CA -0.734 57.108 58.200 -0.597 0.000 0.999 57 S CB 1.459 63.836 63.200 -1.372 0.000 1.034 57 S HN 0.469 nan 8.310 nan 0.000 0.483 58 F N 0.432 120.446 119.950 0.106 0.000 2.611 58 F HA 0.838 5.365 4.527 -0.000 0.000 0.324 58 F C 0.467 176.429 175.800 0.269 0.000 1.061 58 F CA -0.872 57.214 58.000 0.143 0.000 0.954 58 F CB 1.793 40.766 39.000 -0.045 0.000 1.301 58 F HN 0.902 nan 8.300 nan 0.000 0.482 59 A N 1.251 124.391 122.820 0.533 0.000 2.294 59 A HA 0.638 4.958 4.320 0.000 0.000 0.330 59 A C -0.682 177.243 177.584 0.568 0.000 1.133 59 A CA -0.499 51.841 52.037 0.505 0.000 0.836 59 A CB 0.897 20.073 19.000 0.294 0.000 1.190 59 A HN 0.700 nan 8.150 nan 0.000 0.492 60 N N -0.585 118.458 118.700 0.571 0.000 2.502 60 N HA 0.629 5.369 4.740 0.000 0.000 0.280 60 N C -1.170 174.492 175.510 0.252 0.000 1.223 60 N CA -0.537 52.834 53.050 0.536 0.000 0.966 60 N CB 0.844 39.511 38.487 0.301 0.000 1.203 60 N HN 0.484 nan 8.380 nan 0.000 0.565 61 I N 0.649 121.318 120.570 0.165 0.000 2.468 61 I HA 0.226 4.396 4.170 0.000 0.000 0.284 61 I C -0.635 175.440 176.117 -0.070 0.000 1.038 61 I CA -0.497 60.799 61.300 -0.005 0.000 1.083 61 I CB 1.607 39.475 38.000 -0.220 0.000 1.223 61 I HN 0.258 nan 8.210 nan 0.000 0.443 62 S N 4.763 120.454 115.700 -0.014 0.000 2.532 62 S HA 0.379 4.849 4.470 0.000 0.000 0.299 62 S C 0.211 174.834 174.600 0.039 0.000 1.105 62 S CA -0.366 57.810 58.200 -0.041 0.000 1.018 62 S CB 0.778 63.949 63.200 -0.049 0.000 1.021 62 S HN 0.753 nan 8.310 nan 0.000 0.483 63 N N 3.385 122.094 118.700 0.015 0.000 2.735 63 N HA -0.169 4.572 4.740 0.000 0.000 0.248 63 N C -0.391 175.244 175.510 0.209 0.000 1.083 63 N CA 1.362 54.460 53.050 0.081 0.000 0.703 63 N CB -1.166 37.362 38.487 0.068 0.000 1.005 63 N HN 0.775 nan 8.380 nan 0.000 0.550 64 D N -3.579 116.875 120.400 0.090 0.000 3.079 64 D HA -0.231 4.409 4.640 0.000 0.000 0.214 64 D C -0.562 175.769 176.300 0.052 0.000 1.145 64 D CA 1.565 55.588 54.000 0.040 0.000 0.958 64 D CB -1.486 39.320 40.800 0.009 0.000 1.117 64 D HN 0.733 nan 8.370 nan 0.000 0.416 65 H N -0.330 118.790 119.070 0.084 0.000 2.492 65 H HA 0.581 5.138 4.556 0.001 0.000 0.345 65 H C 0.484 175.876 175.328 0.107 0.000 1.136 65 H CA -0.751 55.375 56.048 0.130 0.000 1.202 65 H CB 1.449 31.269 29.762 0.096 0.000 1.524 65 H HN 0.076 nan 8.280 nan 0.000 0.506 66 I N 1.637 122.331 120.570 0.208 0.000 2.754 66 I HA 0.066 4.237 4.170 0.000 0.000 0.285 66 I C -0.387 175.582 176.117 -0.247 0.000 1.166 66 I CA 0.778 62.077 61.300 -0.001 0.000 1.417 66 I CB 0.221 38.147 38.000 -0.122 0.000 1.382 66 I HN 0.622 nan 8.210 nan 0.000 0.588 67 D N 3.347 123.621 120.400 -0.210 0.000 2.665 67 D HA 0.286 4.926 4.640 0.000 0.000 0.287 67 D C -1.005 175.406 176.300 0.186 0.000 1.266 67 D CA -0.153 53.841 54.000 -0.010 0.000 0.830 67 D CB 1.848 42.710 40.800 0.103 0.000 1.356 67 D HN 0.620 nan 8.370 nan 0.000 0.437 68 T N -1.796 112.974 114.554 0.361 0.000 2.788 68 T HA 0.174 4.524 4.350 0.000 0.000 0.287 68 T C 0.548 175.471 174.700 0.372 0.000 1.007 68 T CA -0.343 61.999 62.100 0.403 0.000 1.005 68 T CB 1.302 70.321 68.868 0.253 0.000 1.012 68 T HN 0.529 nan 8.240 nan 0.000 0.530 69 W N 0.111 121.551 121.300 0.233 0.000 3.517 69 W HA 0.254 4.915 4.660 0.001 0.000 0.234 69 W C 0.018 176.671 176.519 0.223 0.000 0.972 69 W CA 0.081 57.562 57.345 0.227 0.000 2.002 69 W CB 0.191 29.834 29.460 0.305 0.000 1.018 69 W HN 0.563 nan 8.180 nan 0.000 0.712 70 E N 1.817 122.365 120.200 0.581 0.000 2.349 70 E HA -0.004 4.347 4.350 0.000 0.000 0.265 70 E C 1.399 178.140 176.600 0.235 0.000 1.064 70 E CA -0.148 56.519 56.400 0.444 0.000 0.886 70 E CB 0.092 30.009 29.700 0.361 0.000 1.036 70 E HN 0.308 nan 8.360 nan 0.000 0.413 71 W N 3.765 125.195 121.300 0.217 0.000 2.331 71 W HA -0.184 4.476 4.660 0.000 0.000 0.291 71 W C 0.541 177.128 176.519 0.113 0.000 1.214 71 W CA 1.260 58.690 57.345 0.143 0.000 1.228 71 W CB -0.669 28.877 29.460 0.143 0.000 1.135 71 W HN 0.381 nan 8.180 nan 0.000 0.537 72 N N 0.603 118.761 118.700 -0.903 0.000 2.321 72 N HA -0.030 4.710 4.740 0.000 0.000 0.242 72 N C 0.462 175.684 175.510 -0.481 0.000 1.141 72 N CA 0.091 52.617 53.050 -0.873 0.000 0.864 72 N CB -0.665 36.896 38.487 -1.543 0.000 1.100 72 N HN -0.105 nan 8.380 nan 0.000 0.510 73 D N 0.667 120.849 120.400 -0.364 0.000 2.123 73 D HA -0.101 4.539 4.640 0.000 0.000 0.196 73 D C 1.769 177.486 176.300 -0.972 0.000 0.992 73 D CA 0.806 54.479 54.000 -0.545 0.000 0.833 73 D CB 0.189 40.688 40.800 -0.502 0.000 0.954 73 D HN 0.100 nan 8.370 nan 0.000 0.455 74 V N 0.797 120.306 119.914 -0.674 0.000 2.332 74 V HA -0.251 3.869 4.120 0.000 0.000 0.248 74 V C 2.479 178.410 176.094 -0.272 0.000 1.055 74 V CA 1.959 63.972 62.300 -0.478 0.000 1.038 74 V CB -0.755 30.957 31.823 -0.186 0.000 0.651 74 V HN 0.238 nan 8.190 nan 0.000 0.450 75 T N 0.269 114.681 114.554 -0.236 0.000 2.708 75 T HA -0.127 4.223 4.350 0.000 0.000 0.266 75 T C 1.831 176.466 174.700 -0.108 0.000 1.037 75 T CA 1.335 63.349 62.100 -0.142 0.000 1.146 75 T CB -0.283 68.498 68.868 -0.145 0.000 0.865 75 T HN 0.176 nan 8.240 nan 0.000 0.435 76 L N 0.104 121.251 121.223 -0.128 0.000 2.093 76 L HA 0.021 4.362 4.340 0.000 0.000 0.208 76 L C 2.200 179.082 176.870 0.020 0.000 1.085 76 L CA 1.363 56.212 54.840 0.015 0.000 0.755 76 L CB -1.246 40.917 42.059 0.173 0.000 0.904 76 L HN 0.266 nan 8.230 nan 0.000 0.435 77 Y N 0.103 120.260 120.300 -0.238 0.000 2.128 77 Y HA -0.158 4.393 4.550 0.001 0.000 0.284 77 Y C 2.542 178.268 175.900 -0.291 0.000 1.154 77 Y CA 0.939 58.829 58.100 -0.349 0.000 1.149 77 Y CB -1.520 36.737 38.460 -0.337 0.000 0.976 77 Y HN 0.182 nan 8.280 nan 0.000 0.505 78 G N -0.664 108.118 108.800 -0.030 0.000 2.418 78 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 78 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 78 G C 1.744 176.592 174.900 -0.087 0.000 1.158 78 G CA 0.999 46.054 45.100 -0.076 0.000 0.771 78 G HN 0.301 nan 8.290 nan 0.000 0.545 79 M N -0.375 119.187 119.600 -0.064 0.000 2.117 79 M HA -0.009 4.471 4.480 0.000 0.000 0.262 79 M C 2.465 178.708 176.300 -0.095 0.000 1.065 79 M CA 1.032 56.292 55.300 -0.068 0.000 1.114 79 M CB -0.412 32.164 32.600 -0.039 0.000 1.361 79 M HN 0.288 nan 8.290 nan 0.000 0.408 80 L N 1.165 122.334 121.223 -0.089 0.000 2.005 80 L HA -0.136 4.204 4.340 0.000 0.000 0.207 80 L C 1.910 178.692 176.870 -0.145 0.000 1.072 80 L CA 1.912 56.691 54.840 -0.103 0.000 0.744 80 L CB -0.915 41.142 42.059 -0.004 0.000 0.895 80 L HN 0.245 nan 8.230 nan 0.000 0.433 81 N N -0.914 117.666 118.700 -0.200 0.000 2.453 81 N HA -0.121 4.619 4.740 0.000 0.000 0.183 81 N C 1.579 176.988 175.510 -0.168 0.000 1.041 81 N CA 1.453 54.368 53.050 -0.226 0.000 0.900 81 N CB -0.347 37.949 38.487 -0.320 0.000 0.961 81 N HN 0.443 nan 8.380 nan 0.000 0.443 82 T N 1.613 116.083 114.554 -0.140 0.000 2.915 82 T HA 0.038 4.388 4.350 0.000 0.000 0.269 82 T C 2.009 176.630 174.700 -0.131 0.000 1.071 82 T CA 0.355 62.383 62.100 -0.119 0.000 1.132 82 T CB -0.052 68.757 68.868 -0.098 0.000 0.878 82 T HN 0.211 nan 8.240 nan 0.000 0.479 83 L N 0.475 121.608 121.223 -0.149 0.000 2.261 83 L HA -0.086 4.254 4.340 0.000 0.000 0.216 83 L C 2.444 179.189 176.870 -0.208 0.000 1.114 83 L CA 1.214 55.942 54.840 -0.186 0.000 0.777 83 L CB -0.515 41.429 42.059 -0.192 0.000 0.910 83 L HN 0.230 nan 8.230 nan 0.000 0.440 84 K N 0.011 120.310 120.400 -0.169 0.000 2.366 84 K HA -0.062 4.258 4.320 0.000 0.000 0.198 84 K C 1.618 178.144 176.600 -0.124 0.000 1.044 84 K CA 0.665 56.862 56.287 -0.150 0.000 0.973 84 K CB -0.154 32.267 32.500 -0.131 0.000 0.767 84 K HN 0.464 nan 8.250 nan 0.000 0.475 85 N N 0.787 119.418 118.700 -0.116 0.000 2.069 85 N HA -0.190 4.550 4.740 0.000 0.000 0.191 85 N C 1.788 177.256 175.510 -0.069 0.000 1.031 85 N CA 1.066 54.066 53.050 -0.083 0.000 0.852 85 N CB -0.019 38.423 38.487 -0.075 0.000 1.018 85 N HN -0.012 nan 8.380 nan 0.000 0.423 86 R N 0.372 120.814 120.500 -0.097 0.000 2.297 86 R HA 0.167 4.507 4.340 0.000 0.000 0.197 86 R C -0.538 175.729 176.300 -0.054 0.000 0.943 86 R CA 0.238 56.306 56.100 -0.053 0.000 1.038 86 R CB 0.264 30.528 30.300 -0.059 0.000 0.957 86 R HN 0.062 nan 8.270 nan 0.000 0.484 87 N N -0.521 118.088 118.700 -0.153 0.000 2.690 87 N HA 0.226 4.966 4.740 0.000 0.000 0.255 87 N C -2.440 173.028 175.510 -0.070 0.000 1.195 87 N CA -2.123 50.862 53.050 -0.108 0.000 0.790 87 N CB 1.602 39.871 38.487 -0.363 0.000 1.216 87 N HN -0.195 nan 8.380 nan 0.000 0.528 88 P HA -0.031 nan 4.420 nan 0.000 0.218 88 P C 0.581 177.858 177.300 -0.040 0.000 1.148 88 P CA 1.230 64.311 63.100 -0.032 0.000 0.822 88 P CB 0.302 31.995 31.700 -0.012 0.000 0.784 89 N N -0.953 117.734 118.700 -0.021 0.000 2.309 89 N HA -0.084 4.656 4.740 0.000 0.000 0.182 89 N C 0.500 175.957 175.510 -0.089 0.000 1.018 89 N CA -0.226 52.803 53.050 -0.035 0.000 0.876 89 N CB -0.408 38.080 38.487 0.001 0.000 0.972 89 N HN 0.070 nan 8.380 nan 0.000 0.434 90 L N 2.154 123.317 121.223 -0.100 0.000 2.499 90 L HA 0.045 4.385 4.340 0.000 0.000 0.273 90 L C -0.389 176.384 176.870 -0.162 0.000 1.195 90 L CA 0.702 55.456 54.840 -0.144 0.000 0.882 90 L CB 0.318 42.287 42.059 -0.150 0.000 1.133 90 L HN -0.071 nan 8.230 nan 0.000 0.483 91 K N 2.949 123.209 120.400 -0.233 0.000 2.203 91 K HA 0.671 4.991 4.320 0.000 0.000 0.251 91 K C -0.618 175.957 176.600 -0.042 0.000 0.944 91 K CA -0.643 55.542 56.287 -0.171 0.000 0.829 91 K CB 1.779 34.096 32.500 -0.304 0.000 1.125 91 K HN 0.743 nan 8.250 nan 0.000 0.430 92 T N -0.316 114.274 114.554 0.059 0.000 2.893 92 T HA 0.720 5.070 4.350 0.000 0.000 0.291 92 T C -0.748 174.150 174.700 0.330 0.000 1.028 92 T CA -0.915 61.294 62.100 0.181 0.000 0.995 92 T CB 0.850 69.799 68.868 0.135 0.000 1.051 92 T HN 0.215 nan 8.240 nan 0.000 0.470 93 L N 1.586 123.003 121.223 0.323 0.000 2.350 93 L HA 0.734 5.074 4.340 0.000 0.000 0.260 93 L C -1.121 175.688 176.870 -0.101 0.000 1.015 93 L CA -1.028 53.916 54.840 0.173 0.000 0.821 93 L CB 2.067 44.213 42.059 0.144 0.000 1.370 93 L HN 0.702 nan 8.230 nan 0.000 0.416 94 L N 0.644 121.591 121.223 -0.460 0.000 2.296 94 L HA 0.695 5.035 4.340 0.000 0.000 0.286 94 L C -0.201 176.626 176.870 -0.072 0.000 1.023 94 L CA 0.199 54.681 54.840 -0.595 0.000 0.812 94 L CB 1.662 43.066 42.059 -1.092 0.000 1.223 94 L HN 0.574 nan 8.230 nan 0.000 0.421 95 S N 3.889 119.671 115.700 0.137 0.000 2.480 95 S HA 0.643 5.114 4.470 0.000 0.000 0.286 95 S C -0.901 173.964 174.600 0.441 0.000 1.180 95 S CA -0.514 57.892 58.200 0.343 0.000 1.075 95 S CB 1.129 64.645 63.200 0.528 0.000 0.996 95 S HN 0.644 nan 8.310 nan 0.000 0.487 96 V N 5.919 126.058 119.914 0.374 0.000 2.513 96 V HA 0.859 4.979 4.120 0.000 0.000 0.299 96 V C 0.741 176.946 176.094 0.185 0.000 1.035 96 V CA 1.152 63.634 62.300 0.303 0.000 0.889 96 V CB 0.613 32.602 31.823 0.276 0.000 0.988 96 V HN 1.354 nan 8.190 nan 0.000 0.440 97 G N 4.228 113.014 108.800 -0.022 0.000 2.541 97 G HA2 0.474 4.434 3.960 0.000 0.000 0.208 97 G HA3 0.474 4.434 3.960 0.000 0.000 0.208 97 G C 0.763 175.237 174.900 -0.711 0.000 1.191 97 G CA 0.158 45.061 45.100 -0.329 0.000 1.217 97 G HN 2.680 nan 8.290 nan 0.000 0.566 98 G N -2.428 105.640 108.800 -1.220 0.000 2.592 98 G HA2 0.063 4.023 3.960 0.000 0.000 0.684 98 G HA3 0.063 4.023 3.960 0.000 0.000 0.684 98 G C 0.665 175.009 174.900 -0.927 0.000 1.291 