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 1hm8_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNFAIILAAG KGTRMKSDLP KVLHKVAGIS MLEHVFRSVG AIQPEKTVTV DATA SEQUENCE VGHKAELVEE VLAGQTEFVT QSEQLGTGHA VMMTEPILEG LSGHTLVIAG DATA SEQUENCE DTPLITGESL KNLIDFHINH KNVATILTAE TDNPFGYGRI VRNDNAEVLR DATA SEQUENCE IVEQKDATDF EKQIKEINTG TYVFDNERLF EALKNINTNN AQGEYYITDV DATA SEQUENCE IGIFRETGEK VGAYTLKDFD ESLGVNDRVA LATAESVMRR RINHKHMVNG DATA SEQUENCE VSFVNPEATY IDIDVEIAPE VQIEANVILK GQTKIGAETV LTNGTYVVDS DATA SEQUENCE TIGAGAVITN SMIEESSVAD GVTVGPYAHI RPNSSLGAQV HIGNFVEVKG DATA SEQUENCE SSIGENTKAG HLTYIGNCEV GSNVNFGAGT ITVNYDGKNK YKTVIGDNVF DATA SEQUENCE VGSNSTIIAP VELGDNSLVG AGSTITKDVP ADAIAIGRGR QINKDEYATR DATA SEQUENCE LPHHPKNQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.396 174.600 -0.340 0.000 1.055 2 S CA 0.000 58.074 58.200 -0.210 0.000 1.107 2 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 3 N N 0.526 118.817 118.700 -0.682 0.000 2.352 3 N HA 0.690 5.430 4.740 -0.000 0.000 0.291 3 N C -1.838 173.227 175.510 -0.741 0.000 1.040 3 N CA -0.084 52.685 53.050 -0.468 0.000 0.864 3 N CB 1.415 39.796 38.487 -0.177 0.000 1.440 3 N HN 0.223 nan 8.380 nan 0.000 0.483 4 F N 0.456 120.475 119.950 0.115 0.000 2.588 4 F HA 0.825 5.352 4.527 -0.000 0.000 0.314 4 F C 0.155 176.014 175.800 0.098 0.000 1.069 4 F CA -1.084 56.974 58.000 0.097 0.000 0.931 4 F CB 1.743 40.809 39.000 0.111 0.000 1.260 4 F HN 0.358 nan 8.300 nan 0.000 0.465 5 A N 2.250 125.231 122.820 0.269 0.000 2.393 5 A HA 0.889 5.209 4.320 -0.000 0.000 0.306 5 A C -1.323 176.361 177.584 0.167 0.000 1.050 5 A CA -0.565 51.584 52.037 0.186 0.000 0.724 5 A CB 1.063 20.144 19.000 0.135 0.000 1.248 5 A HN 0.720 nan 8.150 nan 0.000 0.424 6 I N 2.813 123.474 120.570 0.152 0.000 2.439 6 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 6 I C -0.983 175.199 176.117 0.108 0.000 1.021 6 I CA -0.196 61.177 61.300 0.122 0.000 1.091 6 I CB 1.661 39.728 38.000 0.112 0.000 1.242 6 I HN 0.509 nan 8.210 nan 0.000 0.439 7 I N 6.857 127.483 120.570 0.093 0.000 2.330 7 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 7 I C -0.692 175.460 176.117 0.059 0.000 1.001 7 I CA -0.831 60.513 61.300 0.073 0.000 1.193 7 I CB 1.251 39.292 38.000 0.069 0.000 1.345 7 I HN 0.252 nan 8.210 nan 0.000 0.461 8 L N 6.596 127.852 121.223 0.055 0.000 2.325 8 L HA 0.352 4.692 4.340 -0.000 0.000 0.284 8 L C 0.822 177.718 176.870 0.044 0.000 1.089 8 L CA 0.374 55.245 54.840 0.052 0.000 0.836 8 L CB 0.721 42.815 42.059 0.058 0.000 1.184 8 L HN 0.756 nan 8.230 nan 0.000 0.444 9 A N 2.906 125.762 122.820 0.059 0.000 2.594 9 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 9 A C 1.197 178.829 177.584 0.080 0.000 1.026 9 A CA 0.440 52.513 52.037 0.060 0.000 0.983 9 A CB 0.194 19.231 19.000 0.062 0.000 1.233 9 A HN 0.626 nan 8.150 nan 0.000 0.519 10 A N -0.321 122.550 122.820 0.085 0.000 2.252 10 A HA 0.521 4.841 4.320 -0.000 0.000 0.213 10 A C 1.455 179.121 177.584 0.136 0.000 1.188 10 A CA 0.628 52.731 52.037 0.110 0.000 0.863 10 A CB -0.566 18.490 19.000 0.093 0.000 0.893 10 A HN 1.154 nan 8.150 nan 0.000 0.495 11 G N 0.209 109.069 108.800 0.100 0.000 2.669 11 G HA2 0.095 4.055 3.960 -0.000 0.000 0.227 11 G HA3 0.095 4.055 3.960 -0.000 0.000 0.227 11 G C 0.113 175.073 174.900 0.101 0.000 1.210 11 G CA 0.262 45.413 45.100 0.084 0.000 0.855 11 G HN 0.417 nan 8.290 nan 0.000 0.551 12 K N 1.179 121.602 120.400 0.037 0.000 2.290 12 K HA 0.427 4.747 4.320 -0.000 0.000 0.250 12 K C 0.976 177.573 176.600 -0.005 0.000 1.092 12 K CA 0.059 56.331 56.287 -0.024 0.000 1.006 12 K CB 0.097 32.559 32.500 -0.064 0.000 1.549 12 K HN 0.454 nan 8.250 nan 0.000 0.436 13 G N 2.541 111.363 108.800 0.036 0.000 3.180 13 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.252 13 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.252 13 G C 1.005 175.906 174.900 0.002 0.000 0.871 13 G CA 0.098 45.211 45.100 0.022 0.000 1.979 13 G HN 0.776 nan 8.290 nan 0.000 0.624 14 T N -1.090 113.453 114.554 -0.018 0.000 2.788 14 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 14 T C 2.174 176.862 174.700 -0.020 0.000 1.044 14 T CA 0.600 62.687 62.100 -0.022 0.000 1.139 14 T CB -0.136 68.714 68.868 -0.029 0.000 0.867 14 T HN 0.404 nan 8.240 nan 0.000 0.454 15 R N 0.081 120.565 120.500 -0.027 0.000 2.285 15 R HA 0.165 4.505 4.340 -0.000 0.000 0.213 15 R C 2.250 178.524 176.300 -0.043 0.000 1.068 15 R CA 0.706 56.787 56.100 -0.032 0.000 1.004 15 R CB -0.283 29.995 30.300 -0.036 0.000 0.873 15 R HN 0.369 nan 8.270 nan 0.000 0.467 16 M N 0.304 119.873 119.600 -0.053 0.000 2.254 16 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 16 M C 0.465 176.736 176.300 -0.048 0.000 1.066 16 M CA 1.095 56.339 55.300 -0.094 0.000 1.123 16 M CB -0.304 32.210 32.600 -0.144 0.000 1.388 16 M HN -0.154 nan 8.290 nan 0.000 0.425 17 K N 0.626 121.021 120.400 -0.009 0.000 3.162 17 K HA -0.107 4.213 4.320 -0.000 0.000 0.268 17 K C -0.257 176.369 176.600 0.043 0.000 1.062 17 K CA 0.587 56.881 56.287 0.012 0.000 0.769 17 K CB -1.547 30.955 32.500 0.003 0.000 1.274 17 K HN 0.349 nan 8.250 nan 0.000 0.478 18 S N -1.059 114.688 115.700 0.079 0.000 2.595 18 S HA 0.463 4.933 4.470 -0.000 0.000 0.281 18 S C 0.159 174.840 174.600 0.135 0.000 1.117 18 S CA -0.881 57.403 58.200 0.140 0.000 0.873 18 S CB 1.498 64.876 63.200 0.296 0.000 1.108 18 S HN 0.158 nan 8.310 nan 0.000 0.477 19 D N 1.134 121.600 120.400 0.109 0.000 2.305 19 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 19 D C 0.435 176.793 176.300 0.097 0.000 0.974 19 D CA 0.360 54.417 54.000 0.096 0.000 0.871 19 D CB -0.026 40.809 40.800 0.057 0.000 0.947 19 D HN 0.363 nan 8.370 nan 0.000 0.516 20 L N 2.082 123.348 121.223 0.072 0.000 2.410 20 L HA 0.232 4.572 4.340 -0.000 0.000 0.273 20 L C -2.332 174.581 176.870 0.072 0.000 1.144 20 L CA -1.395 53.438 54.840 -0.012 0.000 0.863 20 L CB 0.505 42.437 42.059 -0.212 0.000 1.140 20 L HN -0.273 nan 8.230 nan 0.000 0.463 21 P HA -0.061 nan 4.420 nan 0.000 0.261 21 P C 0.241 177.628 177.300 0.145 0.000 1.173 21 P CA 0.253 63.361 63.100 0.013 0.000 0.760 21 P CB 0.437 32.059 31.700 -0.130 0.000 0.783 22 K N 3.464 123.992 120.400 0.214 0.000 2.049 22 K HA -0.244 4.076 4.320 -0.000 0.000 0.219 22 K C 1.497 178.236 176.600 0.232 0.000 1.056 22 K CA 2.556 58.988 56.287 0.242 0.000 0.946 22 K CB -0.645 31.923 32.500 0.114 0.000 0.723 22 K HN 0.373 nan 8.250 nan 0.000 0.453 23 V N -0.633 119.350 119.914 0.114 0.000 3.026 23 V HA -0.121 3.999 4.120 -0.000 0.000 0.265 23 V C 1.732 177.859 176.094 0.055 0.000 1.121 23 V CA 1.374 63.713 62.300 0.065 0.000 1.142 23 V CB -0.577 31.252 31.823 0.008 0.000 0.730 23 V HN 0.255 nan 8.190 nan 0.000 0.503 24 L N -0.804 120.448 121.223 0.049 0.000 2.509 24 L HA 0.190 4.530 4.340 -0.000 0.000 0.222 24 L C 1.169 178.010 176.870 -0.049 0.000 1.123 24 L CA 0.042 54.871 54.840 -0.019 0.000 0.856 24 L CB -0.609 41.407 42.059 -0.072 0.000 0.985 24 L HN 0.417 nan 8.230 nan 0.000 0.456 25 H N 2.491 121.572 119.070 0.018 0.000 2.964 25 H HA 0.089 4.645 4.556 -0.000 0.000 0.328 25 H C 0.115 175.465 175.328 0.037 0.000 1.030 25 H CA 0.345 56.407 56.048 0.025 0.000 1.445 25 H CB 0.711 30.486 29.762 0.022 0.000 1.449 25 H HN 0.045 nan 8.280 nan 0.000 0.581 26 K N 2.300 122.769 120.400 0.114 0.000 2.202 26 K HA 0.275 4.595 4.320 -0.000 0.000 0.264 26 K C -0.310 176.371 176.600 0.135 0.000 1.010 26 K CA -0.567 55.785 56.287 0.108 0.000 0.940 26 K CB 1.434 33.978 32.500 0.073 0.000 0.983 26 K HN 0.231 nan 8.250 nan 0.000 0.475 27 V N 1.264 121.282 119.914 0.173 0.000 2.501 27 V HA 0.227 4.347 4.120 -0.000 0.000 0.277 