98 G CA 0.519 44.443 45.100 -1.961 0.000 0.891 98 G HN 1.330 nan 8.290 nan 0.000 0.544 99 W N -0.195 120.835 121.300 -0.450 0.000 2.467 99 W HA -0.013 4.647 4.660 -0.000 0.000 0.275 99 W C 1.985 178.423 176.519 -0.136 0.000 1.239 99 W CA 1.109 58.306 57.345 -0.246 0.000 1.266 99 W CB -0.268 29.071 29.460 -0.202 0.000 1.112 99 W HN 0.463 nan 8.180 nan 0.000 0.576 100 N N -0.053 118.697 118.700 0.082 0.000 2.398 100 N HA -0.049 4.691 4.740 0.000 0.000 0.188 100 N C 1.225 176.892 175.510 0.261 0.000 1.122 100 N CA 0.298 53.436 53.050 0.146 0.000 0.866 100 N CB -0.593 37.987 38.487 0.155 0.000 0.970 100 N HN 0.034 nan 8.380 nan 0.000 0.462 101 F N 1.270 121.247 119.950 0.046 0.000 2.128 101 F HA 0.140 4.668 4.527 0.001 0.000 0.295 101 F C 1.076 176.894 175.800 0.029 0.000 1.100 101 F CA 1.279 59.338 58.000 0.099 0.000 1.260 101 F CB 0.012 38.987 39.000 -0.042 0.000 1.009 101 F HN 0.068 nan 8.300 nan 0.000 0.476 102 G N 0.223 109.227 108.800 0.340 0.000 3.224 102 G HA2 -0.154 3.806 3.960 0.000 0.000 0.684 102 G HA3 -0.154 3.806 3.960 0.000 0.000 0.684 102 G C 0.503 175.585 174.900 0.303 0.000 1.180 102 G CA 0.132 45.366 45.100 0.224 0.000 1.099 102 G HN 0.445 nan 8.290 nan 0.000 0.476 103 S N 0.574 116.417 115.700 0.238 0.000 2.380 103 S HA -0.202 4.268 4.470 0.000 0.000 0.229 103 S C 2.475 177.250 174.600 0.293 0.000 1.043 103 S CA 2.325 60.722 58.200 0.329 0.000 1.038 103 S CB -0.116 63.263 63.200 0.297 0.000 0.872 103 S HN 0.688 nan 8.310 nan 0.000 0.456 104 Q N 0.558 120.476 119.800 0.197 0.000 2.061 104 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 104 Q C 2.405 178.465 176.000 0.099 0.000 0.984 104 Q CA 1.434 57.322 55.803 0.142 0.000 0.846 104 Q CB -0.539 28.253 28.738 0.091 0.000 0.902 104 Q HN 0.581 nan 8.270 nan 0.000 0.421 105 R N -0.473 120.085 120.500 0.097 0.000 2.120 105 R HA -0.117 4.223 4.340 0.000 0.000 0.234 105 R C 2.127 178.470 176.300 0.072 0.000 1.123 105 R CA 0.797 56.929 56.100 0.053 0.000 0.975 105 R CB -0.165 30.104 30.300 -0.051 0.000 0.866 105 R HN 0.100 nan 8.270 nan 0.000 0.446 106 F N 0.263 120.144 119.950 -0.116 0.000 2.146 106 F HA -0.144 4.383 4.527 0.001 0.000 0.298 106 F C 2.624 177.905 175.800 -0.864 0.000 1.096 106 F CA 1.615 59.166 58.000 -0.747 0.000 1.275 106 F CB -0.728 37.277 39.000 -1.658 0.000 1.008 106 F HN -0.021 nan 8.300 nan 0.000 0.480 107 S N -0.151 115.377 115.700 -0.287 0.000 2.365 107 S HA -0.248 4.222 4.470 0.000 0.000 0.225 107 S C 2.207 176.806 174.600 -0.001 0.000 1.039 107 S CA 1.698 59.912 58.200 0.024 0.000 1.033 107 S CB -0.308 63.085 63.200 0.321 0.000 0.887 107 S HN 0.387 nan 8.310 nan 0.000 0.447 108 K N 0.259 120.648 120.400 -0.018 0.000 2.032 108 K HA -0.070 4.251 4.320 0.000 0.000 0.209 108 K C 2.064 178.618 176.600 -0.076 0.000 1.048 108 K CA 1.825 58.093 56.287 -0.031 0.000 0.927 108 K CB -0.391 32.092 32.500 -0.029 0.000 0.712 108 K HN 0.458 nan 8.250 nan 0.000 0.441 109 I N 0.750 121.245 120.570 -0.124 0.000 2.226 109 I HA -0.260 3.910 4.170 0.000 0.000 0.245 109 I C 2.436 178.496 176.117 -0.096 0.000 1.100 109 I CA 1.168 62.381 61.300 -0.145 0.000 1.374 109 I CB -0.304 37.525 38.000 -0.285 0.000 1.057 109 I HN 0.145 nan 8.210 nan 0.000 0.413 110 A N 0.418 123.185 122.820 -0.089 0.000 2.014 110 A HA -0.140 4.180 4.320 0.000 0.000 0.218 110 A C 2.428 179.938 177.584 -0.123 0.000 1.163 110 A CA 1.723 53.763 52.037 0.006 0.000 0.652 110 A CB -0.563 18.525 19.000 0.147 0.000 0.808 110 A HN 0.513 nan 8.150 nan 0.000 0.449 111 S N -0.138 115.406 115.700 -0.260 0.000 2.446 111 S HA -0.010 4.460 4.470 0.000 0.000 0.225 111 S C 0.861 175.296 174.600 -0.275 0.000 1.016 111 S CA 0.130 57.965 58.200 -0.607 0.000 0.943 111 S CB -0.447 62.461 63.200 -0.487 0.000 0.786 111 S HN 0.536 nan 8.310 nan 0.000 0.508 112 N N 2.063 120.682 118.700 -0.134 0.000 2.442 112 N HA 0.121 4.861 4.740 0.000 0.000 0.265 112 N C 0.508 175.990 175.510 -0.046 0.000 1.138 112 N CA 0.344 53.353 53.050 -0.067 0.000 0.956 112 N CB 1.180 39.640 38.487 -0.045 0.000 1.067 112 N HN 0.181 nan 8.380 nan 0.000 0.474 113 T N 3.472 118.009 114.554 -0.029 0.000 2.699 113 T HA -0.200 4.151 4.350 0.000 0.000 0.268 113 T C 1.517 176.213 174.700 -0.005 0.000 1.036 113 T CA 1.565 63.658 62.100 -0.012 0.000 1.147 113 T CB 0.029 68.897 68.868 -0.001 0.000 0.862 113 T HN 0.548 nan 8.240 nan 0.000 0.446 114 Q N 0.852 120.649 119.800 -0.005 0.000 2.016 114 Q HA 0.027 4.367 4.340 0.000 0.000 0.200 114 Q C 2.825 178.824 176.000 -0.002 0.000 0.978 114 Q CA 1.451 57.253 55.803 -0.002 0.000 0.833 114 Q CB -0.546 28.193 28.738 0.001 0.000 0.895 114 Q HN 0.373 nan 8.270 nan 0.000 0.427 115 S N 0.244 115.941 115.700 -0.006 0.000 2.374 115 S HA -0.225 4.245 4.470 0.000 0.000 0.227 115 S C 1.830 176.449 174.600 0.031 0.000 1.037 115 S CA 1.505 59.702 58.200 -0.005 0.000 1.024 115 S CB -0.265 62.918 63.200 -0.028 0.000 0.861 115 S HN 0.301 nan 8.310 nan 0.000 0.456 116 R N 0.897 121.419 120.500 0.036 0.000 2.081 116 R HA -0.091 4.249 4.340 0.000 0.000 0.235 116 R C 2.458 178.805 176.300 0.078 0.000 1.131 116 R CA 1.431 57.589 56.100 0.096 0.000 0.960 116 R CB -0.133 30.202 30.300 0.058 0.000 0.856 116 R HN 0.127 nan 8.270 nan 0.000 0.436 117 R N 0.145 120.657 120.500 0.021 0.000 2.081 117 R HA -0.048 4.292 4.340 0.000 0.000 0.235 117 R C 1.872 178.153 176.300 -0.031 0.000 1.131 117 R CA 2.429 58.523 56.100 -0.010 0.000 0.960 117 R CB -0.926 29.367 30.300 -0.012 0.000 0.856 117 R HN 0.193 nan 8.270 nan 0.000 0.436 118 T N 1.016 115.549 114.554 -0.036 0.000 2.746 118 T HA -0.119 4.231 4.350 0.000 0.000 0.267 118 T C 1.344 175.960 174.700 -0.140 0.000 1.039 118 T CA 1.469 63.495 62.100 -0.124 0.000 1.142 118 T CB -0.488 68.288 68.868 -0.154 0.000 0.866 118 T HN 0.261 nan 8.240 nan 0.000 0.444 119 F N 1.987 121.831 119.950 -0.177 0.000 2.051 119 F HA -0.043 4.484 4.527 -0.000 0.000 0.296 119 F C 1.991 177.746 175.800 -0.075 0.000 1.122 119 F CA 0.800 58.718 58.000 -0.137 0.000 1.201 119 F CB -0.848 38.095 39.000 -0.095 0.000 0.978 119 F HN 0.092 nan 8.300 nan 0.000 0.472 120 I N 0.386 120.752 120.570 -0.340 0.000 2.208 120 I HA -0.339 3.831 4.170 0.000 0.000 0.245 120 I C 2.616 178.605 176.117 -0.214 0.000 1.097 120 I CA 1.780 62.839 61.300 -0.403 0.000 1.363 120 I CB -0.619 37.249 38.000 -0.220 0.000 1.051 120 I HN 0.166 nan 8.210 nan 0.000 0.413 121 K N 0.853 121.176 120.400 -0.128 0.000 2.097 121 K HA -0.200 4.120 4.320 0.000 0.000 0.206 121 K C 2.302 178.882 176.600 -0.032 0.000 1.049 121 K CA 1.819 58.071 56.287 -0.058 0.000 0.933 121 K CB -0.052 32.423 32.500 -0.042 0.000 0.717 121 K HN 0.396 nan 8.250 nan 0.000 0.442 122 S N -0.288 115.371 115.700 -0.069 0.000 2.423 122 S HA -0.076 4.394 4.470 0.000 0.000 0.231 122 S C 1.937 176.581 174.600 0.074 0.000 1.014 122 S CA 1.029 59.252 58.200 0.038 0.000 0.965 122 S CB -0.285 62.939 63.200 0.041 0.000 0.785 122 S HN 0.092 nan 8.310 nan 0.000 0.495 123 V N 3.208 123.101 119.914 -0.034 0.000 2.261 123 V HA -0.043 4.077 4.120 0.000 0.000 0.246 123 V C -0.269 175.892 176.094 0.112 0.000 1.047 123 V CA 1.904 64.225 62.300 0.036 0.000 1.015 123 V CB -1.735 30.065 31.823 -0.038 0.000 0.642 123 V HN 0.386 nan 8.190 nan 0.000 0.446 124 P HA -0.097 nan 4.420 nan 0.000 0.215 124 P C -1.346 175.970 177.300 0.027 0.000 1.153 124 P CA 1.816 64.898 63.100 -0.030 0.000 0.853 124 P CB -1.273 30.408 31.700 -0.032 0.000 0.788 125 P HA -0.179 nan 4.420 nan 0.000 0.216 125 P C 1.597 178.963 177.300 0.109 0.000 1.153 125 P CA 1.183 64.325 63.100 0.070 0.000 0.848 125 P CB -0.478 31.274 31.700 0.087 0.000 0.787 126 F N 0.818 120.806 119.950 0.064 0.000 2.134 126 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 126 F C 2.270 178.169 175.800 0.166 0.000 1.097 126 F CA 1.427 59.518 58.000 0.151 0.000 1.264 126 F CB -0.847 38.286 39.000 0.221 0.000 1.001 126 F HN -0.297 nan 8.300 nan 0.000 0.479 127 L N -0.372 121.050 121.223 0.333 0.000 2.027 127 L HA -0.192 4.148 4.340 0.000 0.000 0.206 127 L C 2.686 179.600 176.870 0.073 0.000 1.074 127 L CA 0.934 55.920 54.840 0.243 0.000 0.745 127 L CB -0.724 41.404 42.059 0.114 0.000 0.898 127 L HN 0.006 nan 8.230 nan 0.000 0.433 128 R N -0.218 120.275 120.500 -0.012 0.000 2.081 128 R HA -0.092 4.248 4.340 0.000 0.000 0.235 128 R C 2.241 178.463 176.300 -0.131 0.000 1.131 128 R CA 1.653 57.712 56.100 -0.069 0.000 0.960 128 R CB -1.380 28.879 30.300 -0.068 0.000 0.856 128 R HN 0.326 nan 8.270 nan 0.000 0.436 129 T N 0.647 115.081 114.554 -0.200 0.000 2.788 129 T HA -0.090 4.260 4.350 0.000 0.000 0.268 129 T C 1.188 175.583 174.700 -0.509 0.000 1.044 129 T CA 1.163 63.035 62.100 -0.382 0.000 1.139 129 T CB -0.145 68.404 68.868 -0.531 0.000 0.867 129 T HN 0.354 nan 8.240 nan 0.000 0.454 130 H N -0.488 118.455 119.070 -0.211 0.000 2.549 130 H HA 0.374 4.930 4.556 -0.000 0.000 0.279 130 H C 1.770 176.875 175.328 -0.370 0.000 1.018 130 H CA 0.428 56.329 56.048 -0.245 0.000 1.175 130 H CB 0.256 29.861 29.762 -0.261 0.000 1.485 130 H HN 0.495 nan 8.280 nan 0.000 0.543 131 G N 0.963 109.638 108.800 -0.208 0.000 2.136 131 G HA2 -0.267 3.693 3.960 0.000 0.000 0.242 131 G HA3 -0.267 3.693 3.960 0.000 0.000 0.242 131 G C -0.211 174.482 174.900 -0.346 0.000 0.989 131 G CA -0.225 44.711 45.100 -0.273 0.000 0.682 131 G HN 0.170 nan 8.290 nan 0.000 0.522 132 F N 0.548 120.435 119.950 -0.105 0.000 2.371 132 F HA 0.467 4.994 4.527 -0.000 0.000 0.329 132 F C 1.302 177.056 175.800 -0.077 0.000 1.107 132 F CA -0.630 57.316 58.000 -0.090 0.000 1.137 132 F CB 0.938 39.885 39.000 -0.088 0.000 1.214 132 F HN -0.044 nan 8.300 nan 0.000 0.536 133 D N 0.789 121.291 120.400 0.171 0.000 2.349 133 D HA 0.256 4.897 4.640 0.000 0.000 0.214 133 D C 0.738 177.072 176.300 0.056 0.000 1.063 133 D CA 0.511 54.553 54.000 0.071 0.000 0.847 133 D CB 0.699 41.536 40.800 0.063 0.000 0.933 133 D HN 0.646 nan 8.370 nan 0.000 0.513 134 G N 0.315 109.166 108.800 0.086 0.000 2.349 134 G HA2 0.380 4.340 3.960 0.000 0.000 0.294 134 G HA3 0.380 4.340 3.960 0.000 0.000 0.294 134 G C -2.289 172.652 174.900 0.068 0.000 1.380 134 G CA -0.807 44.318 45.100 0.043 0.000 0.811 134 G HN 0.051 nan 8.290 nan 0.000 0.519 135 L N 0.204 121.516 121.223 0.149 0.000 2.346 135 L HA 0.847 5.187 4.340 0.000 0.000 0.274 135 L C -1.244 175.694 176.870 0.114 0.000 1.007 135 L CA -0.633 54.298 54.840 0.151 0.000 0.818 135 L CB 2.202 44.435 42.059 0.290 0.000 1.284 135 L HN 0.612 nan 8.230 nan 0.000 0.424 136 D N 3.548 124.018 120.400 0.117 0.000 2.408 136 D HA 0.402 5.042 4.640 0.000 0.000 0.243 136 D C -1.216 175.204 176.300 0.201 0.000 1.075 136 D CA -0.128 53.949 54.000 0.128 0.000 0.832 136 D CB 1.090 42.013 40.800 0.204 0.000 1.162 136 D HN 0.530 nan 8.370 nan 0.000 0.515 137 L N 2.988 124.308 121.223 0.163 0.000 2.281 137 L HA 0.605 4.945 4.340 0.000 0.000 0.285 137 L C 0.233 177.218 176.870 0.191 0.000 1.074 137 L CA -0.632 54.333 54.840 0.208 0.000 0.817 137 L CB 1.466 43.625 42.059 0.166 0.000 1.168 137 L HN 0.601 nan 8.230 nan 0.000 0.434 138 A N 4.226 127.138 122.820 0.154 0.000 3.248 138 A HA 0.172 4.492 4.320 0.000 0.000 0.315 138 A C -0.975 176.499 177.584 -0.183 0.000 0.974 138 A CA -0.457 51.578 52.037 -0.003 0.000 0.939 138 A CB -0.002 19.018 19.000 0.033 0.000 1.061 138 A HN 0.703 nan 8.150 nan 0.000 0.481 139 W N 3.072 124.072 121.300 -0.500 0.000 2.481 139 W HA 0.506 5.167 4.660 0.001 0.000 