27 V C -0.281 175.957 176.094 0.240 0.000 1.004 27 V CA -0.319 62.080 62.300 0.165 0.000 0.862 27 V CB 0.922 32.806 31.823 0.101 0.000 1.035 27 V HN 0.929 nan 8.190 nan 0.000 0.448 28 A N 3.633 126.548 122.820 0.158 0.000 2.914 28 A HA 0.158 4.478 4.320 -0.000 0.000 0.280 28 A C 1.705 179.375 177.584 0.144 0.000 1.447 28 A CA 1.523 53.653 52.037 0.156 0.000 0.759 28 A CB -1.436 17.662 19.000 0.164 0.000 1.034 28 A HN 2.543 nan 8.150 nan 0.000 0.529 29 G N -1.993 106.871 108.800 0.107 0.000 2.349 29 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.213 29 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.213 29 G C 0.411 175.332 174.900 0.036 0.000 1.044 29 G CA 0.377 45.518 45.100 0.067 0.000 0.633 29 G HN 2.410 nan 8.290 nan 0.000 0.506 30 I N -0.138 120.440 120.570 0.014 0.000 3.002 30 I HA 0.830 5.000 4.170 -0.000 0.000 0.310 30 I C 0.517 176.623 176.117 -0.017 0.000 1.087 30 I CA -0.477 60.788 61.300 -0.060 0.000 1.017 30 I CB 2.111 39.989 38.000 -0.202 0.000 1.226 30 I HN 0.420 nan 8.210 nan 0.000 0.443 31 S N 3.731 119.424 115.700 -0.012 0.000 2.584 31 S HA 0.229 4.699 4.470 -0.000 0.000 0.270 31 S C 0.955 175.606 174.600 0.086 0.000 1.346 31 S CA -0.562 57.660 58.200 0.038 0.000 1.018 31 S CB 0.954 64.161 63.200 0.011 0.000 0.899 31 S HN 0.824 nan 8.310 nan 0.000 0.542 32 M N 0.525 120.198 119.600 0.122 0.000 2.108 32 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 32 M C 2.077 178.384 176.300 0.011 0.000 1.066 32 M CA 1.320 56.699 55.300 0.132 0.000 1.107 32 M CB -0.824 31.814 32.600 0.063 0.000 1.356 32 M HN 0.746 nan 8.290 nan 0.000 0.406 33 L N 1.094 122.260 121.223 -0.096 0.000 2.013 33 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 33 L C 2.051 178.623 176.870 -0.496 0.000 1.073 33 L CA 2.017 56.658 54.840 -0.332 0.000 0.753 33 L CB -0.694 41.166 42.059 -0.332 0.000 0.890 33 L HN 0.294 nan 8.230 nan 0.000 0.432 34 E N -1.550 118.515 120.200 -0.224 0.000 2.110 34 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 34 E C 2.082 178.658 176.600 -0.040 0.000 0.988 34 E CA 1.190 57.561 56.400 -0.049 0.000 0.804 34 E CB -0.316 29.383 29.700 -0.002 0.000 0.745 34 E HN 0.651 nan 8.360 nan 0.000 0.458 35 H N 0.177 119.234 119.070 -0.020 0.000 2.353 35 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 35 H C 2.358 177.681 175.328 -0.008 0.000 1.090 35 H CA 1.177 57.226 56.048 0.001 0.000 1.327 35 H CB -0.110 29.645 29.762 -0.012 0.000 1.383 35 H HN 0.044 nan 8.280 nan 0.000 0.508 36 V N 1.046 120.984 119.914 0.041 0.000 2.490 36 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 36 V C 2.213 178.347 176.094 0.067 0.000 1.061 36 V CA 1.350 63.645 62.300 -0.009 0.000 1.064 36 V CB -0.730 31.027 31.823 -0.110 0.000 0.670 36 V HN 0.184 nan 8.190 nan 0.000 0.461 37 F N 0.532 120.503 119.950 0.034 0.000 2.234 37 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 37 F C 2.469 178.277 175.800 0.013 0.000 1.087 37 F CA 1.010 59.017 58.000 0.012 0.000 1.340 37 F CB -0.675 38.324 39.000 -0.002 0.000 1.031 37 F HN 0.075 nan 8.300 nan 0.000 0.500 38 R N -0.176 120.455 120.500 0.217 0.000 2.090 38 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 38 R C 2.450 178.809 176.300 0.099 0.000 1.110 38 R CA 1.500 57.679 56.100 0.131 0.000 0.973 38 R CB -0.483 29.881 30.300 0.107 0.000 0.869 38 R HN 0.329 nan 8.270 nan 0.000 0.440 39 S N 0.163 115.921 115.700 0.097 0.000 2.387 39 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 39 S C 2.130 176.768 174.600 0.063 0.000 1.026 39 S CA 0.837 59.076 58.200 0.065 0.000 0.972 39 S CB -0.441 62.789 63.200 0.050 0.000 0.814 39 S HN 0.020 nan 8.310 nan 0.000 0.477 40 V N 2.615 122.582 119.914 0.089 0.000 2.343 40 V HA -0.080 4.040 4.120 -0.000 0.000 0.247 40 V C 2.874 179.007 176.094 0.065 0.000 1.051 40 V CA 1.893 64.245 62.300 0.087 0.000 1.036 40 V CB -1.628 30.278 31.823 0.138 0.000 0.654 40 V HN 0.669 nan 8.190 nan 0.000 0.451 41 G N -0.447 108.393 108.800 0.066 0.000 2.462 41 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 41 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 41 G C 1.668 176.580 174.900 0.020 0.000 1.121 41 G CA 0.904 46.024 45.100 0.034 0.000 0.758 41 G HN 0.631 nan 8.290 nan 0.000 0.559 42 A N 0.996 123.832 122.820 0.025 0.000 2.125 42 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 42 A C 2.211 179.795 177.584 0.000 0.000 1.156 42 A CA 1.284 53.328 52.037 0.012 0.000 0.671 42 A CB -0.387 18.622 19.000 0.015 0.000 0.794 42 A HN 0.872 nan 8.150 nan 0.000 0.459 43 I N -4.619 115.952 120.570 0.001 0.000 3.928 43 I HA 0.175 4.345 4.170 -0.000 0.000 0.335 43 I C 0.049 176.152 176.117 -0.023 0.000 1.325 43 I CA 0.019 61.310 61.300 -0.014 0.000 1.107 43 I CB -0.338 37.656 38.000 -0.010 0.000 1.014 43 I HN 0.296 nan 8.210 nan 0.000 0.400 44 Q N 1.295 121.086 119.800 -0.016 0.000 2.452 44 Q HA -0.122 4.218 4.340 -0.000 0.000 0.318 44 Q C -1.958 174.018 176.000 -0.039 0.000 1.386 44 Q CA -0.036 55.752 55.803 -0.024 0.000 0.872 44 Q CB -1.607 27.113 28.738 -0.029 0.000 1.151 44 Q HN 0.508 nan 8.270 nan 0.000 0.417 45 P HA -0.071 nan 4.420 nan 0.000 0.267 45 P C 0.610 177.896 177.300 -0.023 0.000 1.209 45 P CA 0.317 63.396 63.100 -0.035 0.000 0.763 45 P CB 0.804 32.523 31.700 0.031 0.000 0.816 46 E N 2.514 122.663 120.200 -0.084 0.000 2.118 46 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 46 E C 0.311 176.997 176.600 0.144 0.000 0.992 46 E CA 1.557 57.967 56.400 0.017 0.000 0.804 46 E CB 0.009 29.718 29.700 0.016 0.000 0.741 46 E HN 0.592 nan 8.360 nan 0.000 0.458 47 K N -0.369 120.185 120.400 0.258 0.000 2.469 47 K HA 0.426 4.746 4.320 -0.000 0.000 0.254 47 K C -0.999 175.702 176.600 0.168 0.000 0.939 47 K CA -0.341 56.078 56.287 0.220 0.000 0.812 47 K CB 2.453 35.114 32.500 0.269 0.000 1.301 47 K HN -0.234 nan 8.250 nan 0.000 0.433 48 T N 1.306 115.902 114.554 0.070 0.000 2.881 48 T HA 0.358 4.708 4.350 -0.000 0.000 0.291 48 T C -1.090 173.602 174.700 -0.015 0.000 0.990 48 T CA -0.641 61.483 62.100 0.039 0.000 0.976 48 T CB 1.214 70.069 68.868 -0.021 0.000 0.970 48 T HN 0.199 nan 8.240 nan 0.000 0.438 49 V N 3.462 123.388 119.914 0.020 0.000 2.444 49 V HA 0.521 4.641 4.120 -0.000 0.000 0.294 49 V C 0.133 176.217 176.094 -0.016 0.000 1.022 49 V CA -0.826 61.459 62.300 -0.023 0.000 0.850 49 V CB 1.754 33.592 31.823 0.025 0.000 0.992 49 V HN 0.919 nan 8.190 nan 0.000 0.426 50 T N 4.203 118.686 114.554 -0.118 0.000 2.767 50 T HA 0.518 4.867 4.350 -0.000 0.000 0.284 50 T C -0.137 174.618 174.700 0.092 0.000 0.973 50 T CA -0.370 61.714 62.100 -0.027 0.000 0.996 50 T CB 1.632 70.442 68.868 -0.097 0.000 0.927 50 T HN 0.366 nan 8.240 nan 0.000 0.456 51 V N 4.405 124.384 119.914 0.109 0.000 2.364 51 V HA 0.469 4.589 4.120 -0.000 0.000 0.272 51 V C 0.200 176.380 176.094 0.143 0.000 1.036 51 V CA -0.526 61.843 62.300 0.115 0.000 0.880 51 V CB 1.297 33.153 31.823 0.054 0.000 0.991 51 V HN 0.678 nan 8.190 nan 0.000 0.460 52 V N 4.774 124.790 119.914 0.169 0.000 2.919 52 V HA 0.950 5.069 4.120 -0.000 0.000 0.316 52 V C 0.616 176.761 176.094 0.086 0.000 1.077 52 V CA 0.508 62.886 62.300 0.130 0.000 0.977 52 V CB 2.085 33.986 31.823 0.130 0.000 1.039 52 V HN 0.826 nan 8.190 nan 0.000 0.441 53 G N 2.629 111.478 108.800 0.082 0.000 2.968 53 G HA2 0.263 4.223 3.960 -0.000 0.000 0.206 53 G HA3 0.263 4.223 3.960 -0.000 0.000 0.206 53 G C 0.251 175.215 174.900 0.106 0.000 2.051 53 G CA 0.280 45.452 45.100 0.119 0.000 0.773 53 G HN 1.016 nan 8.290 nan 0.000 0.741 54 H N 0.427 119.511 119.070 0.023 0.000 2.679 54 H HA 0.259 4.815 4.556 -0.000 0.000 0.369 54 H C 0.105 175.437 175.328 0.007 0.000 1.178 54 H CA 0.674 56.731 56.048 0.014 0.000 1.419 54 H CB 0.665 30.437 29.762 0.016 0.000 1.458 54 H HN 0.518 nan 8.280 nan 0.000 0.605 55 K N -0.037 120.294 120.400 -0.115 0.000 3.104 55 K HA -0.279 4.041 4.320 -0.000 0.000 0.285 55 K C 1.417 177.915 176.600 -0.170 0.000 1.136 55 K CA 0.702 56.887 56.287 -0.170 0.000 0.842 55 K CB -1.609 30.726 32.500 -0.276 0.000 1.217 55 K HN 0.769 nan 8.250 nan 0.000 0.467 56 A N 1.914 124.658 122.820 -0.127 0.000 1.954 56 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 56 A C 2.197 179.683 177.584 -0.164 0.000 1.199 56 A CA 2.306 54.273 52.037 -0.117 0.000 0.657 56 A CB -0.383 18.579 19.000 -0.063 0.000 0.823 56 A HN 0.654 nan 8.150 nan 0.000 0.463 57 E N -0.050 120.071 120.200 -0.132 0.000 2.058 57 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 57 E C 1.957 178.468 176.600 -0.149 0.000 0.997 57 E CA 1.541 57.858 56.400 -0.139 0.000 0.801 57 E CB -1.036 28.610 29.700 -0.090 0.000 0.746 57 E HN 0.500 nan 8.360 nan 0.000 0.450 58 L N 1.789 122.938 121.223 -0.123 0.000 1.990 58 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 58 L C 2.584 179.389 176.870 -0.108 0.000 1.072 58 L CA 1.604 56.380 54.840 -0.106 0.000 0.755 58 L CB -0.783 41.216 42.059 -0.100 0.000 0.889 58 L HN 0.027 nan 8.230 nan 0.000 0.432 59 V N -0.467 119.373 119.914 -0.124 0.000 2.332 59 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 59 V C 2.567 178.593 176.094 -0.113 0.000 1.055 59 V CA 2.077 64.332 62.300 -0.075 0.000 1.038 59 V CB -0.775 31.027 31.823 -0.034 0.000 0.651 59 V HN 0.585 nan 8.190 nan 0.000 0.450 60 E N 0.167 120.162 120.200 -0.341 0.000 2.028 60 E HA -0.232 4.118 4.350 -0.000 0.000 0.190 60 E C 2.344 178.815 176.600 -0.214 0.000 0.984 60 E CA 0.960 57.026 56.400 -0.556 0.000 0.800 60 E CB -0.221 28.977 29.700 -0.837 0.000 0.758 60 E HN 0.622 nan 8.360 nan 0.000 0.448 61 E N 0.243 120.344 120.200 -0.165 0.000 2.393 61 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 61 E C 1.443 178.018 176.600 -0.043 0.000 1.025 61 E CA 0.882 57.230 56.400 -0.088 0.000 0.856 61 E CB 0.290 29.944 29.700 -0.077 0.000 0.771 61 E HN 0.162 nan 8.360 nan 0.000 0.526 62 V N 0.785 120.683 119.914 -0.027 0.000 2.906 62 V HA -0.038 4.082 4.120 -0.000 0.000 0.221 62 V C 1.379 177.506 176.094 0.055 0.000 1.147 62 V CA 0.700 63.007 62.300 0.011 0.000 1.235 62 V CB -0.253 31.577 31.823 0.012 0.000 1.000 62 V HN 0.305 nan 8.190 nan 0.000 0.510 63 L N 0.505 121.798 121.223 0.115 0.000 2.422 63 L HA 0.671 5.011 4.340 -0.000 0.000 0.256 63 L C 0.762 177.780 176.870 0.247 0.000 1.202 63 L CA -0.272 54.679 54.840 0.185 0.000 1.119 63 L CB 0.041 42.271 42.059 0.286 0.000 1.383 63 L HN 0.160 nan 8.230 nan 0.000 0.411 64 A N 2.008 124.924 122.820 0.160 0.000 2.281 64 A HA 0.382 4.702 4.320 -0.000 0.000 0.231 64 A C 1.360 179.012 177.584 0.113 0.000 1.317 64 A CA 0.228 52.385 52.037 0.199 0.000 0.959 64 A CB -0.996 18.064 19.000 0.099 0.000 0.900 64 A HN 0.775 nan 8.150 nan 0.000 0.497 65 G N -0.258 108.565 108.800 0.039 0.000 2.825 65 G HA2 0.209 4.169 3.960 -0.000 0.000 0.241 65 G HA3 0.209 4.169 3.960 -0.000 0.000 0.241 65 G C 0.206 174.969 174.900 -0.228 0.000 1.239 65 G CA -0.455 44.562 45.100 -0.139 0.000 0.859 65 G HN 0.763 nan 8.290 nan 0.000 0.598 66 Q N -0.460 119.189 119.800 -0.250 0.000 2.364 66 Q HA 0.323 4.663 4.340 -0.000 0.000 0.263 66 Q C 0.089 175.893 176.000 -0.326 0.000 1.276 66 Q CA 0.446 56.117 55.803 -0.219 0.000 0.923 66 Q CB -0.297 28.342 28.738 -0.165 0.000 1.477 66 Q HN 0.417 nan 8.270 nan 0.000 0.484 67 T N 0.906 115.286 114.554 -0.289 0.000 3.343 67 T HA 0.067 4.417 4.350 -0.000 0.000 0.383 67 T C -1.154 173.346 174.700 -0.333 0.000 1.615 67 T CA -0.868 61.018 62.100 -0.356 0.000 1.153 67 T CB 1.102 69.623 68.868 -0.579 0.000 1.434 67 T HN 0.502 nan 8.240 nan 0.000 0.476 68 E N 2.206 122.273 120.200 -0.223 0.000 2.408 68 E HA 0.366 4.715 4.350 -0.000 0.000 0.259 68 E C -0.893 175.573 176.600 -0.224 0.000 1.110 68 E CA 0.081 56.412 56.400 -0.115 0.000 0.929 68 E CB 0.508 30.180 29.700 -0.046 0.000 0.971 68 E HN 0.489 nan 8.360 nan 0.000 0.438 69 F N 0.312 120.278 119.950 0.027 0.000 2.612 69 F HA 0.173 4.700 4.527 -0.000 0.000 0.332 69 F C -0.211 175.601 175.800 0.020 0.000 1.167 69 F CA -0.865 57.155 58.000 0.034 0.000 0.970 69 F CB 1.517 40.536 39.000 0.031 0.000 1.234 69 F HN 0.094 nan 8.300 nan 0.000 0.453 70 V N -0.040 120.013 119.914 0.232 0.000 2.815 70 V HA 0.837 4.957 4.120 -0.000 0.000 0.314 70 V C -0.280 175.887 176.094 0.122 0.000 1.064 70 V CA -0.541 61.835 62.300 0.127 0.000 0.952 70 V CB 1.643 33.503 31.823 0.063 0.000 1.020 70 V HN 0.616 nan 8.190 nan 0.000 0.439 71 T N 3.535 118.130 114.554 0.068 0.000 2.823 71 T HA 0.445 4.795 4.350 -0.000 0.000 0.279 71 T C -0.550 174.166 174.700 0.026 0.000 0.998 71 T CA -0.236 61.896 62.100 0.052 0.000 0.994 71 T CB 1.404 70.294 68.868 0.037 0.000 0.960 71 T HN 0.907 nan 8.240 nan 0.000 0.448 72 Q N 2.100 121.920 119.800 0.033 0.000 2.462 72 Q HA 0.279 4.619 4.340 -0.000 0.000 0.247 72 Q C 0.948 176.993 176.000 0.076 0.000 1.044 72 Q CA -0.495 55.325 55.803 0.027 0.000 0.803 72 Q CB 0.587 29.333 28.738 0.012 0.000 1.190 72 Q HN 0.844 nan 8.270 nan 0.000 0.507 73 S N 2.530 118.280 115.700 0.084 0.000 2.453 73 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 73 S C 0.181 174.832 174.600 0.085 0.000 1.005 73 S CA 0.441 58.690 58.200 0.080 0.000 0.949 73 S CB 0.166 63.406 63.200 0.066 0.000 0.774 73 S HN 0.650 nan 8.310 nan 0.000 0.510 74 E N 0.647 120.919 120.200 0.119 0.000 2.256 74 E HA 0.301 4.651 4.350 -0.000 0.000 0.267 74 E C -1.142 175.507 176.600 0.082 0.000 0.892 74 E CA -0.587 55.858 56.400 0.075 0.000 0.775 74 E CB 1.314 31.031 29.700 0.029 0.000 1.207 74 E HN 0.278 nan 8.360 nan 0.000 0.420 75 Q N 1.995 121.813 119.800 0.030 0.000 2.837 75 Q HA 0.110 4.450 4.340 -0.000 0.000 0.235 75 Q C -0.053 175.929 176.000 -0.031 0.000 1.348 75 Q CA -0.061 55.755 55.803 0.022 0.000 0.990 75 Q CB 0.074 28.819 28.738 0.012 0.000 1.570 75 Q HN 0.220 nan 8.270 nan 0.000 0.575 76 L N 0.841 122.026 121.223 -0.063 0.000 2.741 76 L HA 0.297 4.637 4.340 -0.000 0.000 0.237 76 L C 0.711 177.419 176.870 -0.270 0.000 1.178 76 L CA 0.272 54.979 54.840 -0.222 0.000 0.973 76 L CB 0.262 41.971 42.059 -0.584 0.000 1.255 76 L HN 0.619 nan 8.230 nan 0.000 0.498 77 G N -1.255 107.447 108.800 -0.165 0.000 2.663 77 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.686 77 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.686 77 G C 0.733 175.529 174.900 -0.172 0.000 1.288 77 G CA -0.173 44.794 45.100 -0.221 0.000 0.836 77 G HN 0.174 nan 8.290 nan 0.000 0.584 78 T N -1.593 112.932 114.554 -0.048 0.000 2.759 78 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 78 T C 2.623 177.209 174.700 -0.189 0.000 1.042 78 T CA 2.284 64.356 62.100 -0.047 0.000 1.140 78 T CB -0.606 68.301 68.868 0.064 0.000 0.864 78 T HN 1.941 nan 8.240 nan 0.000 0.455 79 G N 0.703 109.303 108.800 -0.333 0.000 2.421 79 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 79 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 79 G C 1.491 175.984 174.900 -0.678 0.000 1.171 79 G CA 0.900 45.715 45.100 -0.474 0.000 0.775 79 G HN 0.707 nan 8.290 nan 0.000 0.543 80 H N 0.982 119.384 119.070 -1.114 0.000 2.421 80 H HA 0.041 4.597 4.556 -0.000 0.000 0.298 80 H C 2.727 177.881 175.328 -0.291 0.000 1.087 80 H CA 1.165 56.755 56.048 -0.764 0.000 1.330 80 H CB 0.053 29.445 29.762 -0.617 0.000 1.388 80 H HN 0.322 nan 8.280 nan 0.000 0.526 81 A N 0.476 123.130 122.820 -0.277 0.000 1.898 81 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 81 A C 2.725 180.221 177.584 -0.147 0.000 1.181 81 A CA 1.441 53.365 