0.320 139 W C -1.351 174.797 176.519 -0.618 0.000 1.209 139 W CA -0.876 55.972 57.345 -0.828 0.000 1.400 139 W CB 0.299 29.058 29.460 -1.168 0.000 1.361 139 W HN 0.363 nan 8.180 nan 0.000 0.456 140 L N 9.122 130.126 121.223 -0.365 0.000 2.387 140 L HA 0.308 4.648 4.340 0.000 0.000 0.259 140 L C -1.094 175.377 176.870 -0.665 0.000 1.050 140 L CA -0.572 53.640 54.840 -1.046 0.000 0.922 140 L CB -0.240 40.974 42.059 -1.409 0.000 1.280 140 L HN 0.223 nan 8.230 nan 0.000 0.449 141 Y N 1.117 121.355 120.300 -0.104 0.000 2.615 141 Y HA 0.537 5.088 4.550 0.001 0.000 0.341 141 Y C -2.447 173.041 175.900 -0.687 0.000 1.089 141 Y CA -2.814 55.045 58.100 -0.400 0.000 1.049 141 Y CB 1.554 39.797 38.460 -0.362 0.000 1.296 141 Y HN 0.249 nan 8.280 nan 0.000 0.470 142 P HA 0.211 nan 4.420 nan 0.000 0.271 142 P C -0.149 176.805 177.300 -0.577 0.000 1.218 142 P CA 0.024 62.321 63.100 -1.337 0.000 0.780 142 P CB 0.756 31.406 31.700 -1.749 0.000 0.901 143 G N 1.653 110.277 108.800 -0.294 0.000 2.642 143 G HA2 0.453 4.414 3.960 0.000 0.000 0.291 143 G HA3 0.453 4.414 3.960 0.000 0.000 0.291 143 G C -0.743 174.042 174.900 -0.192 0.000 1.345 143 G CA -0.976 44.011 45.100 -0.188 0.000 1.043 143 G HN 0.336 nan 8.290 nan 0.000 0.528 144 R N -0.302 120.113 120.500 -0.142 0.000 2.570 144 R HA 0.356 4.696 4.340 0.000 0.000 0.277 144 R C 1.132 177.384 176.300 -0.079 0.000 1.039 144 R CA 0.718 56.746 56.100 -0.121 0.000 1.065 144 R CB 0.356 30.602 30.300 -0.090 0.000 0.964 144 R HN 0.902 nan 8.270 nan 0.000 0.428 145 R N -0.218 120.232 120.500 -0.083 0.000 2.752 145 R HA -0.155 4.185 4.340 0.000 0.000 0.430 145 R C -0.685 175.571 176.300 -0.073 0.000 0.397 145 R CA 1.326 57.391 56.100 -0.059 0.000 1.419 145 R CB -1.613 28.689 30.300 0.004 0.000 1.974 145 R HN 0.604 nan 8.270 nan 0.000 0.286 146 D N 0.781 121.138 120.400 -0.071 0.000 2.433 146 D HA 0.101 4.742 4.640 0.000 0.000 0.211 146 D C 1.223 177.468 176.300 -0.091 0.000 1.114 146 D CA 0.321 54.314 54.000 -0.011 0.000 0.837 146 D CB 0.343 41.141 40.800 -0.004 0.000 0.984 146 D HN 0.418 nan 8.370 nan 0.000 0.505 147 K N 0.944 121.263 120.400 -0.135 0.000 2.044 147 K HA -0.224 4.096 4.320 0.000 0.000 0.210 147 K C 1.618 178.237 176.600 0.032 0.000 1.049 147 K CA 1.428 57.675 56.287 -0.066 0.000 0.927 147 K CB 0.328 32.778 32.500 -0.082 0.000 0.713 147 K HN -0.111 nan 8.250 nan 0.000 0.443 148 Q N -0.608 119.166 119.800 -0.044 0.000 2.123 148 Q HA -0.062 4.278 4.340 0.000 0.000 0.199 148 Q C 1.724 177.794 176.000 0.116 0.000 0.966 148 Q CA 1.617 57.419 55.803 -0.002 0.000 0.845 148 Q CB -0.155 28.541 28.738 -0.071 0.000 0.907 148 Q HN 0.580 nan 8.270 nan 0.000 0.439 149 H N -1.483 117.680 119.070 0.155 0.000 2.387 149 H HA -0.127 4.429 4.556 0.000 0.000 0.299 149 H C 1.438 176.947 175.328 0.303 0.000 1.090 149 H CA 0.924 57.104 56.048 0.220 0.000 1.332 149 H CB -0.016 29.918 29.762 0.286 0.000 1.386 149 H HN 0.187 nan 8.280 nan 0.000 0.516 150 F N 1.497 121.581 119.950 0.223 0.000 2.102 150 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 150 F C 2.313 178.170 175.800 0.095 0.000 1.105 150 F CA 1.532 59.613 58.000 0.135 0.000 1.239 150 F CB -0.627 38.308 39.000 -0.108 0.000 0.991 150 F HN -0.050 nan 8.300 nan 0.000 0.474 151 T N -0.595 114.030 114.554 0.119 0.000 2.684 151 T HA -0.193 4.157 4.350 0.000 0.000 0.267 151 T C 1.915 176.592 174.700 -0.039 0.000 1.036 151 T CA 2.152 64.245 62.100 -0.012 0.000 1.148 151 T CB -0.672 68.229 68.868 0.054 0.000 0.863 151 T HN 0.289 nan 8.240 nan 0.000 0.436 152 T N 2.323 116.902 114.554 0.041 0.000 2.746 152 T HA -0.046 4.304 4.350 0.000 0.000 0.267 152 T C 1.900 176.587 174.700 -0.022 0.000 1.039 152 T CA 0.951 63.065 62.100 0.023 0.000 1.142 152 T CB -0.482 68.449 68.868 0.104 0.000 0.866 152 T HN 0.145 nan 8.240 nan 0.000 0.444 153 L N 0.985 122.228 121.223 0.033 0.000 2.012 153 L HA 0.007 4.347 4.340 0.000 0.000 0.210 153 L C 2.117 178.912 176.870 -0.125 0.000 1.073 153 L CA 1.609 56.465 54.840 0.026 0.000 0.748 153 L CB -0.636 41.528 42.059 0.176 0.000 0.891 153 L HN 0.273 nan 8.230 nan 0.000 0.431 154 I N -0.587 119.839 120.570 -0.240 0.000 2.252 154 I HA -0.285 3.885 4.170 0.000 0.000 0.245 154 I C 2.587 178.501 176.117 -0.339 0.000 1.102 154 I CA 1.491 62.601 61.300 -0.317 0.000 1.385 154 I CB -0.384 37.370 38.000 -0.408 0.000 1.064 154 I HN 0.319 nan 8.210 nan 0.000 0.414 155 K N 1.200 121.379 120.400 -0.369 0.000 2.026 155 K HA -0.227 4.093 4.320 0.000 0.000 0.208 155 K C 1.951 178.295 176.600 -0.428 0.000 1.048 155 K CA 1.733 57.638 56.287 -0.635 0.000 0.929 155 K CB -0.027 32.180 32.500 -0.489 0.000 0.713 155 K HN 0.323 nan 8.250 nan 0.000 0.439 156 E N 0.099 120.137 120.200 -0.271 0.000 2.106 156 E HA -0.210 4.140 4.350 0.000 0.000 0.192 156 E C 1.972 178.417 176.600 -0.259 0.000 0.984 156 E CA 1.341 57.616 56.400 -0.208 0.000 0.806 156 E CB -0.090 29.535 29.700 -0.125 0.000 0.750 156 E HN 0.260 nan 8.360 nan 0.000 0.458 157 M N 1.345 120.748 119.600 -0.328 0.000 2.117 157 M HA -0.164 4.316 4.480 0.000 0.000 0.262 157 M C 2.005 177.878 176.300 -0.711 0.000 1.065 157 M CA 1.601 56.594 55.300 -0.511 0.000 1.114 157 M CB 0.006 32.291 32.600 -0.526 0.000 1.361 157 M HN -0.214 nan 8.290 nan 0.000 0.408 158 K N 0.358 120.432 120.400 -0.543 0.000 2.057 158 K HA 0.035 4.355 4.320 0.000 0.000 0.207 158 K C 1.802 178.265 176.600 -0.229 0.000 1.049 158 K CA 1.866 57.904 56.287 -0.415 0.000 0.931 158 K CB -0.895 31.463 32.500 -0.237 0.000 0.714 158 K HN 0.394 nan 8.250 nan 0.000 0.440 159 A N 0.487 123.177 122.820 -0.217 0.000 1.908 159 A HA -0.184 4.136 4.320 0.000 0.000 0.218 159 A C 2.150 179.705 177.584 -0.048 0.000 1.181 159 A CA 2.048 54.018 52.037 -0.112 0.000 0.627 159 A CB -0.686 18.240 19.000 -0.123 0.000 0.818 159 A HN 0.498 nan 8.150 nan 0.000 0.445 160 E N -0.756 119.401 120.200 -0.073 0.000 2.106 160 E HA -0.127 4.223 4.350 0.000 0.000 0.192 160 E C 1.551 178.284 176.600 0.222 0.000 0.984 160 E CA 1.179 57.602 56.400 0.038 0.000 0.806 160 E CB -0.365 29.342 29.700 0.011 0.000 0.750 160 E HN 0.514 nan 8.360 nan 0.000 0.458 161 F N 0.360 120.279 119.950 -0.052 0.000 2.186 161 F HA -0.033 4.494 4.527 0.000 0.000 0.299 161 F C 2.127 177.916 175.800 -0.019 0.000 1.090 161 F CA 0.619 58.600 58.000 -0.033 0.000 1.307 161 F CB -0.780 38.202 39.000 -0.031 0.000 1.019 161 F HN 0.098 nan 8.300 nan 0.000 0.489 162 I N -0.126 120.552 120.570 0.180 0.000 2.226 162 I HA -0.304 3.866 4.170 0.000 0.000 0.245 162 I C 2.570 178.727 176.117 0.067 0.000 1.100 162 I CA 1.351 62.710 61.300 0.098 0.000 1.374 162 I CB -0.479 37.556 38.000 0.059 0.000 1.057 162 I HN 0.048 nan 8.210 nan 0.000 0.413 163 K N 0.978 121.414 120.400 0.061 0.000 2.026 163 K HA -0.252 4.068 4.320 0.000 0.000 0.208 163 K C 2.202 178.825 176.600 0.039 0.000 1.048 163 K CA 1.527 57.838 56.287 0.040 0.000 0.929 163 K CB -0.126 32.393 32.500 0.031 0.000 0.713 163 K HN 0.185 nan 8.250 nan 0.000 0.439 164 E N 0.244 120.476 120.200 0.054 0.000 2.153 164 E HA -0.162 4.188 4.350 0.000 0.000 0.194 164 E C 1.380 177.986 176.600 0.010 0.000 0.988 164 E CA 1.322 57.738 56.400 0.028 0.000 0.811 164 E CB 0.035 29.747 29.700 0.020 0.000 0.746 164 E HN 0.433 nan 8.360 nan 0.000 0.466 165 A N 0.668 123.499 122.820 0.019 0.000 2.195 165 A HA -0.011 4.309 4.320 0.000 0.000 0.210 165 A C 1.945 179.536 177.584 0.012 0.000 1.165 165 A CA 0.223 52.265 52.037 0.007 0.000 0.806 165 A CB -0.080 18.926 19.000 0.011 0.000 0.847 165 A HN 0.151 nan 8.150 nan 0.000 0.482 166 Q N 0.829 120.640 119.800 0.019 0.000 2.197 166 Q HA -0.156 4.184 4.340 0.000 0.000 0.211 166 Q C -1.423 174.583 176.000 0.009 0.000 0.993 166 Q CA 1.567 57.380 55.803 0.016 0.000 0.883 166 Q CB -1.204 27.544 28.738 0.016 0.000 0.916 166 Q HN 0.462 nan 8.270 nan 0.000 0.418 167 P HA 0.268 nan 4.420 nan 0.000 0.219 167 P C -0.231 177.068 177.300 -0.001 0.000 1.847 167 P CA 0.419 63.520 63.100 0.002 0.000 1.059 167 P CB 0.195 31.895 31.700 0.000 0.000 1.900 168 G N 1.459 110.259 108.800 0.001 0.000 2.212 168 G HA2 -0.319 3.641 3.960 0.000 0.000 0.267 168 G HA3 -0.319 3.641 3.960 0.000 0.000 0.267 168 G C 0.290 175.187 174.900 -0.005 0.000 1.002 168 G CA 0.166 45.266 45.100 -0.001 0.000 0.729 168 G HN 0.425 nan 8.290 nan 0.000 0.517 169 K N -0.476 119.921 120.400 -0.007 0.000 2.090 169 K HA 0.423 4.743 4.320 0.000 0.000 0.250 169 K C 0.495 177.089 176.600 -0.010 0.000 1.004 169 K CA -0.873 55.406 56.287 -0.014 0.000 0.919 169 K CB 0.548 33.035 32.500 -0.022 0.000 1.045 169 K HN -0.081 nan 8.250 nan 0.000 0.471 170 K N 2.751 123.142 120.400 -0.016 0.000 2.383 170 K HA -0.004 4.316 4.320 0.000 0.000 0.286 170 K C -0.398 176.195 176.600 -0.013 0.000 1.051 170 K CA 0.354 56.636 56.287 -0.009 0.000 0.974 170 K CB 0.670 33.162 32.500 -0.014 0.000 0.968 170 K HN 0.528 nan 8.250 nan 0.000 0.475 171 Q N 3.861 123.664 119.800 0.006 0.000 2.330 171 Q HA 0.048 4.388 4.340 0.000 0.000 0.279 171 Q C -0.345 175.649 176.000 -0.011 0.000 1.024 171 Q CA -0.119 55.690 55.803 0.010 0.000 0.900 171 Q CB 0.559 29.330 28.738 0.054 0.000 1.221 171 Q HN 0.497 nan 8.270 nan 0.000 0.396 172 L N 4.389 125.548 121.223 -0.106 0.000 2.426 172 L HA 0.121 4.461 4.340 0.000 0.000 0.271 172 L C 0.010 176.892 176.870 0.020 0.000 1.169 172 L CA -0.189 54.525 54.840 -0.210 0.000 0.836 172 L CB 0.257 41.866 42.059 -0.750 0.000 1.112 172 L HN 0.574 nan 8.230 nan 0.000 0.465 173 L N 3.631 124.902 121.223 0.079 0.000 2.436 173 L HA 0.319 4.659 4.340 0.000 0.000 0.265 173 L C -0.361 176.656 176.870 0.245 0.000 1.168 173 L CA -0.346 54.597 54.840 0.171 0.000 0.815 173 L CB 0.952 43.121 42.059 0.184 0.000 1.109 173 L HN 0.389 nan 8.230 nan 0.000 0.462 174 L N 2.527 123.827 121.223 0.128 0.000 2.406 174 L HA 0.542 4.882 4.340 0.000 0.000 0.272 174 L C -0.222 176.504 176.870 -0.240 0.000 0.980 174 L CA 0.179 55.040 54.840 0.034 0.000 0.831 174 L CB 1.705 43.725 42.059 -0.064 0.000 1.253 174 L HN 0.745 nan 8.230 nan 0.000 0.406 175 S N 3.456 118.956 115.700 -0.334 0.000 2.745 175 S HA 1.049 5.520 4.470 0.000 0.000 0.306 175 S C -0.708 173.765 174.600 -0.212 0.000 1.137 175 S CA -0.269 57.595 58.200 -0.560 0.000 0.900 175 S CB 1.913 64.365 63.200 -1.247 0.000 1.176 175 S HN 1.264 nan 8.310 nan 0.000 0.520 176 A N -0.125 122.622 122.820 -0.122 0.000 2.547 176 A HA 0.839 5.159 4.320 0.000 0.000 0.297 176 A C -0.624 177.027 177.584 0.110 0.000 1.056 176 A CA -0.448 51.607 52.037 0.029 0.000 0.688 176 A CB 1.125 20.127 19.000 0.003 0.000 1.282 176 A HN 1.770 nan 8.150 nan 0.000 0.400 177 A N 2.425 125.346 122.820 0.169 0.000 2.252 177 A HA 0.674 4.994 4.320 0.000 0.000 0.309 177 A C -0.437 177.202 177.584 0.092 0.000 1.285 177 A CA -0.181 51.965 52.037 0.182 0.000 0.900 177 A CB -0.187 18.933 19.000 0.200 0.000 1.157 177 A HN 0.808 nan 8.150 nan 0.000 0.536 178 L N 2.012 123.259 121.223 0.040 0.000 2.334 178 L HA 0.477 4.818 4.340 0.000 0.000 0.273 178 L C 0.923 177.841 176.870 0.080 0.000 1.013 178 L CA -0.729 54.085 54.840 -0.043 0.000 0.816 178 L CB 1.931 43.782 42.059 -0.348 0.000 1.278 178 L HN 0.725 nan 8.230 nan 0.000 0.431 179 S N 1.041 116.835 115.700 0.156 0.000 2.568 179 S HA 0.225 4.695 4.470 0.000 0.000 0.282 179 S C 0.839 175.423 174.600 -0.026 0.000 1.338 179 S CA 0.184 58.309 58.200 -0.125 0.000 1.045 179 S CB 1.196 63.973 63.200 -0.704 0.000 0.873 179 S HN 0.724 nan 8.310 nan 