52.037 -0.188 0.000 0.620 81 A CB -0.734 18.219 19.000 -0.078 0.000 0.819 81 A HN 0.298 nan 8.150 nan 0.000 0.442 82 V N -0.685 119.141 119.914 -0.147 0.000 2.379 82 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 82 V C 2.508 178.596 176.094 -0.010 0.000 1.044 82 V CA 2.066 64.309 62.300 -0.096 0.000 1.036 82 V CB -0.693 31.011 31.823 -0.198 0.000 0.664 82 V HN 0.616 nan 8.190 nan 0.000 0.453 83 M N -0.135 119.434 119.600 -0.051 0.000 2.260 83 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 83 M C 1.853 178.177 176.300 0.039 0.000 1.066 83 M CA 1.827 57.178 55.300 0.085 0.000 1.082 83 M CB -0.542 32.130 32.600 0.120 0.000 1.388 83 M HN 0.167 nan 8.290 nan 0.000 0.419 84 M N -0.713 118.832 119.600 -0.091 0.000 2.549 84 M HA -0.028 4.452 4.480 -0.000 0.000 0.260 84 M C 1.729 178.028 176.300 -0.002 0.000 1.076 84 M CA 1.609 56.859 55.300 -0.084 0.000 1.090 84 M CB -1.966 30.550 32.600 -0.140 0.000 1.418 84 M HN 0.545 nan 8.290 nan 0.000 0.486 85 T N -3.315 111.283 114.554 0.074 0.000 3.107 85 T HA 0.056 4.406 4.350 -0.000 0.000 0.249 85 T C 1.488 176.190 174.700 0.003 0.000 1.096 85 T CA 0.114 62.265 62.100 0.086 0.000 1.012 85 T CB 0.124 69.093 68.868 0.168 0.000 0.977 85 T HN 0.335 nan 8.240 nan 0.000 0.527 86 E N 2.292 122.477 120.200 -0.026 0.000 2.049 86 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 86 E C -0.754 175.597 176.600 -0.415 0.000 1.007 86 E CA 1.748 57.876 56.400 -0.454 0.000 0.809 86 E CB -1.069 28.521 29.700 -0.183 0.000 0.749 86 E HN 0.394 nan 8.360 nan 0.000 0.450 87 P HA -0.158 nan 4.420 nan 0.000 0.217 87 P C 1.338 178.530 177.300 -0.179 0.000 1.151 87 P CA 1.535 64.538 63.100 -0.162 0.000 0.849 87 P CB -0.077 31.569 31.700 -0.089 0.000 0.787 88 I N -2.709 117.755 120.570 -0.176 0.000 3.035 88 I HA -0.024 4.146 4.170 -0.000 0.000 0.271 88 I C 1.745 177.725 176.117 -0.228 0.000 1.190 88 I CA 0.857 62.064 61.300 -0.154 0.000 1.472 88 I CB -0.086 37.864 38.000 -0.083 0.000 1.116 88 I HN -0.115 nan 8.210 nan 0.000 0.443 89 L N -0.145 120.873 121.223 -0.341 0.000 2.817 89 L HA 0.209 4.549 4.340 -0.000 0.000 0.248 89 L C 1.024 177.557 176.870 -0.563 0.000 1.133 89 L CA -0.041 54.557 54.840 -0.403 0.000 0.935 89 L CB 0.221 42.199 42.059 -0.134 0.000 1.266 89 L HN 0.154 nan 8.230 nan 0.000 0.535 90 E N 1.088 120.828 120.200 -0.766 0.000 2.384 90 E HA 0.216 4.566 4.350 -0.000 0.000 0.266 90 E C 1.013 177.429 176.600 -0.307 0.000 1.012 90 E CA 1.040 57.044 56.400 -0.660 0.000 0.901 90 E CB 0.734 30.085 29.700 -0.581 0.000 0.967 90 E HN 0.292 nan 8.360 nan 0.000 0.435 91 G N 4.288 112.983 108.800 -0.175 0.000 2.659 91 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.212 91 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.212 91 G C 0.345 175.204 174.900 -0.069 0.000 1.226 91 G CA 0.033 45.075 45.100 -0.097 0.000 0.739 91 G HN 0.545 nan 8.290 nan 0.000 0.528 92 L N 1.868 123.011 121.223 -0.132 0.000 2.543 92 L HA 0.412 4.752 4.340 -0.000 0.000 0.285 92 L C 1.084 177.957 176.870 0.005 0.000 1.236 92 L CA 0.720 55.495 54.840 -0.109 0.000 0.871 92 L CB 0.830 42.651 42.059 -0.397 0.000 1.121 92 L HN 0.434 nan 8.230 nan 0.000 0.501 93 S N 1.074 116.848 115.700 0.124 0.000 2.608 93 S HA 0.894 5.364 4.470 -0.000 0.000 0.291 93 S C -0.084 174.687 174.600 0.284 0.000 1.146 93 S CA 0.304 58.592 58.200 0.147 0.000 1.043 93 S CB 1.661 64.913 63.200 0.087 0.000 1.037 93 S HN 1.032 nan 8.310 nan 0.000 0.520 94 G N 2.285 111.165 108.800 0.133 0.000 2.346 94 G HA2 0.174 4.134 3.960 -0.000 0.000 0.294 94 G HA3 0.174 4.134 3.960 -0.000 0.000 0.294 94 G C -2.035 172.749 174.900 -0.193 0.000 1.294 94 G CA -0.961 44.110 45.100 -0.048 0.000 0.962 94 G HN 0.904 nan 8.290 nan 0.000 0.508 95 H N -0.189 119.000 119.070 0.198 0.000 2.517 95 H HA 0.674 5.230 4.556 -0.000 0.000 0.317 95 H C -0.058 175.397 175.328 0.211 0.000 1.080 95 H CA -0.005 56.157 56.048 0.190 0.000 1.301 95 H CB 1.587 31.428 29.762 0.132 0.000 1.425 95 H HN 0.463 nan 8.280 nan 0.000 0.471 96 T N 3.915 118.659 114.554 0.316 0.000 2.786 96 T HA 0.270 4.620 4.350 -0.000 0.000 0.283 96 T C -0.311 174.533 174.700 0.239 0.000 0.992 96 T CA -0.761 61.537 62.100 0.329 0.000 0.954 96 T CB 0.991 70.064 68.868 0.342 0.000 0.934 96 T HN 0.288 nan 8.240 nan 0.000 0.440 97 L N 4.826 126.168 121.223 0.198 0.000 2.305 97 L HA 0.649 4.989 4.340 -0.000 0.000 0.281 97 L C -0.881 176.106 176.870 0.194 0.000 1.085 97 L CA -0.195 54.736 54.840 0.151 0.000 0.813 97 L CB 0.833 42.956 42.059 0.105 0.000 1.157 97 L HN 0.437 nan 8.230 nan 0.000 0.436 98 V N 7.459 127.514 119.914 0.234 0.000 2.376 98 V HA 0.503 4.623 4.120 -0.000 0.000 0.287 98 V C -0.216 176.016 176.094 0.230 0.000 1.015 98 V CA -0.339 62.121 62.300 0.267 0.000 0.834 98 V CB 1.206 33.273 31.823 0.408 0.000 1.001 98 V HN 0.740 nan 8.190 nan 0.000 0.428 99 I N 3.317 123.976 120.570 0.148 0.000 2.865 99 I HA 0.858 5.028 4.170 -0.000 0.000 0.302 99 I C 0.155 176.314 176.117 0.069 0.000 1.140 99 I CA -0.615 60.739 61.300 0.091 0.000 1.021 99 I CB 2.186 40.219 38.000 0.055 0.000 1.233 99 I HN 0.643 nan 8.210 nan 0.000 0.427 100 A N 3.611 126.456 122.820 0.042 0.000 2.302 100 A HA 0.551 4.871 4.320 -0.000 0.000 0.285 100 A C 0.897 178.476 177.584 -0.009 0.000 1.105 100 A CA 0.084 52.136 52.037 0.026 0.000 0.816 100 A CB 0.810 19.822 19.000 0.020 0.000 1.067 100 A HN 0.972 nan 8.150 nan 0.000 0.489 101 G N -0.192 108.596 108.800 -0.020 0.000 2.920 101 G HA2 0.082 4.042 3.960 -0.000 0.000 0.208 101 G HA3 0.082 4.042 3.960 -0.000 0.000 0.208 101 G C 0.314 175.189 174.900 -0.043 0.000 1.159 101 G CA 0.924 45.986 45.100 -0.064 0.000 0.784 101 G HN 0.812 nan 8.290 nan 0.000 0.535 102 D N -0.116 120.270 120.400 -0.023 0.000 2.368 102 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 102 D C 0.877 177.154 176.300 -0.038 0.000 1.112 102 D CA -0.014 53.973 54.000 -0.022 0.000 0.834 102 D CB -0.398 40.393 40.800 -0.015 0.000 0.953 102 D HN 0.126 nan 8.370 nan 0.000 0.505 103 T N -1.176 113.351 114.554 -0.044 0.000 3.332 103 T HA 0.341 4.691 4.350 -0.000 0.000 0.385 103 T C -1.902 172.761 174.700 -0.061 0.000 1.695 103 T CA -1.383 60.679 62.100 -0.062 0.000 1.397 103 T CB 1.626 70.454 68.868 -0.067 0.000 1.100 103 T HN -0.164 nan 8.240 nan 0.000 0.669 104 P HA 0.160 nan 4.420 nan 0.000 0.241 104 P C 1.073 178.293 177.300 -0.134 0.000 1.191 104 P CA 0.036 63.092 63.100 -0.074 0.000 0.771 104 P CB 0.216 31.865 31.700 -0.086 0.000 0.929 105 L N -1.014 120.132 121.223 -0.128 0.000 2.446 105 L HA 0.172 4.512 4.340 -0.000 0.000 0.219 105 L C 1.488 178.299 176.870 -0.098 0.000 1.116 105 L CA -0.147 54.613 54.840 -0.133 0.000 0.844 105 L CB -0.387 41.590 42.059 -0.137 0.000 0.970 105 L HN -0.166 nan 8.230 nan 0.000 0.457 106 I N 0.886 121.408 120.570 -0.080 0.000 2.752 106 I HA -0.038 4.132 4.170 -0.000 0.000 0.287 106 I C 0.979 177.077 176.117 -0.031 0.000 1.188 106 I CA 0.248 61.512 61.300 -0.059 0.000 1.427 106 I CB 0.768 38.737 38.000 -0.052 0.000 1.365 106 I HN 0.179 nan 8.210 nan 0.000 0.585 107 T N 1.621 116.162 114.554 -0.022 0.000 2.934 107 T HA 0.360 4.710 4.350 -0.000 0.000 0.283 107 T C 1.182 175.888 174.700 0.010 0.000 1.005 107 T CA -0.347 61.751 62.100 -0.004 0.000 1.041 107 T CB 1.715 70.577 68.868 -0.009 0.000 1.042 107 T HN 0.726 nan 8.240 nan 0.000 0.505 108 G N 0.132 108.943 108.800 0.018 0.000 2.422 108 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 108 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 108 G C 1.295 176.201 174.900 0.011 0.000 1.146 108 G CA 0.709 45.821 45.100 0.019 0.000 0.769 108 G HN 0.784 nan 8.290 nan 0.000 0.547 109 E N 0.746 120.952 120.200 0.010 0.000 2.051 109 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 109 E C 2.830 179.442 176.600 0.020 0.000 0.991 109 E CA 1.209 57.615 56.400 0.009 0.000 0.799 109 E CB -0.300 29.407 29.700 0.010 0.000 0.748 109 E HN 0.292 nan 8.360 nan 0.000 0.449 110 S N -0.263 115.458 115.700 0.034 0.000 2.382 110 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 110 S C 1.591 176.226 174.600 0.058 0.000 1.027 110 S CA 0.660 58.908 58.200 0.081 0.000 0.991 110 S CB -0.209 63.026 63.200 0.059 0.000 0.823 110 S HN 0.155 nan 8.310 nan 0.000 0.469 111 L N 1.548 122.784 121.223 0.021 0.000 2.083 111 L HA 0.010 4.349 4.340 -0.000 0.000 0.209 111 L C 2.132 178.988 176.870 -0.025 0.000 1.083 111 L CA 1.692 56.534 54.840 0.005 0.000 0.752 111 L CB -0.751 41.315 42.059 0.011 0.000 0.899 111 L HN 0.165 nan 8.230 nan 0.000 0.433 112 K N -0.553 119.830 120.400 -0.028 0.000 2.026 112 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 112 K C 1.851 178.392 176.600 -0.099 0.000 1.048 112 K CA 1.715 57.972 56.287 -0.050 0.000 0.929 112 K CB -0.200 32.280 32.500 -0.034 0.000 0.713 112 K HN 0.427 nan 8.250 nan 0.000 0.439 113 N N 0.507 119.126 118.700 -0.134 0.000 2.223 113 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 113 N C 1.603 176.790 175.510 -0.539 0.000 1.016 113 N CA 0.450 53.309 53.050 -0.318 0.000 0.863 113 N CB -0.022 38.265 38.487 -0.334 0.000 0.983 113 N HN 0.022 nan 8.380 nan 0.000 0.429 114 L N 1.376 122.401 121.223 -0.331 0.000 1.994 114 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 114 L C 1.833 178.656 176.870 -0.078 0.000 1.071 114 L CA 1.427 56.138 54.840 -0.215 0.000 0.745 114 L CB -0.429 41.613 42.059 -0.029 0.000 0.892 114 L HN 0.168 nan 8.230 nan 0.000 0.431 115 I N -0.429 120.103 120.570 -0.063 0.000 2.142 115 I HA -0.305 3.864 4.170 -0.000 0.000 0.240 115 I C 2.105 178.210 176.117 -0.019 0.000 1.078 115 I CA 1.547 62.830 61.300 -0.028 0.000 1.343 115 I CB -0.602 37.359 38.000 -0.065 0.000 1.046 115 I HN 0.284 nan 8.210 nan 0.000 0.405 116 D N 0.753 121.114 120.400 -0.065 0.000 2.116 116 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 116 D C 1.930 178.224 176.300 -0.010 0.000 0.998 116 D CA 1.397 55.362 54.000 -0.059 0.000 0.836 116 D CB -0.481 40.277 40.800 -0.071 0.000 0.951 116 D HN 0.281 nan 8.370 nan 0.000 0.449 117 F N 0.185 120.025 119.950 -0.183 0.000 2.202 117 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 117 F C 2.307 178.065 175.800 -0.070 0.000 1.082 117 F CA 1.644 59.551 58.000 -0.154 0.000 1.313 117 F CB -0.104 38.700 39.000 -0.326 0.000 1.024 117 F HN 0.050 nan 8.300 nan 0.000 0.495 118 H N 0.221 119.321 119.070 0.050 0.000 2.260 118 H HA -0.094 4.462 4.556 -0.000 0.000 0.304 118 H C 2.203 177.513 175.328 -0.031 0.000 1.059 118 H CA 2.688 58.748 56.048 0.020 0.000 1.305 118 H CB -0.612 29.181 29.762 0.050 0.000 1.388 118 H HN 0.258 nan 8.280 nan 0.000 0.496 119 I N 0.489 121.018 120.570 -0.069 0.000 2.236 119 I HA -0.358 3.812 4.170 -0.000 0.000 0.249 119 I C 2.501 178.546 176.117 -0.119 0.000 1.102 119 I CA 1.681 62.883 61.300 -0.164 0.000 1.365 119 I CB -0.633 37.228 38.000 -0.231 0.000 1.051 119 I HN 0.486 nan 8.210 nan 0.000 0.420 120 N N 0.593 119.246 118.700 -0.079 0.000 2.000 120 N HA -0.242 4.498 4.740 -0.000 0.000 0.198 120 N C 1.498 176.966 175.510 -0.071 0.000 1.057 120 N CA 1.656 54.670 53.050 -0.059 0.000 0.858 120 N CB -0.071 38.411 38.487 -0.008 0.000 1.057 120 N HN 0.374 nan 8.380 nan 0.000 0.423 121 H N 0.862 119.737 119.070 -0.324 0.000 2.556 121 H HA 0.161 4.716 4.556 -0.000 0.000 0.273 121 H C 0.034 175.227 175.328 -0.224 0.000 1.030 121 H CA 0.330 56.214 56.048 -0.273 0.000 1.156 121 H CB -0.154 29.410 29.762 -0.330 0.000 1.326 121 H HN 0.276 nan 8.280 nan 0.000 0.609 122 K N 0.100 120.427 120.400 -0.123 0.000 2.948 122 K HA -0.290 4.030 4.320 -0.000 0.000 0.253 122 K C -0.464 176.019 176.600 -0.195 0.000 0.970 122 K CA 0.601 56.794 56.287 -0.157 0.000 0.716 122 K CB -2.094 30.355 32.500 -0.084 0.000 1.249 122 K HN 0.614 nan 8.250 nan 0.000 0.483 123 N N 0.008 118.543 118.700 -0.275 0.000 2.344 123 N HA 0.010 4.750 4.740 -0.000 0.000 0.236 123 N C 1.428 176.852 175.510 -0.143 0.000 1.279 123 N CA -0.045 52.906 53.050 -0.166 0.000 0.882 123 N CB 0.660 39.123 38.487 -0.041 0.000 1.110 123 N HN -0.095 nan 8.380 nan 0.000 0.436 124 V N 0.108 119.999 119.914 -0.038 0.000 2.599 124 V HA 0.123 4.243 4.120 -0.000 0.000 0.245 124 V C 0.576 176.793 176.094 0.205 0.000 1.046 124 V CA 1.108 63.368 62.300 -0.068 0.000 1.065 124 V CB -0.388 31.147 31.823 -0.481 0.000 0.703 124 V HN 0.776 nan 8.190 nan 0.000 0.464 125 A N -0.741 122.222 122.820 0.238 0.000 2.449 125 A HA 0.731 5.051 4.320 -0.000 0.000 0.302 125 A C -0.526 177.178 177.584 0.200 0.000 1.048 125 A CA -0.290 51.888 52.037 0.236 0.000 0.708 125 A CB 1.682 20.932 19.000 0.417 0.000 1.274 125 A HN 0.134 nan 8.150 nan 0.000 0.410 126 T N 2.216 116.789 114.554 0.032 0.000 2.841 126 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 126 T C -0.486 174.206 174.700 -0.013 0.000 0.991 126 T CA -0.051 62.115 62.100 0.112 0.000 0.966 126 T CB 0.758 69.769 68.868 0.239 0.000 0.962 126 T HN 0.459 nan 8.240 nan 0.000 0.438 127 I N 3.301 123.887 120.570 0.027 0.000 2.336 127 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 127 I C -0.348 175.690 176.117 -0.131 0.000 0.991 127 I CA -0.984 60.291 61.300 -0.043 0.000 1.227 127 I CB 1.364 39.379 38.000 0.024 0.000 1.366 127 I HN 0.355 nan 8.210 nan 0.000 0.466 128 L N 8.226 129.315 121.223 -0.224 0.000 2.325 128 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 128 L C 0.455 177.193 176.870 -0.220 0.000 1.089 128 L CA 0.533 55.259 54.840 -0.191 0.000 0.836 128 L CB 0.350 42.304 42.059 -0.174 0.000 1.184 128 L HN 0.776 nan 8.230 nan 0.000 0.444 129 T N 2.343 116.764 114.554 -0.222 0.000 2.919 129 T HA 1.004 5.354 4.350 -0.000 0.000 0.282 129 T C -0.307 174.280 174.700 -0.188 0.000 1.020 129 T CA -0.265 61.725 62.100 -0.184 0.000 0.994 129 T CB 1.788 70.561 68.868 -0.158 0.000 1.180 129 T HN 0.978 nan 8.240 nan 0.000 0.566 130 A N 0.035 122.784 122.820 -0.120 0.000 2.586 130 A HA 0.710 5.030 4.320 -0.000 0.000 0.290 130 A C -1.533 176.016 177.584 -0.059 0.000 1.086 130 A CA -0.994 51.009 52.037 -0.056 0.000 0.665 130 A CB 1.108 20.155 19.000 0.078 0.000 1.279 130 A HN 0.868 nan 8.150 nan 0.000 0.423 131 E N -0.146 120.010 120.200 -0.073 0.000 2.238 131 E HA 0.681 5.031 4.350 -0.000 0.000 0.267 131 E C -0.994 175.327 176.600 -0.465 0.000 0.887 131 E CA -0.625 55.641 56.400 -0.223 0.000 0.769 131 E CB 2.331 31.926 29.700 -0.175 0.000 1.187 131 E HN 0.662 nan 8.360 nan 0.000 0.416 132 T N 0.357 114.536 114.554 -0.625 0.000 2.853 132 T HA 0.143 4.493 4.350 -0.000 0.000 0.311 132 T C -0.857 173.566 174.700 -0.461 0.000 1.307 132 T CA -0.619 60.997 62.100 -0.806 0.000 1.019 132 T CB 1.310 69.225 68.868 -1.588 0.000 1.264 132 T HN 0.275 nan 8.240 nan 0.000 0.497 133 D N 2.054 122.247 120.400 -0.345 0.000 2.340 133 D HA 0.161 4.800 4.640 -0.000 0.000 0.220 133 D C -0.141 176.065 176.300 -0.156 0.000 1.039 133 D CA 0.417 54.294 54.000 -0.205 0.000 0.866 133 D CB 0.115 40.828 40.800 -0.144 0.000 0.913 133 D HN 0.482 nan 8.370 nan 0.000 0.523 134 N N 0.688 119.275 118.700 -0.188 0.000 2.765 134 N HA 0.121 4.861 4.740 -0.000 0.000 0.277 134 N C -2.091 173.401 175.510 -0.030 0.000 1.750 134 N CA -0.838 52.178 53.050 -0.057 0.000 0.827 134 N CB 1.530 40.015 38.487 -0.003 0.000 1.200 134 N HN -0.040 nan 8.380 nan 0.000 0.494 135 P HA -0.077 nan 4.420 nan 0.000 0.242 135 P C -0.062 177.354 177.300 0.195 0.000 1.197 135 P CA -0.108 62.953 63.100 -0.064 0.000 0.765 135 P CB -0.037 