0.000 0.516 180 A N 3.743 126.500 122.820 -0.106 0.000 2.308 180 A HA 0.436 4.756 4.320 0.000 0.000 0.217 180 A C 1.022 178.708 177.584 0.170 0.000 1.216 180 A CA 0.211 52.273 52.037 0.041 0.000 0.864 180 A CB -0.529 18.451 19.000 -0.033 0.000 0.902 180 A HN 0.974 nan 8.150 nan 0.000 0.499 181 G N -0.197 108.614 108.800 0.018 0.000 2.349 181 G HA2 0.324 4.284 3.960 0.000 0.000 0.281 181 G HA3 0.324 4.284 3.960 0.000 0.000 0.281 181 G C 0.666 175.532 174.900 -0.057 0.000 1.182 181 G CA -0.186 44.945 45.100 0.052 0.000 0.899 181 G HN 0.369 nan 8.290 nan 0.000 0.455 182 K N 2.179 122.479 120.400 -0.166 0.000 2.074 182 K HA -0.152 4.168 4.320 0.000 0.000 0.209 182 K C 2.338 178.743 176.600 -0.325 0.000 1.048 182 K CA 1.509 57.593 56.287 -0.338 0.000 0.926 182 K CB -0.091 31.818 32.500 -0.986 0.000 0.713 182 K HN 0.365 nan 8.250 nan 0.000 0.444 183 V N 0.752 120.427 119.914 -0.398 0.000 2.343 183 V HA -0.242 3.879 4.120 0.000 0.000 0.247 183 V C 2.194 178.133 176.094 -0.259 0.000 1.051 183 V CA 2.325 64.450 62.300 -0.291 0.000 1.036 183 V CB -0.612 31.073 31.823 -0.230 0.000 0.654 183 V HN 0.468 nan 8.190 nan 0.000 0.451 184 T N 0.005 114.379 114.554 -0.299 0.000 2.821 184 T HA -0.032 4.318 4.350 0.000 0.000 0.267 184 T C 1.828 176.210 174.700 -0.530 0.000 1.046 184 T CA 1.418 63.255 62.100 -0.439 0.000 1.139 184 T CB -0.222 68.297 68.868 -0.580 0.000 0.871 184 T HN 0.325 nan 8.240 nan 0.000 0.454 185 I N 1.347 121.737 120.570 -0.300 0.000 2.179 185 I HA -0.184 3.986 4.170 0.000 0.000 0.242 185 I C 2.294 178.338 176.117 -0.120 0.000 1.088 185 I CA 1.219 62.447 61.300 -0.121 0.000 1.357 185 I CB -0.306 37.802 38.000 0.180 0.000 1.051 185 I HN 0.131 nan 8.210 nan 0.000 0.409 186 D N 0.275 120.634 120.400 -0.069 0.000 2.144 186 D HA -0.140 4.500 4.640 0.000 0.000 0.199 186 D C 2.369 178.590 176.300 -0.132 0.000 0.984 186 D CA 1.857 55.827 54.000 -0.050 0.000 0.834 186 D CB -0.142 40.640 40.800 -0.029 0.000 0.955 186 D HN 0.373 nan 8.370 nan 0.000 0.465 187 S N -0.954 114.619 115.700 -0.212 0.000 2.458 187 S HA 0.057 4.527 4.470 0.000 0.000 0.223 187 S C 1.830 176.256 174.600 -0.290 0.000 1.019 187 S CA 0.498 58.566 58.200 -0.220 0.000 0.937 187 S CB 0.306 63.377 63.200 -0.216 0.000 0.788 187 S HN 0.001 nan 8.310 nan 0.000 0.511 188 S N -0.409 115.011 115.700 -0.467 0.000 2.549 188 S HA 0.410 4.880 4.470 0.000 0.000 0.225 188 S C -0.832 173.516 174.600 -0.421 0.000 1.039 188 S CA -0.439 57.404 58.200 -0.594 0.000 0.942 188 S CB 0.095 62.720 63.200 -0.958 0.000 0.881 188 S HN 0.538 nan 8.310 nan 0.000 0.503 189 Y N 1.913 122.124 120.300 -0.149 0.000 2.393 189 Y HA 0.561 5.111 4.550 0.000 0.000 0.341 189 Y C -0.356 175.531 175.900 -0.022 0.000 0.988 189 Y CA -2.494 55.580 58.100 -0.043 0.000 1.078 189 Y CB 0.609 39.049 38.460 -0.033 0.000 1.203 189 Y HN -0.075 nan 8.280 nan 0.000 0.453 190 D N 3.913 124.428 120.400 0.192 0.000 2.493 190 D HA 0.188 4.829 4.640 0.000 0.000 0.235 190 D C 0.929 177.267 176.300 0.063 0.000 1.117 190 D CA -0.077 53.971 54.000 0.080 0.000 0.930 190 D CB 0.398 41.231 40.800 0.056 0.000 1.010 190 D HN 0.420 nan 8.370 nan 0.000 0.514 191 I N 2.285 122.878 120.570 0.039 0.000 2.163 191 I HA -0.273 3.897 4.170 0.000 0.000 0.243 191 I C 2.296 178.390 176.117 -0.039 0.000 1.085 191 I CA 1.047 62.342 61.300 -0.008 0.000 1.347 191 I CB -1.284 36.691 38.000 -0.043 0.000 1.044 191 I HN 0.387 nan 8.210 nan 0.000 0.408 192 A N 0.665 123.458 122.820 -0.046 0.000 1.933 192 A HA -0.219 4.101 4.320 0.000 0.000 0.218 192 A C 2.398 179.944 177.584 -0.064 0.000 1.175 192 A CA 1.637 53.639 52.037 -0.057 0.000 0.628 192 A CB -0.439 18.529 19.000 -0.053 0.000 0.814 192 A HN 0.383 nan 8.150 nan 0.000 0.444 193 K N -0.258 120.118 120.400 -0.041 0.000 2.031 193 K HA -0.017 4.303 4.320 0.000 0.000 0.205 193 K C 1.954 178.525 176.600 -0.048 0.000 1.049 193 K CA 1.483 57.746 56.287 -0.039 0.000 0.939 193 K CB -0.414 32.092 32.500 0.010 0.000 0.717 193 K HN 0.763 nan 8.250 nan 0.000 0.438 194 I N -1.561 118.991 120.570 -0.030 0.000 2.493 194 I HA -0.144 4.026 4.170 0.000 0.000 0.254 194 I C 1.823 177.886 176.117 -0.089 0.000 1.160 194 I CA 1.201 62.470 61.300 -0.052 0.000 1.445 194 I CB -0.269 37.660 38.000 -0.119 0.000 1.086 194 I HN -0.116 nan 8.210 nan 0.000 0.433 195 S N 0.921 116.564 115.700 -0.096 0.000 2.400 195 S HA -0.197 4.273 4.470 0.000 0.000 0.232 195 S C 1.960 176.480 174.600 -0.133 0.000 1.025 195 S CA 1.520 59.664 58.200 -0.094 0.000 0.993 195 S CB -0.328 62.828 63.200 -0.074 0.000 0.808 195 S HN 0.604 nan 8.310 nan 0.000 0.478 196 Q N -0.484 119.174 119.800 -0.236 0.000 2.291 196 Q HA -0.065 4.275 4.340 0.000 0.000 0.205 196 Q C 1.413 177.179 176.000 -0.390 0.000 0.970 196 Q CA 0.916 56.514 55.803 -0.342 0.000 0.876 196 Q CB -0.006 28.441 28.738 -0.484 0.000 0.935 196 Q HN 0.640 nan 8.270 nan 0.000 0.455 197 H N -1.092 117.930 119.070 -0.079 0.000 2.639 197 H HA 0.198 4.755 4.556 0.000 0.000 0.267 197 H C 0.370 175.632 175.328 -0.111 0.000 0.958 197 H CA 0.154 56.143 56.048 -0.098 0.000 1.221 197 H CB 0.540 30.223 29.762 -0.133 0.000 1.446 197 H HN 0.112 nan 8.280 nan 0.000 0.512 198 L N 1.565 122.772 121.223 -0.026 0.000 2.350 198 L HA 0.070 4.410 4.340 0.000 0.000 0.275 198 L C 1.206 178.050 176.870 -0.042 0.000 1.099 198 L CA -0.299 54.495 54.840 -0.076 0.000 0.808 198 L CB 1.175 43.169 42.059 -0.109 0.000 1.149 198 L HN 0.004 nan 8.230 nan 0.000 0.442 199 D N 1.940 122.303 120.400 -0.062 0.000 2.183 199 D HA 0.002 4.642 4.640 0.000 0.000 0.203 199 D C -0.152 176.255 176.300 0.178 0.000 0.969 199 D CA 1.435 55.465 54.000 0.049 0.000 0.842 199 D CB 0.321 41.167 40.800 0.076 0.000 0.957 199 D HN 0.346 nan 8.370 nan 0.000 0.484 200 F N -1.437 118.515 119.950 0.003 0.000 2.719 200 F HA 0.520 5.047 4.527 0.000 0.000 0.309 200 F C -1.612 174.191 175.800 0.005 0.000 1.138 200 F CA -1.337 56.659 58.000 -0.006 0.000 0.943 200 F CB 0.978 39.959 39.000 -0.031 0.000 1.304 200 F HN -0.390 nan 8.300 nan 0.000 0.445 201 I N 1.963 122.706 120.570 0.288 0.000 2.436 201 I HA 0.403 4.574 4.170 0.000 0.000 0.289 201 I C -0.715 175.564 176.117 0.269 0.000 1.010 201 I CA -0.694 60.708 61.300 0.170 0.000 1.098 201 I CB 2.198 40.235 38.000 0.061 0.000 1.266 201 I HN 0.647 nan 8.210 nan 0.000 0.434 202 S N 7.035 122.910 115.700 0.291 0.000 2.422 202 S HA 0.450 4.920 4.470 0.000 0.000 0.298 202 S C -0.228 174.487 174.600 0.191 0.000 1.118 202 S CA -0.413 57.969 58.200 0.304 0.000 1.083 202 S CB 0.760 64.231 63.200 0.452 0.000 0.971 202 S HN 0.443 nan 8.310 nan 0.000 0.478 203 I N 4.112 124.767 120.570 0.143 0.000 2.371 203 I HA 0.277 4.447 4.170 0.000 0.000 0.290 203 I C -0.180 175.939 176.117 0.004 0.000 1.028 203 I CA -0.781 60.561 61.300 0.071 0.000 1.345 203 I CB 0.700 38.749 38.000 0.082 0.000 1.407 203 I HN 0.623 nan 8.210 nan 0.000 0.501 204 M N 7.297 126.816 119.600 -0.136 0.000 3.422 204 M HA 0.126 4.606 4.480 0.000 0.000 0.248 204 M C 0.332 176.128 176.300 -0.840 0.000 1.433 204 M CA -0.239 54.735 55.300 -0.544 0.000 1.592 204 M CB -0.522 31.807 32.600 -0.451 0.000 1.078 204 M HN 0.540 nan 8.290 nan 0.000 0.578 205 T N 0.229 114.487 114.554 -0.494 0.000 4.313 205 T HA 0.332 4.683 4.350 0.000 0.000 0.272 205 T C -0.561 174.009 174.700 -0.217 0.000 1.298 205 T CA -0.280 61.659 62.100 -0.269 0.000 1.124 205 T CB -1.122 67.811 68.868 0.109 0.000 1.352 205 T HN 0.551 nan 8.240 nan 0.000 1.013 206 Y N -2.856 117.226 120.300 -0.364 0.000 2.779 206 Y HA 0.509 5.059 4.550 0.000 0.000 0.340 206 Y C -0.395 175.417 175.900 -0.146 0.000 1.252 206 Y CA -1.855 56.158 58.100 -0.145 0.000 1.072 206 Y CB -0.068 38.434 38.460 0.070 0.000 1.343 206 Y HN 0.140 nan 8.280 nan 0.000 0.450 207 D N -0.260 120.488 120.400 0.581 0.000 2.870 207 D HA -0.194 4.446 4.640 0.000 0.000 0.228 207 D C -0.868 175.361 176.300 -0.119 0.000 1.147 207 D CA 0.993 55.139 54.000 0.243 0.000 0.757 207 D CB -1.096 39.839 40.800 0.225 0.000 1.091 207 D HN 0.421 nan 8.370 nan 0.000 0.429 208 F N 0.253 120.239 119.950 0.060 0.000 2.450 208 F HA 0.154 4.681 4.527 0.000 0.000 0.339 208 F C 1.916 177.617 175.800 -0.165 0.000 1.146 208 F CA 0.319 58.304 58.000 -0.024 0.000 1.267 208 F CB 0.545 39.559 39.000 0.024 0.000 1.178 208 F HN 0.026 nan 8.300 nan 0.000 0.585 209 H N 2.161 121.406 119.070 0.291 0.000 2.351 209 H HA 0.212 4.768 4.556 0.000 0.000 0.232 209 H C 1.060 176.412 175.328 0.040 0.000 1.452 209 H CA 0.130 56.270 56.048 0.152 0.000 1.236 209 H CB 0.375 30.200 29.762 0.104 0.000 1.579 209 H HN 0.868 nan 8.280 nan 0.000 0.535 210 G N 0.499 109.338 108.800 0.065 0.000 2.838 210 G HA2 0.172 4.133 3.960 0.000 0.000 0.210 210 G HA3 0.172 4.133 3.960 0.000 0.000 0.210 210 G C 0.856 175.614 174.900 -0.236 0.000 1.153 210 G CA 0.231 45.248 45.100 -0.138 0.000 0.778 210 G HN 0.462 nan 8.290 nan 0.000 0.539 211 A N -0.194 122.542 122.820 -0.140 0.000 2.371 211 A HA 0.515 4.836 4.320 0.000 0.000 0.257 211 A C -0.462 177.005 177.584 -0.196 0.000 1.089 211 A CA -0.684 51.241 52.037 -0.186 0.000 0.794 211 A CB 0.283 19.166 19.000 -0.196 0.000 1.029 211 A HN 0.323 nan 8.150 nan 0.000 0.488 212 W N 1.715 122.937 121.300 -0.130 0.000 2.223 212 W HA 0.222 4.882 4.660 0.000 0.000 0.334 212 W C 1.339 177.787 176.519 -0.118 0.000 1.334 212 W CA 0.008 57.287 57.345 -0.111 0.000 1.246 212 W CB 0.467 29.859 29.460 -0.114 0.000 1.184 212 W HN 0.630 nan 8.180 nan 0.000 0.563 213 R N 2.480 123.089 120.500 0.181 0.000 2.538 213 R HA -0.018 4.322 4.340 0.000 0.000 0.273 213 R C 1.025 177.339 176.300 0.022 0.000 0.967 213 R CA 1.468 57.612 56.100 0.074 0.000 1.101 213 R CB -0.288 30.060 30.300 0.081 0.000 0.908 213 R HN 1.024 nan 8.270 nan 0.000 0.411 214 G N 2.600 111.375 108.800 -0.041 0.000 2.143 214 G HA2 -0.283 3.677 3.960 0.000 0.000 0.248 214 G HA3 -0.283 3.677 3.960 0.000 0.000 0.248 214 G C 0.015 174.815 174.900 -0.166 0.000 0.991 214 G CA 0.749 45.799 45.100 -0.084 0.000 0.689 214 G HN 1.008 nan 8.290 nan 0.000 0.522 215 T N -2.611 111.792 114.554 -0.252 0.000 2.883 215 T HA 0.768 5.118 4.350 0.000 0.000 0.296 215 T C 0.205 174.469 174.700 -0.727 0.000 1.117 215 T CA 0.362 62.242 62.100 -0.367 0.000 1.006 215 T CB 1.870 70.621 68.868 -0.195 0.000 1.191 215 T HN 1.275 nan 8.240 nan 0.000 0.508 216 T N -1.196 112.810 114.554 -0.913 0.000 2.899 216 T HA 0.662 5.012 4.350 0.000 0.000 0.295 216 T C 0.478 174.636 174.700 -0.904 0.000 1.033 216 T CA -0.230 60.983 62.100 -1.478 0.000 1.084 216 T CB 0.606 68.257 68.868 -2.028 0.000 0.979 216 T HN 1.461 nan 8.240 nan 0.000 0.532 217 G N 0.438 108.845 108.800 -0.656 0.000 2.702 217 G HA2 0.375 4.335 3.960 0.000 0.000 0.296 217 G HA3 0.375 4.335 3.960 0.000 0.000 0.296 217 G C -1.513 173.610 174.900 0.371 0.000 1.463 217 G CA -0.834 44.224 45.100 -0.069 0.000 0.890 217 G HN 0.986 nan 8.290 nan 0.000 0.534 218 H N 0.527 119.823 119.070 0.377 0.000 2.683 218 H HA 0.137 4.693 4.556 0.000 0.000 0.339 218 H C 1.445 176.959 175.328 0.311 0.000 1.081 218 H CA 0.565 56.866 56.048 0.423 0.000 1.432 218 H CB 1.213 31.136 29.762 0.269 0.000 1.462 218 H HN 0.833 nan 8.280 nan 0.000 0.557 219 H N 1.216 120.434 119.070 0.248 0.000 2.551 219 H HA 0.128 4.684 4.556 0.000 0.000 0.266 219 H C 0.271 175.870 175.328 0.450 0.000 0.977 219 H CA 0.421 56.639 56.048 0.283 0.000 1.163 219 H CB 0.578 30.421 29.762 0.135 0.000 1.381 219 H HN 0.237 nan 8.280 nan 0.000 