31.584 31.700 -0.132 0.000 0.936 136 F N 2.193 122.195 119.950 0.088 0.000 2.612 136 F HA 0.293 4.819 4.527 -0.000 0.000 0.389 136 F C 1.516 177.408 175.800 0.154 0.000 1.055 136 F CA 1.765 59.820 58.000 0.092 0.000 1.232 136 F CB -0.094 38.934 39.000 0.047 0.000 1.044 136 F HN 0.285 nan 8.300 nan 0.000 0.560 137 G N 3.824 112.182 108.800 -0.737 0.000 2.279 137 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.223 137 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.223 137 G C -0.102 174.619 174.900 -0.299 0.000 1.015 137 G CA -0.002 44.688 45.100 -0.684 0.000 0.621 137 G HN 0.694 nan 8.290 nan 0.000 0.506 138 Y N 1.456 121.641 120.300 -0.191 0.000 2.300 138 Y HA 0.529 5.079 4.550 -0.000 0.000 0.328 138 Y C 1.425 177.269 175.900 -0.093 0.000 1.270 138 Y CA 0.039 58.077 58.100 -0.104 0.000 1.352 138 Y CB 0.737 39.175 38.460 -0.037 0.000 1.286 138 Y HN 0.340 nan 8.280 nan 0.000 0.536 139 G N 2.583 111.450 108.800 0.111 0.000 2.406 139 G HA2 0.325 4.285 3.960 -0.000 0.000 0.251 139 G HA3 0.325 4.285 3.960 -0.000 0.000 0.251 139 G C -0.219 174.714 174.900 0.054 0.000 1.271 139 G CA -0.798 44.332 45.100 0.051 0.000 0.859 139 G HN 0.366 nan 8.290 nan 0.000 0.540 140 R N 0.986 121.497 120.500 0.017 0.000 2.532 140 R HA 0.324 4.664 4.340 -0.000 0.000 0.272 140 R C -0.219 176.076 176.300 -0.008 0.000 1.032 140 R CA -0.896 55.197 56.100 -0.011 0.000 1.089 140 R CB 1.473 31.750 30.300 -0.038 0.000 1.098 140 R HN 0.284 nan 8.270 nan 0.000 0.526 141 I N 2.810 123.363 120.570 -0.028 0.000 2.306 141 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 141 I C 0.121 176.226 176.117 -0.020 0.000 1.036 141 I CA -0.783 60.509 61.300 -0.014 0.000 1.221 141 I CB 1.012 38.996 38.000 -0.027 0.000 1.385 141 I HN 0.107 nan 8.210 nan 0.000 0.472 142 V N 8.212 128.128 119.914 0.002 0.000 2.406 142 V HA 0.437 4.557 4.120 -0.000 0.000 0.272 142 V C 0.475 176.585 176.094 0.028 0.000 1.043 142 V CA -0.590 61.713 62.300 0.005 0.000 0.915 142 V CB 1.041 32.876 31.823 0.020 0.000 0.988 142 V HN 0.662 nan 8.190 nan 0.000 0.466 143 R N 2.969 123.485 120.500 0.026 0.000 2.807 143 R HA 0.500 4.840 4.340 -0.000 0.000 0.276 143 R C -0.557 175.775 176.300 0.054 0.000 0.979 143 R CA -0.892 55.233 56.100 0.043 0.000 0.928 143 R CB 1.769 32.091 30.300 0.036 0.000 1.191 143 R HN 0.868 nan 8.270 nan 0.000 0.471 144 N N -0.454 118.282 118.700 0.059 0.000 2.463 144 N HA 0.002 4.742 4.740 -0.000 0.000 0.270 144 N C 0.047 175.592 175.510 0.058 0.000 1.205 144 N CA -0.593 52.494 53.050 0.062 0.000 0.974 144 N CB 0.440 38.962 38.487 0.057 0.000 1.197 144 N HN 0.582 nan 8.380 nan 0.000 0.504 145 D N -1.433 119.001 120.400 0.058 0.000 2.332 145 D HA -0.293 4.347 4.640 -0.000 0.000 0.209 145 D C 0.444 176.771 176.300 0.045 0.000 0.988 145 D CA 1.271 55.302 54.000 0.051 0.000 0.912 145 D CB -0.354 40.472 40.800 0.044 0.000 0.899 145 D HN 0.640 nan 8.370 nan 0.000 0.477 146 N N -0.000 118.727 118.700 0.046 0.000 2.251 146 N HA 0.165 4.905 4.740 -0.000 0.000 0.217 146 N C -0.100 175.441 175.510 0.053 0.000 1.124 146 N CA 0.584 53.660 53.050 0.044 0.000 0.843 146 N CB 0.175 38.687 38.487 0.041 0.000 1.024 146 N HN 0.221 nan 8.380 nan 0.000 0.501 147 A N 1.023 123.875 122.820 0.054 0.000 2.519 147 A HA -0.215 4.105 4.320 -0.000 0.000 0.297 147 A C -0.527 177.102 177.584 0.075 0.000 1.472 147 A CA 0.944 53.016 52.037 0.059 0.000 0.739 147 A CB -1.921 17.114 19.000 0.059 0.000 1.096 147 A HN 0.563 nan 8.150 nan 0.000 0.414 148 E N -0.590 119.653 120.200 0.072 0.000 2.222 148 E HA 0.506 4.856 4.350 -0.000 0.000 0.267 148 E C -0.197 176.451 176.600 0.080 0.000 0.884 148 E CA -1.121 55.330 56.400 0.084 0.000 0.764 148 E CB 2.148 31.894 29.700 0.076 0.000 1.169 148 E HN 0.312 nan 8.360 nan 0.000 0.413 149 V N 4.659 124.628 119.914 0.091 0.000 2.409 149 V HA -0.076 4.044 4.120 -0.000 0.000 0.270 149 V C 0.771 176.920 176.094 0.092 0.000 1.019 149 V CA 0.331 62.683 62.300 0.086 0.000 1.066 149 V CB -0.173 31.709 31.823 0.099 0.000 1.021 149 V HN 0.681 nan 8.190 nan 0.000 0.476 150 L N 5.231 126.502 121.223 0.080 0.000 2.084 150 L HA 0.209 4.549 4.340 -0.000 0.000 0.202 150 L C 1.198 178.124 176.870 0.093 0.000 1.074 150 L CA 1.406 56.296 54.840 0.084 0.000 0.757 150 L CB -0.582 41.520 42.059 0.071 0.000 0.918 150 L HN 0.890 nan 8.230 nan 0.000 0.444 151 R N -2.181 118.368 120.500 0.082 0.000 2.764 151 R HA 0.529 4.869 4.340 -0.000 0.000 0.276 151 R C -1.428 174.916 176.300 0.072 0.000 1.021 151 R CA -0.814 55.338 56.100 0.085 0.000 0.870 151 R CB 0.823 31.168 30.300 0.074 0.000 1.293 151 R HN -0.142 nan 8.270 nan 0.000 0.469 152 I N 1.207 121.822 120.570 0.075 0.000 2.441 152 I HA 0.480 4.650 4.170 -0.000 0.000 0.295 152 I C -0.767 175.377 176.117 0.045 0.000 0.994 152 I CA -1.346 59.993 61.300 0.066 0.000 1.144 152 I CB 2.278 40.336 38.000 0.098 0.000 1.314 152 I HN 0.250 nan 8.210 nan 0.000 0.445 153 V N 5.327 125.257 119.914 0.027 0.000 2.483 153 V HA 0.304 4.424 4.120 -0.000 0.000 0.297 153 V C 0.038 176.133 176.094 0.002 0.000 1.027 153 V CA -0.861 61.448 62.300 0.014 0.000 0.855 153 V CB 1.548 33.376 31.823 0.009 0.000 0.995 153 V HN 0.598 nan 8.190 nan 0.000 0.424 154 E N 2.276 122.469 120.200 -0.011 0.000 2.410 154 E HA 0.049 4.399 4.350 -0.000 0.000 0.255 154 E C 0.897 177.474 176.600 -0.037 0.000 1.194 154 E CA -0.135 56.243 56.400 -0.037 0.000 0.955 154 E CB 0.794 30.455 29.700 -0.065 0.000 0.988 154 E HN 0.697 nan 8.360 nan 0.000 0.461 155 Q N 1.713 121.471 119.800 -0.070 0.000 2.084 155 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 155 Q C 1.768 177.756 176.000 -0.021 0.000 0.978 155 Q CA 2.314 58.077 55.803 -0.066 0.000 0.844 155 Q CB -0.079 28.539 28.738 -0.200 0.000 0.898 155 Q HN 0.540 nan 8.270 nan 0.000 0.426 156 K N -0.870 119.508 120.400 -0.037 0.000 2.209 156 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 156 K C 0.531 177.135 176.600 0.007 0.000 1.048 156 K CA 1.629 57.911 56.287 -0.008 0.000 0.940 156 K CB 0.041 32.526 32.500 -0.024 0.000 0.729 156 K HN 0.206 nan 8.250 nan 0.000 0.451 157 D N 0.991 121.391 120.400 0.001 0.000 2.389 157 D HA 0.114 4.754 4.640 -0.000 0.000 0.206 157 D C 0.232 176.545 176.300 0.021 0.000 1.055 157 D CA 0.159 54.166 54.000 0.012 0.000 0.856 157 D CB 0.462 41.267 40.800 0.008 0.000 0.957 157 D HN 0.323 nan 8.370 nan 0.000 0.509 158 A N 1.814 124.645 122.820 0.019 0.000 2.540 158 A HA 0.281 4.601 4.320 -0.000 0.000 0.239 158 A C 0.978 178.585 177.584 0.038 0.000 1.061 158 A CA -0.000 52.050 52.037 0.022 0.000 0.758 158 A CB -0.019 18.989 19.000 0.013 0.000 0.991 158 A HN 0.154 nan 8.150 nan 0.000 0.502 159 T N 0.292 114.875 114.554 0.047 0.000 2.868 159 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 159 T C 0.578 175.325 174.700 0.079 0.000 1.028 159 T CA -0.087 62.059 62.100 0.075 0.000 1.059 159 T CB 0.711 69.648 68.868 0.116 0.000 0.991 159 T HN 0.571 nan 8.240 nan 0.000 0.531 160 D N 0.148 120.605 120.400 0.096 0.000 2.133 160 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 160 D C 1.440 177.814 176.300 0.122 0.000 1.001 160 D CA 1.259 55.316 54.000 0.095 0.000 0.844 160 D CB -0.337 40.520 40.800 0.095 0.000 0.944 160 D HN 0.606 nan 8.370 nan 0.000 0.447 161 F N 1.843 121.802 119.950 0.016 0.000 2.216 161 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 161 F C 2.039 177.847 175.800 0.014 0.000 1.085 161 F CA 1.264 59.271 58.000 0.012 0.000 1.326 161 F CB -0.146 38.860 39.000 0.011 0.000 1.027 161 F HN -0.058 nan 8.300 nan 0.000 0.497 162 E N -0.229 119.865 120.200 -0.177 0.000 2.216 162 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 162 E C 1.928 178.423 176.600 -0.176 