0.581 220 S N 1.777 117.520 115.700 0.072 0.000 2.407 220 S HA 0.253 4.723 4.470 0.000 0.000 0.166 220 S C -2.915 171.679 174.600 -0.011 0.000 1.445 220 S CA -1.273 56.956 58.200 0.048 0.000 1.260 220 S CB 0.134 63.142 63.200 -0.319 0.000 1.401 220 S HN 0.236 nan 8.310 nan 0.000 0.379 221 P HA 0.165 nan 4.420 nan 0.000 0.275 221 P C 0.842 177.970 177.300 -0.287 0.000 1.228 221 P CA -0.571 62.380 63.100 -0.248 0.000 0.786 221 P CB 1.042 32.648 31.700 -0.156 0.000 0.927 222 L N 2.423 123.424 121.223 -0.370 0.000 2.131 222 L HA 0.201 4.542 4.340 0.000 0.000 0.206 222 L C 0.316 176.629 176.870 -0.927 0.000 1.087 222 L CA 1.719 56.156 54.840 -0.672 0.000 0.767 222 L CB -0.655 40.956 42.059 -0.748 0.000 0.917 222 L HN 0.235 nan 8.230 nan 0.000 0.441 223 F N -2.166 117.659 119.950 -0.208 0.000 2.631 223 F HA 0.410 4.937 4.527 0.000 0.000 0.328 223 F C 1.557 177.268 175.800 -0.149 0.000 1.067 223 F CA -0.774 57.130 58.000 -0.160 0.000 0.969 223 F CB 0.835 39.770 39.000 -0.108 0.000 1.332 223 F HN -0.316 nan 8.300 nan 0.000 0.490 224 R N 0.884 121.438 120.500 0.090 0.000 2.091 224 R HA 0.147 4.487 4.340 0.000 0.000 0.238 224 R C 0.961 177.256 176.300 -0.009 0.000 1.136 224 R CA 1.622 57.706 56.100 -0.027 0.000 0.959 224 R CB -0.580 29.703 30.300 -0.028 0.000 0.856 224 R HN 1.043 nan 8.270 nan 0.000 0.437 225 G N -0.012 108.812 108.800 0.040 0.000 2.542 225 G HA2 -0.386 3.574 3.960 0.000 0.000 0.235 225 G HA3 -0.386 3.574 3.960 0.000 0.000 0.235 225 G C -0.981 173.921 174.900 0.004 0.000 1.286 225 G CA 0.147 45.262 45.100 0.025 0.000 0.904 225 G HN 0.585 nan 8.290 nan 0.000 0.577 226 Q N 0.413 120.220 119.800 0.012 0.000 2.478 226 Q HA 0.048 4.388 4.340 0.000 0.000 0.323 226 Q C 1.557 177.558 176.000 0.002 0.000 1.087 226 Q CA 0.999 56.809 55.803 0.011 0.000 1.056 226 Q CB 0.335 29.088 28.738 0.025 0.000 1.018 226 Q HN 0.602 nan 8.270 nan 0.000 0.387 227 E N 3.258 123.457 120.200 -0.001 0.000 2.118 227 E HA -0.227 4.124 4.350 0.000 0.000 0.195 227 E C 0.575 177.179 176.600 0.005 0.000 0.992 227 E CA 1.828 58.225 56.400 -0.006 0.000 0.804 227 E CB 0.225 29.922 29.700 -0.004 0.000 0.741 227 E HN 0.866 nan 8.360 nan 0.000 0.458 228 D N -1.143 119.270 120.400 0.021 0.000 2.328 228 D HA 0.067 4.707 4.640 0.000 0.000 0.221 228 D C 0.962 177.313 176.300 0.084 0.000 1.072 228 D CA 0.592 54.618 54.000 0.044 0.000 0.850 228 D CB 0.284 41.101 40.800 0.028 0.000 0.922 228 D HN 0.122 nan 8.370 nan 0.000 0.516 229 A N -0.054 122.811 122.820 0.075 0.000 2.348 229 A HA 0.358 4.678 4.320 0.000 0.000 0.224 229 A C 0.788 178.449 177.584 0.129 0.000 1.227 229 A CA -0.124 51.982 52.037 0.116 0.000 0.885 229 A CB -0.005 19.033 19.000 0.063 0.000 0.933 229 A HN 0.234 nan 8.150 nan 0.000 0.506 230 S N -1.050 114.662 115.700 0.019 0.000 2.537 230 S HA 0.578 5.049 4.470 0.000 0.000 0.301 230 S C -2.246 172.092 174.600 -0.436 0.000 1.092 230 S CA -1.302 56.766 58.200 -0.221 0.000 1.048 230 S CB 1.757 64.809 63.200 -0.247 0.000 1.053 230 S HN -0.042 nan 8.310 nan 0.000 0.501 231 P HA 0.020 nan 4.420 nan 0.000 0.216 231 P C -0.233 176.606 177.300 -0.768 0.000 1.153 231 P CA 1.479 63.677 63.100 -1.504 0.000 0.848 231 P CB -0.119 30.662 31.700 -1.532 0.000 0.787 232 D N -3.576 116.387 120.400 -0.728 0.000 2.652 232 D HA 0.202 4.842 4.640 0.000 0.000 0.285 232 D C 0.509 176.368 176.300 -0.735 0.000 1.173 232 D CA -0.986 52.540 54.000 -0.790 0.000 0.981 232 D CB 0.517 40.511 40.800 -1.344 0.000 1.440 232 D HN -0.107 nan 8.370 nan 0.000 0.485 233 R N -0.464 119.597 120.500 -0.732 0.000 2.334 233 R HA 0.201 4.541 4.340 0.000 0.000 0.216 233 R C 0.245 176.167 176.300 -0.629 0.000 0.905 233 R CA 0.126 55.939 56.100 -0.478 0.000 1.064 233 R CB -0.488 29.672 30.300 -0.233 0.000 1.046 233 R HN 0.453 nan 8.270 nan 0.000 0.508 234 F N -1.636 117.893 119.950 -0.701 0.000 2.682 234 F HA 0.522 5.049 4.527 0.000 0.000 0.308 234 F C 0.164 175.616 175.800 -0.580 0.000 1.093 234 F CA -1.146 56.257 58.000 -0.995 0.000 1.244 234 F CB 0.294 38.429 39.000 -1.442 0.000 1.052 234 F HN -0.211 nan 8.300 nan 0.000 0.573 235 S N 2.367 117.722 115.700 -0.576 0.000 3.697 235 S HA 0.241 4.711 4.470 0.000 0.000 0.207 235 S C -0.492 173.389 174.600 -1.199 0.000 1.459 235 S CA -0.362 57.446 58.200 -0.655 0.000 1.122 235 S CB -1.489 61.488 63.200 -0.371 0.000 1.311 235 S HN 0.728 nan 8.310 nan 0.000 0.487 236 N N -2.493 115.440 118.700 -1.279 0.000 2.710 236 N HA 0.285 5.025 4.740 0.000 0.000 0.257 236 N C 0.395 175.571 175.510 -0.555 0.000 1.327 236 N CA -0.847 51.636 53.050 -0.945 0.000 0.861 236 N CB 0.217 38.447 38.487 -0.428 0.000 1.532 236 N HN -0.203 nan 8.380 nan 0.000 0.499 237 T N -0.713 113.675 114.554 -0.277 0.000 2.684 237 T HA -0.209 4.141 4.350 0.000 0.000 0.267 237 T C 0.994 175.617 174.700 -0.128 0.000 1.036 237 T CA 2.072 64.131 62.100 -0.068 0.000 1.148 237 T CB -0.622 68.130 68.868 -0.193 0.000 0.863 237 T HN 0.787 nan 8.240 nan 0.000 0.436 238 D N -0.040 120.150 120.400 -0.350 0.000 2.104 238 D HA -0.173 4.467 4.640 0.000 0.000 0.194 238 D C 1.895 178.242 176.300 0.078 0.000 0.994 238 D CA 1.165 55.046 54.000 -0.198 0.000 0.830 238 D CB -0.375 40.273 40.800 -0.254 0.000 0.959 238 D HN 0.453 nan 8.370 nan 0.000 0.452 239 Y N 0.780 121.068 120.300 -0.020 0.000 2.128 239 Y HA -0.156 4.394 4.550 0.000 0.000 0.284 239 Y C 2.272 178.239 175.900 0.111 0.000 1.154 239 Y CA 2.168 60.294 58.100 0.043 0.000 1.149 239 Y CB -0.826 37.629 38.460 -0.008 0.000 0.976 239 Y HN 0.062 nan 8.280 nan 0.000 0.505 240 A N -0.619 122.402 122.820 0.335 0.000 1.883 240 A HA -0.185 4.135 4.320 0.000 0.000 0.217 240 A C 2.378 180.095 177.584 0.223 0.000 1.186 240 A CA 2.225 54.468 52.037 0.345 0.000 0.624 240 A CB -1.393 17.847 19.000 0.400 0.000 0.822 240 A HN 0.353 nan 8.150 nan 0.000 0.444 241 V N -0.169 119.856 119.914 0.185 0.000 2.295 241 V HA -0.178 3.942 4.120 0.000 0.000 0.246 241 V C 2.836 178.998 176.094 0.114 0.000 1.049 241 V CA 2.048 64.449 62.300 0.169 0.000 1.024 241 V CB -1.439 30.540 31.823 0.260 0.000 0.648 241 V HN 0.624 nan 8.190 nan 0.000 0.447 242 G N -1.796 107.056 108.800 0.087 0.000 2.422 242 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 242 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 242 G C 1.554 176.456 174.900 0.004 0.000 1.146 242 G CA 1.071 46.184 45.100 0.021 0.000 0.769 242 G HN 0.513 nan 8.290 nan 0.000 0.547 243 Y N 0.667 120.839 120.300 -0.213 0.000 2.163 243 Y HA 0.055 4.605 4.550 0.000 0.000 0.288 243 Y C 2.901 178.768 175.900 -0.056 0.000 1.136 243 Y CA 1.384 59.374 58.100 -0.184 0.000 1.147 243 Y CB -0.249 38.102 38.460 -0.180 0.000 0.987 243 Y HN 0.119 nan 8.280 nan 0.000 0.509 244 M N -0.901 118.719 119.600 0.033 0.000 2.159 244 M HA -0.242 4.238 4.480 0.000 0.000 0.263 244 M C 2.126 178.388 176.300 -0.063 0.000 1.063 244 M CA 1.562 56.835 55.300 -0.045 0.000 1.110 244 M CB -0.390 32.231 32.600 0.035 0.000 1.374 244 M HN 0.316 nan 8.290 nan 0.000 0.411 245 L N -0.913 120.295 121.223 -0.025 0.000 2.046 245 L HA -0.243 4.097 4.340 0.000 0.000 0.208 245 L C 2.611 179.446 176.870 -0.058 0.000 1.077 245 L CA 1.342 56.164 54.840 -0.029 0.000 0.747 245 L CB -0.674 41.380 42.059 -0.008 0.000 0.896 245 L HN 0.311 nan 8.230 nan 0.000 0.432 246 R N 0.530 120.985 120.500 -0.075 0.000 2.120 246 R HA -0.130 4.210 4.340 0.000 0.000 0.234 246 R C 2.163 178.383 176.300 -0.134 0.000 1.123 246 R CA 1.086 57.134 56.100 -0.085 0.000 0.975 246 R CB -0.123 30.141 30.300 -0.060 0.000 0.866 246 R HN 0.342 nan 8.270 nan 0.000 0.446 247 L N -0.870 120.224 121.223 -0.216 0.000 2.551 247 L HA 0.082 4.422 4.340 0.000 0.000 0.228 247 L C 1.271 178.064 176.870 -0.127 0.000 1.153 247 L CA 0.869 55.577 54.840 -0.220 0.000 0.851 247 L CB 0.217 42.085 42.059 -0.318 0.000 0.959 247 L HN 0.639 nan 8.230 nan 0.000 0.451 248 G N -0.863 107.879 108.800 -0.097 0.000 2.205 248 G HA2 -0.163 3.797 3.960 0.000 0.000 0.180 248 G HA3 -0.163 3.797 3.960 0.000 0.000 0.180 248 G C 0.314 175.180 174.900 -0.057 0.000 1.004 248 G CA -0.235 44.824 45.100 -0.069 0.000 0.670 248 G HN 0.384 nan 8.290 nan 0.000 0.496 249 A N 1.295 124.083 122.820 -0.053 0.000 2.454 249 A HA 0.653 4.973 4.320 0.000 0.000 0.260 249 A C -1.711 175.860 177.584 -0.022 0.000 1.106 249 A CA -0.699 51.318 52.037 -0.034 0.000 0.780 249 A CB 0.073 19.061 19.000 -0.021 0.000 1.044 249 A HN 0.142 nan 8.150 nan 0.000 0.498 250 P HA 0.209 nan 4.420 nan 0.000 0.271 250 P C 0.871 178.174 177.300 0.005 0.000 1.216 250 P CA 0.394 63.488 63.100 -0.011 0.000 0.776 250 P CB 1.037 32.731 31.700 -0.011 0.000 0.881 251 A N 3.034 125.856 122.820 0.004 0.000 1.978 251 A HA -0.195 4.125 4.320 0.000 0.000 0.220 251 A C 2.024 179.623 177.584 0.026 0.000 1.170 251 A CA 2.237 54.283 52.037 0.015 0.000 0.636 251 A CB -1.609 17.394 19.000 0.006 0.000 0.810 251 A HN 0.606 nan 8.150 nan 0.000 0.448 252 S N -0.949 114.760 115.700 0.016 0.000 2.547 252 S HA -0.017 4.453 4.470 0.000 0.000 0.235 252 S C 1.303 175.926 174.600 0.037 0.000 0.980 252 S CA 1.266 59.476 58.200 0.017 0.000 0.941 252 S CB -0.149 63.053 63.200 0.002 0.000 0.763 252 S HN 0.631 nan 8.310 nan 0.000 0.532 253 K N -0.194 120.236 120.400 0.050 0.000 2.402 253 K HA 0.346 4.666 4.320 0.000 0.000 0.204 253 K C -0.667 176.002 176.600 0.114 0.000 1.056 253 K CA -0.282 56.060 56.287 0.091 0.000 1.069 253 K CB 0.446 32.988 32.500 0.071 0.000 0.888 253 K HN 0.257 nan 8.250 nan 0.000 0.546 254 L N 1.914 123.187 121.223 0.082 0.000 2.264 254 L HA 0.272 4.613 4.340 0.000 0.000 0.289 254 L C -0.894 176.031 176.870 0.093 0.000 1.044 254 L CA -0.526 54.369 54.840 0.092 0.000 0.807 254 L CB 1.391 43.492 42.059 0.070 0.000 1.192 254 L HN -0.260 nan 8.230 nan 0.000 0.425 255 V N 6.426 126.407 119.914 0.113 0.000 2.417 255 V HA 0.407 4.527 4.120 0.000 0.000 0.291 255 V C 0.220 176.392 176.094 0.130 0.000 1.024 255 V CA -0.539 61.812 62.300 0.085 0.000 0.861 255 V CB 1.513 33.347 31.823 0.019 0.000 0.985 255 V HN 0.822 nan 8.190 nan 0.000 0.436 256 M N 4.031 123.705 119.600 0.124 0.000 2.108 256 M HA 0.527 5.007 4.480 0.000 0.000 0.354 256 M C 0.675 177.084 176.300 0.182 0.000 1.229 256 M CA -0.225 55.164 55.300 0.148 0.000 1.081 256 M CB 0.714 33.403 32.600 0.148 0.000 1.606 256 M HN 0.828 nan 8.290 nan 0.000 0.467 257 G N 6.141 115.071 108.800 0.217 0.000 2.406 257 G HA2 0.481 4.441 3.960 0.000 0.000 0.251 257 G HA3 0.481 4.441 3.960 0.000 0.000 0.251 257 G C -0.727 174.391 174.900 0.365 0.000 1.271 257 G CA -0.468 44.844 45.100 0.354 0.000 0.859 257 G HN 0.799 nan 8.290 nan 0.000 0.540 258 I N 4.392 125.174 120.570 0.354 0.000 2.499 258 I HA 0.311 4.481 4.170 0.000 0.000 0.288 258 I C -2.199 174.018 176.117 0.166 0.000 1.048 258 I CA -2.263 59.168 61.300 0.218 0.000 1.062 258 I CB 3.283 41.353 38.000 0.117 0.000 1.238 258 I HN 0.340 nan 8.210 nan 0.000 0.426 259 P HA 0.197 nan 4.420 nan 0.000 0.286 259 P C 0.206 177.444 177.300 -0.104 0.000 1.261 259 P CA -0.284 62.697 63.100 -0.198 0.000 0.821 259 P CB 1.514 32.822 31.700 -0.654 0.000 1.013 260 T N -1.411 113.166 114.554 0.039 0.000 3.054 260 T HA 0.262 4.612 4.350 0.000 0.000 0.255 260 T C 0.564 175.362 174.700 0.164 0.000 1.035 260 T CA -0.213 61.930 62.100 0.071 0.000 0.941 260 T CB -0.774 68.173 68.868 0.132 0.000 1.026 260 T HN 0.375 nan 8.240 nan 0.000 0.533 261 F N 0.315 120.330 119.950 0.109 0.000 2.557 261 F HA 0.917 5.444 4.527 0.000 0.000 0.336 261 F C 0.192 176.055 175.800 0.104 0.000 1.058 261 F CA -1.862 56.177 58.000 0.064 0.000 0.988 261 F CB 0.775 39.767 39.000 -0.014 0.000 1.275 261 F HN 0.052 nan 8.300 nan 0.000 0.488 262 G N 0.539 109.418 108.800 0.132 0.000 2.473 262 G HA2 0.634 4.594 3.960 0.000 0.000 0.321 262 G HA3 0.634 4.594 3.960 0.000 0.000 0.321 262 G C -1.393 173.443 174.900 -0.107 0.000 1.200 262 G CA -1.213 43.895 45.100 0.015 0.000 0.963 262 G HN 0.525 nan 8.290 nan 0.000 0.483 263 R N 0.447 120.787 120.500 -0.267 0.000 2.393 263 R HA 0.547 4.887 4.340 0.000 0.000 0.315 263 R C -0.044 175.983 176.300 -0.454 0.000 0.952 263 R CA -0.645 55.238 56.100 -0.361 0.000 0.842 263 R CB 1.317 31.366 30.300 -0.418 0.000 1.163 263 R HN 0.725 nan 8.270 nan 0.000 0.450 264 S N 2.017 117.384 115.700 -0.555 0.000 2.638 264 S HA 0.844 5.314 4.470 0.000 0.000 0.298 264 S C -0.506 173.602 174.600 -0.820 0.000 1.111 264 S CA -0.558 57.320 58.200 -0.537 0.000 1.027 264 S CB 1.341 64.366 63.200 -0.293 0.000 1.064 264 S HN 0.323 nan 8.310 nan 0.000 0.525 265 F N -0.760 119.255 119.950 0.108 0.000 2.626 265 F HA 0.513 5.040 4.527 0.000 0.000 0.311 265 F C 0.108 175.951 175.800 0.072 0.000 1.088 265 F CA -0.839 57.187 58.000 0.043 0.000 0.949 265 F CB 1.970 40.937 39.000 -0.056 0.000 1.322 265 F HN 0.492 nan 8.300 nan 0.000 0.461 266 T N 3.354 118.051 114.554 0.239 0.000 2.733 266 T HA 0.508 4.858 4.350 0.000 0.000 0.294 266 T C -0.061 174.718 174.700 0.132 0.000 0.956 266 T CA -0.480 61.720 62.100 0.166 0.000 0.987 266 T CB 0.260 69.195 68.868 0.112 0.000 0.920 266 T HN 0.298 nan 8.240 nan 0.000 0.470 267 L N 2.380 123.685 121.223 0.135 0.000 2.426 267 L HA 0.361 4.701 4.340 0.000 0.000 0.271 267 L C 1.322 178.222 176.870 0.049 0.000 1.169 267 L CA -0.435 54.450 54.840 0.076 0.000 0.836 267 L CB 0.550 42.684 42.059 0.125 0.000 1.112 267 L HN 0.754 nan 8.230 nan 0.000 0.465 268 A N 1.710 124.536 122.820 0.010 0.000 2.348 268 A HA 0.300 4.621 4.320 0.000 0.000 0.224 268 A C 0.648 178.239 177.584 0.010 0.000 1.227 268 A CA 0.571 52.612 52.037 0.008 0.000 0.885 268 A CB 0.009 19.001 19.000 -0.014 0.000 0.933 268 A HN 0.769 nan 8.150 nan 0.000 0.506 269 S N -2.178 113.533 115.700 0.018 0.000 2.800 269 S HA 0.326 4.796 4.470 0.000 0.000 0.293 269 S C 0.766 175.391 174.600 0.040 0.000 1.209 269 S CA 0.448 58.660 58.200 0.021 0.000 0.884 269 S CB 0.286 63.488 63.200 0.004 0.000 1.244 269 S HN 0.712 nan 8.310 nan 0.000 0.540 270 S N -0.503 115.221 115.700 0.039 0.000 2.522 270 S HA 0.153 4.623 4.470 0.000 0.000 0.227 270 S C 0.255 174.894 174.600 0.065 0.000 0.986 270 S CA 0.060 58.294 58.200 0.055 0.000 0.929 270 S CB -0.754 62.474 63.200 0.046 0.000 0.769 270 S HN 0.681 nan 8.310 nan 0.000 0.529 271 E N 1.851 122.078 120.200 0.045 0.000 2.344 271 E HA 0.212 4.563 4.350 0.000 0.000 0.270 271 E C 0.604 177.249 176.600 0.076 0.000 1.021 271 E CA 0.454 56.880 56.400 0.043 0.000 0.887 271 E CB 0.813 30.514 29.700 0.002 0.000 0.997 271 E HN 0.567 nan 8.360 nan 0.000 0.429 272 T N -0.748 113.882 114.554 0.126 0.000 3.058 272 T HA 0.240 4.590 4.350 0.000 0.000 0.278 272 T C 0.791 175.682 174.700 0.318 0.000 0.974 272 T CA -0.216 62.043 62.100 0.265 0.000 0.893 272 T CB 0.533 69.597 68.868 0.325 0.000 1.138 272 T HN 0.377 nan 8.240 nan 0.000 0.529 273 G N 1.327 110.217 108.800 0.150 0.000 2.553 273 G HA2 0.502 4.462 3.960 0.000 0.000 0.278 273 G HA3 0.502 4.462 3.960 0.000 0.000 0.278 273 G C -0.385 174.518 174.900 0.007 0.000 1.349 273 G CA -0.547 44.633 45.100 0.134 0.000 1.037 273 G HN 0.321 nan 8.290 nan 0.000 0.508 274 V N 0.502 120.424 119.914 0.013 0.000 2.572 274 V HA 0.454 4.575 4.120 0.000 0.000 0.291 274 V C 1.490 177.518 176.094 -0.110 0.000 1.039 274 V CA 1.567 63.843 62.300 -0.041 0.000 1.055 274 V CB 0.463 32.339 31.823 0.088 0.000 0.969 274 V HN 1.779 nan 8.190 nan 0.000 0.482 275 G N 3.677 112.339 108.800 -0.231 0.000 2.176 275 G HA2 -0.112 3.848 3.960 0.000 0.000 0.253 275 G HA3 -0.112 3.848 3.960 0.000 0.000 0.253 275 G C 0.406 175.185 174.900 -0.201 0.000 0.979 275 G CA 0.139 45.138 45.100 -0.169 0.000 0.641 275 G HN 1.461 nan 8.290 nan 0.000 0.530 276 A N 1.116 123.770 122.820 -0.276 0.000 2.425 276 A HA 0.655 4.975 4.320 0.000 0.000 0.242 276 A C -1.266 176.167 177.584 -0.252 0.000 1.077 276 A CA -0.509 51.397 52.037 -0.218 0.000 0.781 276 A CB 0.313 19.194 19.000 -0.198 0.000 1.020 276 A HN 0.251 nan 8.150 nan 0.000 0.494 277 P HA 0.331 nan 4.420 nan 0.000 0.271 277 P C -0.583 176.622 177.300 -0.158 0.000 1.216 277 P CA 0.349 63.358 63.100 -0.151 0.000 0.776 277 P CB 0.517 32.162 31.700 -0.092 0.000 0.881 278 I N -1.068 119.404 120.570 -0.164 0.000 2.957 278 I HA 0.528 4.698 4.170 0.000 0.000 0.310 278 I C 0.713 176.803 176.117 -0.044 0.000 1.063 278 I CA -0.927 60.306 61.300 -0.111 0.000 1.033 278 I CB 2.264 40.163 38.000 -0.169 0.000 1.230 278 I HN 0.201 nan 8.210 nan 0.000 0.447 279 S N 0.785 116.489 115.700 0.006 0.000 2.523 279 S HA 0.715 5.186 4.470 0.000 0.000 0.217 279 S C 0.586 175.209 174.600 0.037 0.000 0.996 279 S CA 0.135 58.345 58.200 0.016 0.000 0.921 279 S CB 0.142 63.355 63.200 0.023 0.000 0.829 279 S HN 1.485 nan 8.310 nan 0.000 0.495 280 G N 1.484 110.326 108.800 0.070 0.000 2.333 280 G HA2 0.373 4.333 3.960 0.000 0.000 0.288 280 G HA3 0.373 4.333 3.960 0.000 0.000 0.288 280 G C -3.521 171.474 174.900 0.159 0.000 1.286 280 G CA -0.675 44.482 45.100 0.095 0.000 0.865 280 G HN 0.083 nan 8.290 nan 0.000 0.506 281 P HA 0.394 nan 4.420 nan 0.000 0.272 281 P C 0.743 178.067 177.300 0.040 0.000 1.240 281 P CA 0.479 63.622 63.100 0.072 0.000 0.791 281 P CB 0.650 32.356 31.700 0.011 0.000 0.978 282 G N 0.733 109.510 108.800 -0.039 0.000 2.606 282 G HA2 0.296 4.257 3.960 0.000 0.000 0.252 282 G HA3 0.296 4.257 3.960 0.000 0.000 0.252 282 G C 0.151 175.040 174.900 -0.018 0.000 1.206 282 G CA -0.794 44.294 45.100 -0.021 0.000 0.861 282 G HN 0.435 nan 8.290 nan 0.000 0.561 283 I N 1.809 122.385 120.570 0.009 0.000 2.710 283 I HA 0.054 4.224 4.170 0.000 0.000 0.286 283 I C -1.609 174.498 176.117 -0.016 0.000 1.181 283 I CA -1.143 60.164 61.300 0.012 0.000 1.430 283 I CB 0.986 39.013 38.000 0.045 0.000 1.367 283 I HN 0.245 nan 8.210 nan 0.000 0.577 284 P HA 0.027 nan 4.420 nan 0.000 0.267 284 P C 0.046 177.334 177.300 -0.020 0.000 1.200 284 P CA -0.145 62.939 63.100 -0.025 0.000 0.772 284 P CB 0.411 32.102 31.700 -0.015 0.000 0.855 285 G N 1.588 110.372 108.800 -0.026 0.000 2.539 285 G HA2 0.050 4.010 3.960 0.000 0.000 0.258 285 G HA3 0.050 4.010 3.960 0.000 0.000 0.258 285 G C 0.896 175.790 174.900 -0.009 0.000 1.202 285 G CA -0.493 44.602 45.100 -0.009 0.000 0.851 285 G HN 0.481 nan 8.290 nan 0.000 0.556 286 R N 0.442 120.916 120.500 -0.044 0.000 2.096 286 R HA -0.066 4.274 4.340 0.000 0.000 0.235 286 R C 1.621 177.725 176.300 -0.327 0.000 1.127 286 R CA 1.619 57.578 56.100 -0.235 0.000 0.968 286 R CB -0.157 29.889 30.300 -0.423 0.000 0.861 286 R HN 0.615 nan 8.270 nan 0.000 0.440 287 F N -1.314 118.708 119.950 0.120 0.000 2.383 287 F HA 0.023 4.550 4.527 -0.000 0.000 0.287 287 F C 2.612 178.488 175.800 0.127 0.000 1.069 287 F CA 1.080 59.179 58.000 0.165 0.000 1.402 287 F CB -0.389 38.790 39.000 0.298 0.000 1.116 287 F HN 0.060 nan 8.300 nan 0.000 0.549 288 T N -2.345 112.355 114.554 0.243 0.000 2.985 288 T HA -0.037 4.313 4.350 0.000 0.000 0.266 288 T C 0.873 175.627 174.700 0.091 0.000 1.076 288 T CA 0.267 62.453 62.100 0.143 0.000 1.135 288 T CB -0.516 68.379 68.868 0.045 0.000 0.890 288 T HN 0.175 nan 8.240 nan 0.000 0.480 289 K N 1.566 122.000 120.400 0.056 0.000 3.156 289 K HA -0.192 4.128 4.320 0.000 0.000 0.266 289 K C -0.247 176.358 176.600 0.007 0.000 0.966 289 K CA 0.808 57.111 56.287 0.027 0.000 0.719 289 K CB -1.472 31.053 32.500 0.042 0.000 1.333 289 K HN 0.802 nan 8.250 nan 0.000 0.468 290 E N 0.276 120.466 120.200 -0.017 0.000 2.302 290 E HA 0.440 4.791 4.350 0.000 0.000 0.263 290 E C -0.700 175.864 176.600 -0.060 0.000 0.897 290 E CA -0.416 55.959 56.400 -0.042 0.000 0.809 290 E CB 1.274 30.937 29.700 -0.061 0.000 1.270 290 E HN 0.317 nan 8.360 nan 0.000 0.410 291 A N 2.862 125.653 122.820 -0.049 0.000 2.566 291 A HA 0.414 4.734 4.320 0.000 0.000 0.245 291 A C 1.303 178.838 177.584 -0.082 0.000 1.056 291 A CA 1.169 53.175 52.037 -0.051 0.000 0.757 291 A CB -0.368 18.615 19.000 -0.028 0.000 0.979 291 A HN 1.271 nan 8.150 nan 0.000 0.508 292 G N 1.890 110.621 108.800 -0.115 0.000 2.213 292 G HA2 -0.147 3.813 3.960 0.000 0.000 0.236 292 G HA3 -0.147 3.813 3.960 0.000 0.000 0.236 292 G C 0.335 175.106 174.900 -0.214 0.000 0.991 292 G CA 0.432 45.422 45.100 -0.183 0.000 0.629 292 G HN 1.354 nan 8.290 nan 0.000 0.517 293 T N 0.755 115.211 114.554 -0.164 0.000 2.893 293 T HA 0.745 5.095 4.350 0.000 0.000 0.291 293 T C -0.523 174.105 174.700 -0.119 0.000 1.028 293 T CA -0.393 61.622 62.100 -0.141 0.000 0.995 293 T CB 2.235 71.000 68.868 -0.173 0.000 1.051 293 T HN 0.439 nan 8.240 nan 0.000 0.470 294 L N 1.633 122.804 121.223 -0.088 0.000 2.455 294 L HA 0.732 5.072 4.340 0.000 0.000 0.264 294 L C 0.099 176.913 176.870 -0.093 0.000 0.968 294 L CA -1.267 53.496 54.840 -0.129 0.000 0.827 294 L CB 1.909 43.846 42.059 -0.203 0.000 1.317 294 L HN 0.774 nan 8.230 nan 0.000 0.407 295 A N 1.040 123.719 122.820 -0.235 0.000 2.313 295 A HA 0.167 4.488 4.320 0.000 0.000 0.261 295 A C 0.407 177.830 177.584 -0.268 0.000 1.090 295 A CA 0.112 51.973 52.037 -0.293 0.000 0.807 295 A CB 0.121 18.643 19.000 -0.796 0.000 1.055 295 A HN 0.763 nan 8.150 nan 0.000 0.492 296 Y N 0.998 121.176 120.300 -0.203 0.000 2.207 296 Y HA -0.308 4.242 4.550 0.000 0.000 0.287 296 Y C 2.009 177.817 175.900 -0.152 0.000 1.156 296 Y CA 2.730 60.765 58.100 -0.108 0.000 1.182 296 Y CB -0.652 37.825 38.460 0.030 0.000 0.979 296 Y HN 0.810 nan 8.280 nan 0.000 0.521 297 Y N -1.403 118.739 120.300 -0.263 0.000 2.352 297 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 297 Y C 1.862 177.509 175.900 -0.421 0.000 1.136 297 Y CA 1.123 58.906 58.100 -0.528 0.000 1.227 297 Y CB -1.136 36.699 38.460 -1.043 0.000 0.991 297 Y HN 0.118 nan 8.280 nan 0.000 0.545 298 E N 0.867 120.762 120.200 -0.509 0.000 2.152 298 E HA -0.055 4.295 4.350 0.000 0.000 0.192 298 E C 2.027 178.551 176.600 -0.126 0.000 0.983 298 E CA 1.138 57.434 56.400 -0.174 0.000 0.818 298 E CB -0.154 29.432 29.700 -0.190 0.000 0.758 298 E HN 0.557 nan 8.360 nan 0.000 0.467 299 I N 0.647 121.055 120.570 -0.270 0.000 2.315 299 I HA -0.299 3.871 4.170 0.000 0.000 0.248 299 I C 2.282 178.268 176.117 -0.219 0.000 1.117 299 I CA 0.547 61.674 61.300 -0.287 0.000 1.404 299 I CB -0.224 37.487 38.000 -0.481 0.000 1.071 299 I HN 0.241 nan 8.210 nan 0.000 0.419 300 c N 0.570 118.969 118.600 -0.335 0.000 2.413 300 c HA -0.232 4.338 4.570 0.000 0.000 0.276 300 c C 2.562 176.639 174.090 -0.021 0.000 1.248 300 c CA 1.547 57.748 56.329 -0.212 0.000 1.742 300 c CB -1.072 41.313 42.510 -0.209 0.000 2.017 300 c HN 0.579 nan 8.230 nan 0.000 0.481 301 D N -0.517 119.927 120.400 0.073 0.000 2.117 301 D HA -0.174 4.466 4.640 0.000 0.000 0.198 301 D C 1.882 178.240 176.300 0.097 0.000 0.982 301 D CA 1.024 55.100 54.000 0.127 0.000 0.828 301 D CB -0.291 40.643 40.800 0.224 0.000 0.967 301 D HN 0.458 nan 8.370 nan 0.000 0.464 302 F N 0.868 120.787 119.950 -0.052 0.000 2.161 302 F HA -0.078 4.449 4.527 0.000 0.000 0.300 