0.000 0.988 162 E CA 0.572 56.817 56.400 -0.259 0.000 0.834 162 E CB -0.065 29.578 29.700 -0.094 0.000 0.772 162 E HN 0.415 nan 8.360 nan 0.000 0.479 163 K N 0.597 120.947 120.400 -0.082 0.000 2.360 163 K HA -0.109 4.211 4.320 -0.000 0.000 0.201 163 K C 1.979 178.540 176.600 -0.066 0.000 1.046 163 K CA 0.636 56.905 56.287 -0.030 0.000 0.945 163 K CB 0.113 32.633 32.500 0.034 0.000 0.750 163 K HN 0.026 nan 8.250 nan 0.000 0.464 164 Q N 0.604 120.325 119.800 -0.132 0.000 2.224 164 Q HA -0.000 4.340 4.340 -0.000 0.000 0.203 164 Q C 0.675 176.581 176.000 -0.156 0.000 0.970 164 Q CA 0.652 56.376 55.803 -0.132 0.000 0.865 164 Q CB -0.107 28.542 28.738 -0.148 0.000 0.922 164 Q HN 0.391 nan 8.270 nan 0.000 0.445 165 I N 1.929 122.380 120.570 -0.199 0.000 2.741 165 I HA -0.136 4.034 4.170 -0.000 0.000 0.288 165 I C 1.142 177.177 176.117 -0.138 0.000 1.192 165 I CA 0.270 61.468 61.300 -0.170 0.000 1.426 165 I CB 0.393 38.294 38.000 -0.165 0.000 1.367 165 I HN -0.164 nan 8.210 nan 0.000 0.563 166 K N 3.640 123.954 120.400 -0.143 0.000 2.379 166 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 166 K C 0.449 176.928 176.600 -0.201 0.000 1.031 166 K CA 0.211 56.393 56.287 -0.176 0.000 1.037 166 K CB 0.121 32.518 32.500 -0.171 0.000 0.824 166 K HN 0.518 nan 8.250 nan 0.000 0.516 167 E N 1.459 121.566 120.200 -0.155 0.000 2.259 167 E HA 0.187 4.537 4.350 -0.000 0.000 0.281 167 E C -0.657 175.865 176.600 -0.130 0.000 1.037 167 E CA -0.581 55.733 56.400 -0.144 0.000 0.854 167 E CB 0.423 30.056 29.700 -0.111 0.000 1.051 167 E HN 0.097 nan 8.360 nan 0.000 0.409 168 I N 1.409 121.894 120.570 -0.142 0.000 2.957 168 I HA 0.464 4.633 4.170 -0.000 0.000 0.310 168 I C -0.611 175.483 176.117 -0.038 0.000 1.063 168 I CA -1.222 60.020 61.300 -0.097 0.000 1.033 168 I CB 1.377 39.226 38.000 -0.252 0.000 1.230 168 I HN 0.331 nan 8.210 nan 0.000 0.447 169 N N 1.192 119.912 118.700 0.033 0.000 2.422 169 N HA 0.245 4.984 4.740 -0.000 0.000 0.264 169 N C 0.779 176.299 175.510 0.017 0.000 1.063 169 N CA 0.308 53.358 53.050 0.001 0.000 0.959 169 N CB 0.991 39.508 38.487 0.049 0.000 1.087 169 N HN 0.877 nan 8.380 nan 0.000 0.483 170 T N 0.665 115.159 114.554 -0.101 0.000 3.088 170 T HA 0.183 4.533 4.350 -0.000 0.000 0.259 170 T C 1.259 175.874 174.700 -0.141 0.000 1.122 170 T CA 0.485 62.532 62.100 -0.090 0.000 1.095 170 T CB -0.468 68.312 68.868 -0.146 0.000 0.930 170 T HN 0.756 nan 8.240 nan 0.000 0.508 171 G N 0.679 109.307 108.800 -0.286 0.000 2.141 171 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 171 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 171 G C 0.072 174.739 174.900 -0.388 0.000 0.982 171 G CA 0.137 45.089 45.100 -0.247 0.000 0.662 171 G HN 0.769 nan 8.290 nan 0.000 0.527 172 T N 0.257 114.436 114.554 -0.626 0.000 2.823 172 T HA 0.722 5.072 4.350 -0.000 0.000 0.279 172 T C -0.765 173.562 174.700 -0.622 0.000 0.998 172 T CA -0.166 61.716 62.100 -0.363 0.000 0.994 172 T CB 1.608 70.358 68.868 -0.197 0.000 0.960 172 T HN 0.349 nan 8.240 nan 0.000 0.448 173 Y N -0.136 120.135 120.300 -0.048 0.000 2.625 173 Y HA 0.659 5.209 4.550 -0.000 0.000 0.338 173 Y C -0.704 175.042 175.900 -0.256 0.000 1.123 173 Y CA -1.420 56.551 58.100 -0.215 0.000 1.046 173 Y CB 1.353 39.570 38.460 -0.405 0.000 1.299 173 Y HN 0.322 nan 8.280 nan 0.000 0.464 174 V N 2.466 122.213 119.914 -0.279 0.000 2.483 174 V HA 0.525 4.645 4.120 -0.000 0.000 0.297 174 V C -1.175 174.586 176.094 -0.555 0.000 1.027 174 V CA -0.896 61.203 62.300 -0.333 0.000 0.855 174 V CB 1.153 32.712 31.823 -0.440 0.000 0.995 174 V HN 0.577 nan 8.190 nan 0.000 0.424 175 F N 1.209 121.137 119.950 -0.037 0.000 2.561 175 F HA 0.538 5.065 4.527 -0.000 0.000 0.321 175 F C 0.268 176.140 175.800 0.120 0.000 1.065 175 F CA -0.973 57.075 58.000 0.080 0.000 0.934 175 F CB 1.473 40.527 39.000 0.090 0.000 1.215 175 F HN 0.364 nan 8.300 nan 0.000 0.471 176 D N 1.419 122.054 120.400 0.392 0.000 2.339 176 D HA 0.040 4.680 4.640 -0.000 0.000 0.256 176 D C 0.940 177.378 176.300 0.229 0.000 1.214 176 D CA 0.314 54.465 54.000 0.252 0.000 0.877 176 D CB 0.762 41.662 40.800 0.167 0.000 1.111 176 D HN 0.509 nan 8.370 nan 0.000 0.478 177 N N 2.598 121.427 118.700 0.215 0.000 2.132 177 N HA -0.236 4.504 4.740 -0.000 0.000 0.191 177 N C 1.282 176.926 175.510 0.224 0.000 1.015 177 N CA 1.490 54.674 53.050 0.222 0.000 0.864 177 N CB 0.272 38.910 38.487 0.251 0.000 1.006 177 N HN 0.455 nan 8.380 nan 0.000 0.430 178 E N -0.414 119.889 120.200 0.171 0.000 2.007 178 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 178 E C 2.078 178.775 176.600 0.161 0.000 0.999 178 E CA 0.834 57.325 56.400 0.151 0.000 0.811 178 E CB 0.020 29.777 29.700 0.095 0.000 0.762 178 E HN 0.261 nan 8.360 nan 0.000 0.450 179 R N 0.492 121.082 120.500 0.149 0.000 2.091 179 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 179 R C 2.507 178.942 176.300 0.225 0.000 1.136 179 R CA 0.708 56.924 56.100 0.194 0.000 0.959 179 R CB -0.871 29.524 30.300 0.159 0.000 0.856 179 R HN 0.207 nan 8.270 nan 0.000 0.437 180 L N 0.466 121.782 121.223 0.156 0.000 1.963 180 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 180 L C 2.034 178.739 176.870 -0.274 0.000 1.076 180 L CA 1.942 56.692 54.840 -0.151 0.000 0.772 180 L CB -0.875 40.961 42.059 -0.372 0.000 0.892 180 L HN 0.000 nan 8.230 nan 0.000 0.435 181 F N -0.018 119.910 119.950 -0.036 0.000 2.293 181 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 181 F C 2.532 178.319 175.800 -0.021 0.000 1.086 181 F CA 1.468 59.442 58.000 -0.043 0.000 1.375 181 F CB -0.522 38.454 39.000 -0.040 0.000 1.045 181 F HN 0.308 nan 8.300 nan 0.000 0.516 182 E N 0.227 120.522 120.200 0.158 0.000 2.017 182 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 182 E C 2.416 179.051 176.600 0.058 0.000 0.997 182 E CA 1.034 57.501 56.400 0.110 0.000 0.804 182 E CB -0.242 29.530 29.700 0.120 0.000 0.757 182 E HN 0.273 nan 8.360 nan 0.000 0.448 183 A N 0.506 123.349 122.820 0.039 0.000 2.076 183 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 183 A C 1.990 179.516 177.584 -0.097 0.000 1.160 183 A CA 0.881 52.889 52.037 -0.048 0.000 0.653 183 A CB -0.347 18.553 19.000 -0.167 0.000 0.801 183 A HN 0.251 nan 8.150 nan 0.000 0.455 184 L N -0.700 120.476 121.223 -0.079 0.000 2.156 184 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 184 L C 2.173 179.040 176.870 -0.006 0.000 1.095 184 L CA 1.556 56.381 54.840 -0.025 0.000 0.770 184 L CB -0.244 41.805 42.059 -0.018 0.000 0.914 184 L HN 0.206 nan 8.230 nan 0.000 0.439 185 K N -0.991 119.409 120.400 0.002 0.000 2.137 185 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 185 K C 1.802 178.357 176.600 -0.076 0.000 1.052 185 K CA 0.656 56.927 56.287 -0.027 0.000 0.961 185 K CB -0.418 32.090 32.500 0.014 0.000 0.741 185 K HN 0.204 nan 8.250 nan 0.000 0.452 186 N N 1.606 120.273 118.700 -0.055 0.000 2.223 186 N HA -0.071 4.669 4.740 -0.000 0.000 0.185 186 N C 1.628 177.078 175.510 -0.099 0.000 1.016 186 N CA 0.940 53.955 53.050 -0.058 0.000 0.863 186 N CB -0.001 38.470 38.487 -0.027 0.000 0.983 186 N HN 0.162 nan 8.380 nan 0.000 0.429 187 I N -0.486 120.001 120.570 -0.138 0.000 2.429 187 I HA -0.102 4.068 4.170 -0.000 0.000 0.247 187 I C 2.004 177.921 176.117 -0.333 0.000 1.099 187 I CA 0.410 61.603 61.300 -0.178 0.000 1.422 187 I CB -0.407 37.514 38.000 -0.131 0.000 1.112 187 I HN 0.106 nan 8.210 nan 0.000 0.430 188 N N 1.102 119.489 118.700 -0.521 0.000 2.061 188 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 188 N C 1.723 177.003 175.510 -0.384 0.000 1.030 188 N CA 2.484 55.077 53.050 -0.761 0.000 0.856 188 N CB -0.250 37.851 38.487 -0.644 0.000 