302 F C 1.766 177.527 175.800 -0.065 0.000 1.089 302 F CA 1.152 59.116 58.000 -0.059 0.000 1.282 302 F CB -0.166 38.774 39.000 -0.100 0.000 1.010 302 F HN 0.007 nan 8.300 nan 0.000 0.485 303 L N 0.308 121.534 121.223 0.006 0.000 2.349 303 L HA -0.142 4.198 4.340 0.000 0.000 0.220 303 L C 0.837 177.633 176.870 -0.123 0.000 1.130 303 L CA 0.655 55.452 54.840 -0.071 0.000 0.791 303 L CB -0.692 41.353 42.059 -0.023 0.000 0.918 303 L HN -0.044 nan 8.230 nan 0.000 0.444 304 R N 0.600 121.032 120.500 -0.114 0.000 2.343 304 R HA 0.215 4.555 4.340 0.000 0.000 0.326 304 R C 1.048 177.261 176.300 -0.145 0.000 1.055 304 R CA 0.664 56.706 56.100 -0.096 0.000 0.961 304 R CB 0.242 30.507 30.300 -0.058 0.000 0.978 304 R HN 0.305 nan 8.270 nan 0.000 0.443 305 G N 1.456 110.182 108.800 -0.124 0.000 2.194 305 G HA2 -0.292 3.668 3.960 0.000 0.000 0.236 305 G HA3 -0.292 3.668 3.960 0.000 0.000 0.236 305 G C 0.223 175.024 174.900 -0.165 0.000 0.987 305 G CA -0.017 45.005 45.100 -0.129 0.000 0.635 305 G HN 0.797 nan 8.290 nan 0.000 0.520 306 A N -0.447 122.244 122.820 -0.216 0.000 2.242 306 A HA 0.859 5.179 4.320 0.000 0.000 0.304 306 A C 0.333 177.864 177.584 -0.090 0.000 1.100 306 A CA 0.698 52.611 52.037 -0.205 0.000 0.860 306 A CB 0.887 19.687 19.000 -0.333 0.000 1.168 306 A HN 0.723 nan 8.150 nan 0.000 0.503 307 T N 0.556 115.090 114.554 -0.034 0.000 2.807 307 T HA 0.512 4.862 4.350 0.000 0.000 0.279 307 T C -0.570 174.051 174.700 -0.132 0.000 0.993 307 T CA -0.265 61.783 62.100 -0.086 0.000 0.970 307 T CB 1.177 70.023 68.868 -0.036 0.000 0.950 307 T HN 0.422 nan 8.240 nan 0.000 0.441 308 V N 4.738 124.509 119.914 -0.239 0.000 2.472 308 V HA 0.432 4.552 4.120 0.000 0.000 0.290 308 V C -0.252 175.515 176.094 -0.545 0.000 1.037 308 V CA -0.718 61.447 62.300 -0.223 0.000 0.908 308 V CB 1.118 32.906 31.823 -0.058 0.000 0.985 308 V HN 0.837 nan 8.190 nan 0.000 0.454 309 H N 4.291 123.074 119.070 -0.478 0.000 2.679 309 H HA 0.498 5.054 4.556 0.000 0.000 0.360 309 H C -0.750 174.335 175.328 -0.405 0.000 1.105 309 H CA -0.940 54.809 56.048 -0.498 0.000 1.196 309 H CB 2.156 31.417 29.762 -0.835 0.000 1.636 309 H HN 0.488 nan 8.280 nan 0.000 0.531 310 R N 2.842 123.289 120.500 -0.088 0.000 2.297 310 R HA 0.335 4.675 4.340 0.000 0.000 0.308 310 R C 0.199 176.526 176.300 0.045 0.000 1.029 310 R CA -0.715 55.358 56.100 -0.044 0.000 0.929 310 R CB 1.074 31.355 30.300 -0.032 0.000 1.046 310 R HN 0.509 nan 8.270 nan 0.000 0.461 311 I N 4.614 125.238 120.570 0.091 0.000 2.436 311 I HA -0.070 4.100 4.170 0.000 0.000 0.289 311 I C 1.909 178.077 176.117 0.086 0.000 1.083 311 I CA -0.059 61.337 61.300 0.160 0.000 1.372 311 I CB 0.508 38.630 38.000 0.202 0.000 1.408 311 I HN 0.468 nan 8.210 nan 0.000 0.516 312 L N 5.514 126.788 121.223 0.086 0.000 1.990 312 L HA -0.175 4.166 4.340 0.000 0.000 0.213 312 L C 2.307 179.201 176.870 0.040 0.000 1.072 312 L CA 1.862 56.734 54.840 0.052 0.000 0.755 312 L CB -0.569 41.519 42.059 0.048 0.000 0.889 312 L HN 0.852 nan 8.230 nan 0.000 0.432 313 G N -1.717 107.110 108.800 0.045 0.000 2.985 313 G HA2 -0.052 3.908 3.960 0.000 0.000 0.209 313 G HA3 -0.052 3.908 3.960 0.000 0.000 0.209 313 G C 1.285 176.236 174.900 0.086 0.000 1.165 313 G CA -0.095 45.024 45.100 0.031 0.000 0.776 313 G HN 0.426 nan 8.290 nan 0.000 0.541 314 Q N -0.734 119.113 119.800 0.078 0.000 2.246 314 Q HA 0.104 4.444 4.340 0.000 0.000 0.222 314 Q C 0.484 176.493 176.000 0.015 0.000 0.851 314 Q CA -0.196 55.644 55.803 0.061 0.000 0.945 314 Q CB 0.563 29.287 28.738 -0.024 0.000 1.122 314 Q HN 0.245 nan 8.270 nan 0.000 0.508 315 Q N -0.467 119.355 119.800 0.036 0.000 2.494 315 Q HA -0.144 4.196 4.340 0.000 0.000 0.266 315 Q C -0.451 175.488 176.000 -0.101 0.000 1.053 315 Q CA 1.170 56.975 55.803 0.003 0.000 1.029 315 Q CB -2.399 26.381 28.738 0.069 0.000 1.423 315 Q HN 0.363 nan 8.270 nan 0.000 0.516 316 V N -4.010 115.804 119.914 -0.166 0.000 3.078 316 V HA 0.913 5.034 4.120 0.000 0.000 0.311 316 V C -2.658 173.331 176.094 -0.175 0.000 1.138 316 V CA -2.183 59.955 62.300 -0.270 0.000 1.007 316 V CB 2.803 34.218 31.823 -0.680 0.000 1.045 316 V HN -0.099 nan 8.190 nan 0.000 0.432 317 P HA 0.573 nan 4.420 nan 0.000 0.285 317 P C -1.985 175.244 177.300 -0.119 0.000 1.280 317 P CA -0.377 62.596 63.100 -0.212 0.000 0.862 317 P CB 1.783 33.252 31.700 -0.385 0.000 1.153 318 Y N -1.327 118.893 120.300 -0.133 0.000 2.576 318 Y HA 0.858 5.408 4.550 0.000 0.000 0.346 318 Y C -1.502 174.385 175.900 -0.021 0.000 1.018 318 Y CA -1.589 56.365 58.100 -0.244 0.000 1.050 318 Y CB 1.042 38.985 38.460 -0.862 0.000 1.280 318 Y HN 0.595 nan 8.280 nan 0.000 0.474 319 A N 1.288 124.242 122.820 0.224 0.000 2.413 319 A HA 0.823 5.143 4.320 0.000 0.000 0.307 319 A C -0.983 176.799 177.584 0.331 0.000 1.087 319 A CA -0.591 51.608 52.037 0.271 0.000 0.750 319 A CB 1.842 21.085 19.000 0.406 0.000 1.296 319 A HN 0.982 nan 8.150 nan 0.000 0.423 320 T N 0.234 115.004 114.554 0.361 0.000 2.923 320 T HA 0.654 5.004 4.350 0.000 0.000 0.311 320 T C -1.459 173.403 174.700 0.269 0.000 1.183 320 T CA -0.521 61.834 62.100 0.424 0.000 1.020 320 T CB 1.068 70.196 68.868 0.434 0.000 1.165 320 T HN 0.798 nan 8.240 nan 0.000 0.482 321 K N 2.609 123.171 120.400 0.270 0.000 2.571 321 K HA 0.532 4.852 4.320 0.000 0.000 0.252 321 K C 0.491 177.169 176.600 0.129 0.000 0.956 321 K CA 0.200 56.505 56.287 0.030 0.000 0.822 321 K CB 1.066 33.336 32.500 -0.383 0.000 1.286 321 K HN 1.100 nan 8.250 nan 0.000 0.439 322 G N 3.355 112.216 108.800 0.101 0.000 2.582 322 G HA2 -0.396 3.564 3.960 0.000 0.000 0.288 322 G HA3 -0.396 3.564 3.960 0.000 0.000 0.288 322 G C 0.147 175.147 174.900 0.166 0.000 1.247 322 G CA 0.615 45.783 45.100 0.113 0.000 0.972 322 G HN 0.887 nan 8.290 nan 0.000 0.557 323 N N 1.200 119.996 118.700 0.160 0.000 2.362 323 N HA 0.117 4.857 4.740 0.000 0.000 0.204 323 N C 0.294 175.943 175.510 0.232 0.000 1.166 323 N CA 0.706 53.859 53.050 0.172 0.000 0.831 323 N CB 0.343 38.903 38.487 0.123 0.000 1.008 323 N HN 0.602 nan 8.380 nan 0.000 0.472 324 Q N -0.006 119.982 119.800 0.314 0.000 2.306 324 Q HA 0.347 4.687 4.340 0.000 0.000 0.265 324 Q C -1.482 174.835 176.000 0.530 0.000 1.022 324 Q CA -0.355 55.677 55.803 0.381 0.000 0.853 324 Q CB 2.117 31.113 28.738 0.430 0.000 1.327 324 Q HN 0.458 nan 8.270 nan 0.000 0.449 325 W N 2.072 123.500 121.300 0.214 0.000 3.097 325 W HA 0.567 5.227 4.660 0.000 0.000 0.335 325 W C -1.723 174.868 176.519 0.119 0.000 1.114 325 W CA -0.725 56.777 57.345 0.262 0.000 1.231 325 W CB 1.280 30.905 29.460 0.274 0.000 1.388 325 W HN 0.372 nan 8.180 nan 0.000 0.485 326 V N 6.085 126.092 119.914 0.155 0.000 2.686 326 V HA 0.853 4.973 4.120 0.000 0.000 0.306 326 V C -0.423 175.699 176.094 0.046 0.000 1.065 326 V CA -0.428 61.914 62.300 0.069 0.000 0.894 326 V CB 1.644 33.303 31.823 -0.273 0.000 1.004 326 V HN 0.731 nan 8.190 nan 0.000 0.424 327 G N 5.875 114.764 108.800 0.148 0.000 2.322 327 G HA2 0.643 4.603 3.960 0.000 0.000 0.309 327 G HA3 0.643 4.603 3.960 0.000 0.000 0.309 327 G C -1.163 173.696 174.900 -0.069 0.000 1.121 327 G CA -0.103 44.949 45.100 -0.080 0.000 0.886 327 G HN 1.242 nan 8.290 nan 0.000 0.447 328 Y N -0.667 119.609 120.300 -0.041 0.000 2.896 328 Y HA 0.703 5.254 4.550 0.000 0.000 0.317 328 Y C -1.092 174.954 175.900 0.244 0.000 1.444 328 Y CA -1.809 56.349 58.100 0.097 0.000 1.084 328 Y CB 0.990 39.509 38.460 0.097 0.000 1.382 328 Y HN 0.333 nan 8.280 nan 0.000 0.471 329 D N 1.006 121.490 120.400 0.141 0.000 2.481 329 D HA 0.310 4.950 4.640 0.000 0.000 0.244 329 D C -1.437 174.881 176.300 0.031 0.000 1.057 329 D CA -0.212 53.775 54.000 -0.022 0.000 0.848 329 D CB 2.386 43.165 40.800 -0.035 0.000 1.388 329 D HN 0.708 nan 8.370 nan 0.000 0.475 330 D N 0.150 120.530 120.400 -0.034 0.000 2.689 330 D HA 0.126 4.767 4.640 0.000 0.000 0.255 330 D C 0.782 177.063 176.300 -0.031 0.000 1.113 330 D CA -0.381 53.651 54.000 0.052 0.000 1.115 330 D CB 0.521 41.456 40.800 0.225 0.000 1.334 330 D HN 0.018 nan 8.370 nan 0.000 0.621 331 Q N -0.451 119.360 119.800 0.018 0.000 2.124 331 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 331 Q C 1.781 177.783 176.000 0.004 0.000 0.977 331 Q CA 1.860 57.667 55.803 0.006 0.000 0.850 331 Q CB -0.125 28.640 28.738 0.045 0.000 0.901 331 Q HN 0.704 nan 8.270 nan 0.000 0.429 332 E N -0.099 120.107 120.200 0.011 0.000 2.047 332 E HA -0.195 4.156 4.350 0.000 0.000 0.191 332 E C 1.866 178.455 176.600 -0.018 0.000 0.987 332 E CA 1.464 57.864 56.400 0.001 0.000 0.799 332 E CB 0.011 29.712 29.700 0.002 0.000 0.752 332 E HN 0.424 nan 8.360 nan 0.000 0.449 333 S N 0.374 116.048 115.700 -0.042 0.000 2.387 333 S HA -0.135 4.335 4.470 0.000 0.000 0.226 333 S C 2.271 176.840 174.600 -0.052 0.000 1.026 333 S CA 1.180 59.342 58.200 -0.063 0.000 0.972 333 S CB -0.706 62.428 63.200 -0.111 0.000 0.814 333 S HN 0.318 nan 8.310 nan 0.000 0.477 334 V N 0.830 120.716 119.914 -0.047 0.000 2.515 334 V HA -0.043 4.077 4.120 0.000 0.000 0.250 334 V C 2.469 178.552 176.094 -0.018 0.000 1.058 334 V CA 2.015 64.295 62.300 -0.034 0.000 1.064 334 V CB -1.120 30.681 31.823 -0.036 0.000 0.675 334 V HN 0.555 nan 8.190 nan 0.000 0.461 335 K N 0.647 121.039 120.400 -0.013 0.000 2.097 335 K HA -0.128 4.192 4.320 0.000 0.000 0.205 335 K C 2.265 178.869 176.600 0.006 0.000 1.050 335 K CA 1.713 57.997 56.287 -0.004 0.000 0.938 335 K CB -0.238 32.264 32.500 0.003 0.000 0.718 335 K HN 0.551 nan 8.250 nan 0.000 0.442 336 S N 0.982 116.687 115.700 0.008 0.000 2.368 336 S HA -0.069 4.401 4.470 0.000 0.000 0.224 336 S C 1.638 176.265 174.600 0.045 0.000 1.029 336 S CA 1.208 59.428 58.200 0.033 0.000 0.988 336 S CB -0.069 63.148 63.200 0.028 0.000 0.838 336 S HN 0.346 nan 8.310 nan 0.000 0.462 337 K N 0.660 121.061 120.400 0.001 0.000 2.097 337 K HA -0.023 4.297 4.320 0.000 0.000 0.206 337 K C 1.970 178.611 176.600 0.067 0.000 1.049 337 K CA 1.023 57.315 56.287 0.007 0.000 0.933 337 K CB -0.286 32.196 32.500 -0.030 0.000 0.717 337 K HN 0.156 nan 8.250 nan 0.000 0.442 338 V N 1.218 121.143 119.914 0.019 0.000 2.427 338 V HA -0.240 3.880 4.120 0.000 0.000 0.248 338 V C 2.402 178.482 176.094 -0.023 0.000 1.051 338 V CA 1.722 64.007 62.300 -0.025 0.000 1.048 338 V CB -0.368 31.416 31.823 -0.066 0.000 0.666 338 V HN 0.313 nan 8.190 nan 0.000 0.456 339 Q N -0.291 119.521 119.800 0.020 0.000 2.096 339 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 339 Q C 2.040 178.079 176.000 0.066 0.000 0.982 339 Q CA 2.274 58.096 55.803 0.032 0.000 0.850 339 Q CB -0.664 28.110 28.738 0.060 0.000 0.901 339 Q HN 0.737 nan 8.270 nan 0.000 0.422 340 Y N 0.519 120.818 120.300 -0.003 0.000 2.145 340 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 340 Y C 1.774 177.674 175.900 0.001 0.000 1.145 340 Y CA 1.948 60.056 58.100 0.015 0.000 1.148 340 Y CB -0.352 38.092 38.460 -0.026 0.000 0.981 340 Y HN 0.319 nan 8.280 nan 0.000 0.507 341 L N -0.400 120.852 121.223 0.049 0.000 2.141 341 L HA -0.001 4.339 4.340 0.000 0.000 0.209 341 L C 1.908 178.729 176.870 -0.082 0.000 1.094 341 L CA 1.649 56.467 54.840 -0.037 0.000 0.763 341 L CB -0.858 41.228 42.059 0.045 0.000 0.908 341 L HN -0.056 nan 8.230 nan 0.000 0.437 342 K N 0.127 120.468 120.400 -0.098 0.000 2.062 342 K HA -0.103 4.217 4.320 0.000 0.000 0.205 342 K C 1.780 178.378 176.600 -0.003 0.000 1.051 342 K CA 1.364 57.624 56.287 -0.044 0.000 0.941 342 K CB -0.254 32.186 32.500 -0.099 0.000 0.719 342 K HN 0.326 nan 8.250 nan 0.000 0.440 343 D N 0.495 120.857 120.400 -0.064 0.000 2.149 343 D HA -0.130 4.510 4.640 0.000 0.000 0.198 343 D C 1.595 177.830 176.300 -0.108 0.000 0.990 343 D CA 1.023 54.980 54.000 -0.071 0.000 0.839 343 D CB 0.059 40.810 40.800 -0.083 0.000 0.948 343 D HN 0.050 nan 8.370 nan 0.000 0.460 344 R N 0.403 120.785 120.500 -0.196 0.000 2.310 344 R HA 0.093 4.433 4.340 0.000 0.000 0.202 344 R C 0.235 176.498 176.300 -0.062 0.000 0.933 344 R CA 0.018 56.013 56.100 -0.176 0.000 1.054 344 R CB 0.021 30.132 30.300 -0.314 0.000 0.985 344 R HN 0.334 nan 8.270 nan 0.000 0.489 345 Q N 0.634 120.434 119.800 0.000 0.000 2.475 345 Q HA -0.172 4.168 4.340 0.000 0.000 0.280 345 Q C -0.473 175.573 176.000 0.077 0.000 1.234 345 Q CA 0.437 56.278 55.803 0.063 0.000 0.873 345 Q CB -1.648 27.103 28.738 0.021 0.000 1.256 345 Q HN 0.346 nan 8.270 nan 0.000 0.475 346 L N -1.146 120.134 121.223 0.094 0.000 2.475 346 L HA 0.283 4.623 4.340 0.000 0.000 0.253 346 L C 1.701 178.669 176.870 0.163 0.000 1.198 346 L CA 0.505 55.401 54.840 0.095 0.000 0.814 346 L CB 0.125 42.228 42.059 0.074 0.000 1.134 346 L HN 0.294 nan 8.230 nan 0.000 0.478 347 A N 0.507 123.394 122.820 0.111 0.000 2.067 347 A HA 0.312 4.632 4.320 0.000 0.000 0.219 347 A C 0.952 178.637 177.584 0.169 0.000 1.158 347 A CA 1.376 53.470 52.037 0.096 0.000 0.661 347 A CB -0.382 18.634 19.000 0.026 0.000 0.801 347 A HN 1.010 nan 8.150 nan 0.000 0.452 348 G N -2.880 106.012 108.800 0.154 0.000 2.356 348 G HA2 0.558 4.518 3.960 0.000 0.000 0.266 348 G HA3 0.558 4.518 3.960 0.000 0.000 0.266 348 G C -0.828 174.095 174.900 0.038 0.000 1.312 348 G CA -0.148 45.020 45.100 0.113 0.000 0.922 348 G HN 1.258 nan 8.290 nan 0.000 0.480 349 A N -0.359 122.473 122.820 0.021 0.000 2.356 349 A HA 0.865 5.185 4.320 0.000 0.000 0.323 349 A C -0.166 177.464 177.584 0.077 0.000 1.119 349 A CA -0.431 51.639 52.037 0.054 0.000 0.790 349 A CB 1.806 20.831 19.000 0.041 0.000 1.273 349 A HN 1.454 nan 8.150 nan 0.000 0.452 350 M N 2.286 121.982 119.600 0.160 0.000 2.456 350 M HA 0.637 5.117 4.480 0.000 0.000 0.324 350 M C -2.048 174.437 176.300 0.308 0.000 1.124 350 M CA -0.561 54.887 55.300 0.247 0.000 0.959 350 M CB 1.647 34.466 32.600 0.364 0.000 1.692 350 M HN 0.394 nan 8.290 nan 0.000 0.444 351 V N 4.976 125.084 119.914 0.324 0.000 2.444 351 V HA 0.425 4.545 4.120 0.000 0.000 0.294 351 V C -1.286 175.038 176.094 0.384 0.000 1.022 351 V CA -0.620 61.855 62.300 0.291 0.000 0.850 351 V CB 1.989 33.907 31.823 0.158 0.000 0.992 351 V HN 0.859 nan 8.190 nan 0.000 0.426 352 W N 6.408 127.820 121.300 0.187 0.000 2.338 352 W HA 0.795 5.455 4.660 -0.000 0.000 0.315 352 W C -0.520 176.076 176.519 0.129 0.000 1.005 352 W CA -0.447 56.976 57.345 0.130 0.000 1.380 352 W CB 1.539 30.988 29.460 -0.019 0.000 1.235 352 W HN 0.693 nan 8.180 nan 0.000 0.409 353 A N 4.746 127.512 122.820 -0.089 0.000 2.594 353 A HA 0.455 4.775 4.320 0.000 0.000 0.291 353 A C 0.149 177.657 177.584 -0.127 0.000 1.105 353 A CA -0.639 51.158 52.037 -0.400 0.000 0.694 353 A CB 1.280 19.602 19.000 -1.131 0.000 1.291 353 A HN 0.548 nan 8.150 nan 0.000 0.410 354 L N -0.112 121.054 121.223 -0.096 0.000 2.079 354 L HA -0.176 4.164 4.340 0.000 0.000 0.210 354 L C 1.928 178.896 176.870 0.163 0.000 1.081 354 L CA 2.332 57.240 54.840 0.113 0.000 0.752 354 L CB -0.515 41.594 42.059 0.084 0.000 0.896 354 L HN 0.998 nan 8.230 nan 0.000 0.433 355 D N -0.598 119.747 120.400 -0.091 0.000 2.371 355 D HA -0.134 4.506 4.640 0.000 0.000 0.221 355 D C 1.791 178.168 176.300 0.128 0.000 0.986 355 D CA 0.711 54.605 54.000 -0.177 0.000 0.899 355 D CB -0.127 40.420 40.800 -0.421 0.000 0.902 355 D HN 0.330 nan 8.370 nan 0.000 0.530 356 L N -0.671 120.625 121.223 0.122 0.000 2.590 356 L HA 0.207 4.547 4.340 0.000 0.000 0.227 356 L C 0.924 177.960 176.870 0.276 0.000 1.099 356 L CA -0.273 54.670 54.840 0.171 0.000 0.872 356 L CB 0.011 42.133 42.059 0.104 0.000 1.088 356 L HN 0.033 nan 8.230 nan 0.000 0.479 357 D N 0.340 120.942 120.400 0.337 0.000 2.411 357 D HA -0.032 4.609 4.640 0.000 0.000 0.251 357 D C -0.255 176.270 176.300 0.375 0.000 1.201 357 D CA -0.249 53.965 54.000 0.357 0.000 0.996 357 D CB 0.998 42.023 40.800 0.376 0.000 1.101 357 D HN -0.150 nan 8.370 nan 0.000 0.504 358 D N 0.783 121.350 120.400 0.278 0.000 2.545 358 D HA -0.014 4.626 4.640 0.000 0.000 0.227 358 D C 1.017 177.136 176.300 -0.301 0.000 1.150 358 D CA -0.324 53.685 54.000 0.015 0.000 1.046 358 D CB -1.008 39.849 40.800 0.096 0.000 1.098 358 D HN 0.355 nan 8.370 nan 0.000 0.502 359 F N 0.862 120.531 119.950 -0.468 0.000 2.293 359 F HA -0.052 4.475 4.527 0.000 0.000 0.300 359 F C 1.670 177.079 175.800 -0.651 0.000 1.086 359 F CA 0.507 57.890 58.000 -1.028 0.000 1.375 359 F CB -0.306 38.316 39.000 -0.630 0.000 1.045 359 F HN 0.120 nan 8.300 nan 0.000 0.516 360 Q N 1.211 120.393 119.800 -1.029 0.000 2.245 360 Q HA 0.105 4.445 4.340 0.000 0.000 0.201 360 Q C 2.083 177.903 176.000 -0.300 0.000 0.955 360 Q CA 1.146 56.593 55.803 -0.594 0.000 0.870 360 Q CB -0.512 27.861 28.738 -0.609 0.000 0.945 360 Q HN 0.744 nan 8.270 nan 0.000 0.461 361 G N 1.006 109.653 108.800 -0.256 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 0.958 175.817 174.900 -0.068 0.000 0.976 361 G CA 0.924 45.956 45.100 -0.113 0.000 0.655 361 G HN 0.486 nan 8.290 nan 0.000 0.533 362 S N -1.301 114.349 115.700 -0.084 0.000 2.502 362 S HA 0.420 4.890 4.470 0.000 0.000 0.215 362 S C 1.647 176.118 174.600 -0.214 0.000 1.009 362 S CA 0.844 58.937 58.200 -0.179 0.000 0.908 362 S CB -0.119 62.875 63.200 -0.343 0.000 0.801 362 S HN 0.245 nan 8.310 nan 0.000 0.505 363 F N 1.422 121.282 119.950 -0.150 0.000 2.569 363 F HA 0.326 4.853 4.527 0.000 0.000 0.295 363 F C 1.440 177.194 175.800 -0.078 0.000 1.115 363 F CA -0.526 57.415 58.000 -0.098 0.000 1.450 363 F CB -0.207 38.747 39.000 -0.076 0.000 1.107 363 F HN 0.255 nan 8.300 nan 0.000 0.563 364 c N 0.962 119.633 118.600 0.119 0.000 2.306 364 c HA 0.513 5.084 4.570 0.000 0.000 0.341 364 c C 1.814 175.931 174.090 0.046 0.000 1.381 364 c CA -0.591 55.774 56.329 0.060 0.000 1.784 364 c CB -1.363 41.194 42.510 0.078 0.000 2.555 364 c HN 0.724 nan 8.230 nan 0.000 0.565 365 G N 1.552 110.362 108.800 0.017 0.000 2.453 365 G HA2 -0.347 3.613 3.960 0.000 0.000 0.313 365 G HA3 -0.347 3.613 3.960 0.000 0.000 0.313 365 G C 0.729 175.636 174.900 0.012 0.000 0.948 365 G CA 1.341 46.443 45.100 0.002 0.000 0.846 365 G HN 0.742 nan 8.290 nan 0.000 0.512 366 Q N -0.885 118.928 119.800 0.023 0.000 2.140 366 Q HA 0.164 4.505 4.340 0.000 0.000 0.227 366 Q C 0.443 176.455 176.000 0.020 0.000 0.798 366 Q CA 0.106 55.925 55.803 0.028 0.000 0.987 366 Q CB 0.681 29.449 28.738 0.050 0.000 1.161 366 Q HN 0.390 nan 8.270 nan 0.000 0.480 367 D N 1.016 121.420 120.400 0.007 0.000 2.746 367 D HA -0.180 4.460 4.640 0.000 0.000 0.236 367 D C -0.891 175.418 176.300 0.014 0.000 1.129 367 D CA 1.209 55.208 54.000 -0.003 0.000 0.691 367 D CB -1.375 39.422 40.800 -0.006 0.000 1.077 367 D HN 0.403 nan 8.370 nan 0.000 0.432 368 L N -2.828 118.412 121.223 0.028 0.000 2.438 368 L HA 0.594 4.934 4.340 0.000 0.000 0.270 368 L C 0.077 176.975 176.870 0.046 0.000 0.972 368 L CA -1.044 53.825 54.840 0.050 0.000 0.831 368 L CB 1.786 43.888 42.059 0.072 0.000 1.273 368 L HN -0.236 nan 8.230 nan 0.000 0.405 369 R N 2.498 123.024 120.500 0.044 0.000 2.594 369 R HA 0.393 4.733 4.340 0.000 0.000 0.272 369 R C -0.762 175.611 176.300 0.122 0.000 1.074 369 R CA -0.441 55.635 56.100 -0.039 0.000 1.105 369 R CB 0.076 30.379 30.300 0.004 0.000 1.008 369 R HN 0.733 nan 8.270 nan 0.000 0.472 370 F N 0.535 120.566 119.950 0.135 0.000 2.773 370 F HA -0.166 4.361 4.527 -0.000 0.000 0.251 370 F C -1.295 174.570 175.800 0.109 0.000 1.020 370 F CA -0.043 58.038 58.000 0.134 0.000 0.924 370 F CB -1.147 37.922 39.000 0.115 0.000 0.919 370 F HN 0.576 nan 8.300 nan 0.000 0.846 371 P HA -0.177 nan 4.420 nan 0.000 0.216 371 P C 1.787 179.152 177.300 0.108 0.000 1.153 371 P CA 1.561 64.765 63.100 0.174 0.000 0.848 371 P CB 0.303 32.135 31.700 0.220 0.000 0.787 372 L N -0.669 120.583 121.223 0.049 0.000 2.044 372 L HA -0.083 4.258 4.340 0.000 0.000 0.205 372 L C 2.651 179.542 176.870 0.036 0.000 1.075 372 L CA 1.977 56.786 54.840 -0.051 0.000 0.747 372 L CB -1.754 40.181 42.059 -0.207 0.000 0.903 372 L HN 0.001 nan 8.230 nan 0.000 0.435 373 T N -0.596 114.026 114.554 0.113 0.000 2.788 373 T HA -0.128 4.222 4.350 0.000 0.000 0.268 373 T C 1.749 176.498 174.700 0.081 0.000 1.044 373 T CA 1.108 63.266 62.100 0.097 0.000 1.139 373 T CB -0.242 68.691 68.868 0.107 0.000 0.867 373 T HN 0.272 nan 8.240 nan 0.000 0.454 374 N N 1.141 119.913 118.700 0.120 0.000 2.244 374 N HA 0.014 4.754 4.740 0.000 0.000 0.183 374 N C 2.157 177.704 175.510 0.062 0.000 1.016 374 N CA 1.121 54.227 53.050 0.094 0.000 0.866 374 N CB -0.274 38.289 38.487 0.126 0.000 0.980 374 N HN 0.418 nan 8.380 nan 0.000 0.430 375 A N 1.203 124.056 122.820 0.055 0.000 1.933 375 A HA -0.066 4.254 4.320 0.000 0.000 0.218 375 A C 2.291 179.885 177.584 0.018 0.000 1.175 375 A CA 0.830 52.886 52.037 0.032 0.000 0.628 375 A CB -0.513 18.498 19.000 0.020 0.000 0.814 375 A HN 0.186 nan 8.150 nan 0.000 0.444 376 I N -0.585 119.995 120.570 0.017 0.000 2.202 376 I HA -0.245 3.926 4.170 0.000 0.000 0.242 376 I C 2.538 178.656 176.117 0.001 0.000 1.091 376 I CA 1.769 63.072 61.300 0.004 0.000 1.368 376 I CB -0.215 37.793 38.000 0.014 0.000 1.058 376 I HN 0.378 nan 8.210 nan 0.000 0.410 377 K N 0.965 121.376 120.400 0.018 0.000 2.032 377 K HA -0.245 4.075 4.320 0.000 0.000 0.209 377 K C 1.660 178.272 176.600 0.020 0.000 1.048 377 K CA 2.100 58.400 56.287 0.023 0.000 0.927 377 K CB -0.086 32.434 32.500 0.034 0.000 0.712 377 K HN 0.208 nan 8.250 nan 0.000 0.441 378 D N 0.378 120.792 120.400 0.022 0.000 2.117 378 D HA -0.144 4.496 4.640 0.000 0.000 0.197 378 D C 1.786 178.090 176.300 0.008 0.000 0.987 378 D CA 1.466 55.478 54.000 0.020 0.000 0.829 378 D CB -0.265 40.550 40.800 0.025 0.000 0.961 378 D HN 0.390 nan 8.370 nan 0.000 0.460 379 A N 0.419 123.236 122.820 -0.006 0.000 1.969 379 A HA -0.074 4.246 4.320 0.000 0.000 0.218 379 A C 2.343 179.890 177.584 -0.061 0.000 1.169 379 A CA 0.709 52.731 52.037 -0.025 0.000 0.635 379 A CB -0.666 18.316 19.000 -0.030 0.000 0.810 379 A HN 0.203 nan 8.150 nan 0.000 0.445 380 L N -1.050 120.125 121.223 -0.079 0.000 2.141 380 L HA -0.153 4.188 4.340 0.000 0.000 0.209 380 L C 2.916 179.786 176.870 -0.001 0.000 1.094 380 L CA 0.982 55.730 54.840 -0.153 0.000 0.763 380 L CB -0.317 41.676 42.059 -0.110 0.000 0.908 380 L HN 0.446 nan 8.230 nan 0.000 0.437 381 A N -0.521 122.320 122.820 0.036 0.000 2.021 381 A HA 0.093 4.413 4.320 0.000 0.000 0.216 381 A C 2.496 180.112 177.584 0.054 0.000 1.163 381 A CA 0.979 53.057 52.037 0.068 0.000 0.676 381 A CB -0.374 18.656 19.000 0.050 0.000 0.818 381 A HN 0.331 nan 8.150 nan 0.000 0.453 382 A N -1.245 121.593 122.820 0.030 0.000 1.908 382 A HA 0.331 4.651 4.320 0.000 0.000 0.218 382 A C 1.414 179.021 177.584 0.038 0.000 1.181 382 A CA 2.658 54.711 52.037 0.027 0.000 0.627 382 A CB -0.907 18.102 19.000 0.014 0.000 0.818 382 A HN 1.455 nan 8.150 nan 0.000 0.445 383 T N 0.000 114.584 114.554 0.050 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