1.023 188 N HN 0.199 nan 8.380 nan 0.000 0.424 189 T N 0.173 114.591 114.554 -0.228 0.000 2.809 189 T HA 0.040 4.390 4.350 -0.000 0.000 0.260 189 T C 1.074 175.704 174.700 -0.116 0.000 1.039 189 T CA 0.906 62.923 62.100 -0.139 0.000 1.141 189 T CB -0.219 68.595 68.868 -0.090 0.000 0.869 189 T HN 0.296 nan 8.240 nan 0.000 0.437 190 N N 1.823 120.458 118.700 -0.108 0.000 2.362 190 N HA 0.093 4.833 4.740 -0.000 0.000 0.204 190 N C 1.151 176.610 175.510 -0.084 0.000 1.166 190 N CA -0.020 52.983 53.050 -0.078 0.000 0.831 190 N CB -0.119 38.334 38.487 -0.057 0.000 1.008 190 N HN 0.257 nan 8.380 nan 0.000 0.472 191 N N 1.742 120.368 118.700 -0.123 0.000 2.223 191 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 191 N C 0.717 176.187 175.510 -0.066 0.000 1.016 191 N CA 1.028 54.008 53.050 -0.116 0.000 0.863 191 N CB -0.091 38.280 38.487 -0.195 0.000 0.983 191 N HN 0.231 nan 8.380 nan 0.000 0.429 192 A N -1.226 121.558 122.820 -0.060 0.000 2.771 192 A HA -0.258 4.062 4.320 -0.000 0.000 0.294 192 A C 0.289 177.856 177.584 -0.028 0.000 1.500 192 A CA 1.699 53.714 52.037 -0.037 0.000 0.829 192 A CB -1.932 17.053 19.000 -0.024 0.000 0.998 192 A HN 0.635 nan 8.150 nan 0.000 0.526 193 Q N -3.614 116.163 119.800 -0.038 0.000 2.756 193 Q HA 0.478 4.818 4.340 -0.000 0.000 0.295 193 Q C 0.976 176.955 176.000 -0.036 0.000 0.903 193 Q CA -0.091 55.699 55.803 -0.022 0.000 0.768 193 Q CB 0.473 29.211 28.738 0.001 0.000 1.472 193 Q HN 0.735 nan 8.270 nan 0.000 0.416 194 G N 0.533 109.319 108.800 -0.024 0.000 2.572 194 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 194 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 194 G C -0.009 174.889 174.900 -0.004 0.000 1.246 194 G CA 0.396 45.476 45.100 -0.033 0.000 0.835 194 G HN 0.625 nan 8.290 nan 0.000 0.551 195 E N 0.950 121.123 120.200 -0.045 0.000 2.289 195 E HA 0.273 4.623 4.350 -0.000 0.000 0.278 195 E C -1.241 175.217 176.600 -0.236 0.000 1.032 195 E CA -0.659 55.650 56.400 -0.152 0.000 0.854 195 E CB 0.943 30.491 29.700 -0.255 0.000 1.046 195 E HN 0.491 nan 8.360 nan 0.000 0.409 196 Y N 0.708 120.682 120.300 -0.544 0.000 2.524 196 Y HA 0.640 5.190 4.550 -0.000 0.000 0.344 196 Y C -1.248 174.236 175.900 -0.694 0.000 1.012 196 Y CA -1.997 55.789 58.100 -0.523 0.000 1.068 196 Y CB 0.613 38.939 38.460 -0.223 0.000 1.249 196 Y HN 0.342 nan 8.280 nan 0.000 0.468 197 Y N 1.804 122.119 120.300 0.024 0.000 2.509 197 Y HA 0.399 4.948 4.550 -0.000 0.000 0.341 197 Y C 1.110 176.952 175.900 -0.097 0.000 1.038 197 Y CA -1.356 56.708 58.100 -0.061 0.000 1.089 197 Y CB 1.408 39.853 38.460 -0.025 0.000 1.241 197 Y HN 0.645 nan 8.280 nan 0.000 0.468 198 I N 1.454 122.030 120.570 0.010 0.000 2.315 198 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 198 I C 2.183 178.199 176.117 -0.169 0.000 1.125 198 I CA 2.372 63.573 61.300 -0.165 0.000 1.392 198 I CB -0.707 37.163 38.000 -0.216 0.000 1.065 198 I HN 0.876 nan 8.210 nan 0.000 0.424 199 T N -3.342 111.199 114.554 -0.022 0.000 3.072 199 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 199 T C 1.546 176.247 174.700 0.003 0.000 1.127 199 T CA 0.996 63.101 62.100 0.007 0.000 1.107 199 T CB -0.531 68.385 68.868 0.081 0.000 0.910 199 T HN 0.278 nan 8.240 nan 0.000 0.513 200 D N 1.074 121.483 120.400 0.015 0.000 2.224 200 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 200 D C 2.119 178.344 176.300 -0.126 0.000 0.965 200 D CA 0.385 54.383 54.000 -0.003 0.000 0.852 200 D CB -0.174 40.660 40.800 0.056 0.000 0.947 200 D HN 0.319 nan 8.370 nan 0.000 0.494 201 V N 1.336 121.111 119.914 -0.231 0.000 2.515 201 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 201 V C 2.256 177.992 176.094 -0.596 0.000 1.058 201 V CA 0.807 62.820 62.300 -0.479 0.000 1.064 201 V CB -0.143 31.304 31.823 -0.628 0.000 0.675 201 V HN 0.198 nan 8.190 nan 0.000 0.461 202 I N 1.095 121.529 120.570 -0.227 0.000 2.394 202 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 202 I C 2.596 178.693 176.117 -0.034 0.000 1.136 202 I CA 1.753 63.024 61.300 -0.049 0.000 1.425 202 I CB -1.896 36.172 38.000 0.112 0.000 1.079 202 I HN 0.370 nan 8.210 nan 0.000 0.425 203 G N 1.498 110.264 108.800 -0.056 0.000 2.422 203 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 203 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 203 G C 1.629 176.519 174.900 -0.016 0.000 1.146 203 G CA 0.241 45.335 45.100 -0.010 0.000 0.769 203 G HN 0.187 nan 8.290 nan 0.000 0.547 204 I N 0.664 121.168 120.570 -0.109 0.000 2.252 204 I HA -0.017 4.153 4.170 -0.000 0.000 0.245 204 I C 2.380 178.567 176.117 0.117 0.000 1.102 204 I CA 0.594 61.859 61.300 -0.057 0.000 1.385 204 I CB -1.234 36.669 38.000 -0.161 0.000 1.064 204 I HN 0.059 nan 8.210 nan 0.000 0.414 205 F N 1.171 121.163 119.950 0.071 0.000 2.333 205 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 205 F C 2.622 178.464 175.800 0.070 0.000 1.083 205 F CA 0.734 58.782 58.000 0.080 0.000 1.395 205 F CB -1.135 37.932 39.000 0.111 0.000 1.056 205 F HN 0.092 nan 8.300 nan 0.000 0.529 206 R N 1.050 121.691 120.500 0.235 0.000 2.062 206 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 206 R C 1.913 178.285 176.300 0.119 0.000 1.128 206 R CA 1.562 57.754 56.100 0.153 0.000 0.960 206 R CB -0.728 29.638 30.300 0.111 0.000 0.855 206 R HN 0.284 nan 8.270 nan 0.000 0.432 207 E N -0.702 119.561 120.200 0.105 0.000 2.118 207 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 207 E C 1.339 177.992 176.600 0.088 0.000 0.992 207 E CA 1.869 58.317 56.400 0.081 0.000 0.804 207 E CB -0.032 29.706 29.700 0.064 0.000 0.741 207 E HN 0.632 nan 8.360 nan 0.000 0.458 208 T N -3.818 110.809 114.554 0.122 0.000 3.060 208 T HA 0.242 4.592 4.350 -0.000 0.000 0.249 208 T C 1.494 176.250 174.700 0.092 0.000 1.079 208 T CA 0.499 62.664 62.100 0.109 0.000 1.013 208 T CB 0.728 69.680 68.868 0.138 0.000 0.975 208 T HN 0.261 nan 8.240 nan 0.000 0.518 209 G N 1.505 110.368 108.800 0.105 0.000 2.162 209 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.260 209 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.260 209 G C -0.234 174.703 174.900 0.061 0.000 0.976 209 G CA 0.116 45.264 45.100 0.080 0.000 0.655 209 G HN 0.683 nan 8.290 nan 0.000 0.533 210 E N 0.588 120.821 120.200 0.056 0.000 2.384 210 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 210 E C 0.643 177.228 176.600 -0.025 0.000 1.012 210 E CA -0.226 56.149 56.400 -0.041 0.000 0.901 210 E CB 0.719 30.294 29.700 -0.208 0.000 0.967 210 E HN 0.314 nan 8.360 nan 0.000 0.435 211 K N 2.685 123.064 120.400 -0.035 0.000 2.453 211 K HA 0.010 4.330 4.320 -0.000 0.000 0.280 211 K C -0.600 176.017 176.600 0.030 0.000 1.045 211 K CA -0.080 56.211 56.287 0.006 0.000 1.059 211 K CB 0.136 32.632 32.500 -0.005 0.000 0.901 211 K HN 0.334 nan 8.250 nan 0.000 0.475 212 V N 1.359 121.332 119.914 0.098 0.000 2.531 212 V HA 0.818 4.938 4.120 -0.000 0.000 0.301 212 V C 0.037 176.221 176.094 0.149 0.000 1.034 212 V CA -0.694 61.699 62.300 0.155 0.000 0.865 212 V CB 1.601 33.560 31.823 0.227 0.000 0.995 212 V HN 0.775 nan 8.190 nan 0.000 0.424 213 G N 2.413 111.317 108.800 0.175 0.000 2.600 213 G HA2 0.913 4.873 3.960 -0.000 0.000 0.303 213 G HA3 0.913 4.873 3.960 -0.000 0.000 0.303 213 G C -0.904 174.114 174.900 0.197 0.000 1.253 213 G CA -0.555 44.671 45.100 0.211 0.000 0.974 213 G HN 1.639 nan 8.290 nan 0.000 0.483 214 A N -0.349 122.559 122.820 0.146 0.000 2.359 214 A HA 0.618 4.938 4.320 -0.000 0.000 0.303 214 A C -1.746 175.623 177.584 -0.358 0.000 1.066 214 A CA -0.585 51.422 52.037 -0.049 0.000 0.730 214 A CB 1.426 20.397 19.000 -0.048 0.000 1.211 214 A HN 0.969 nan 8.150 nan 0.000 0.439 215 Y N 2.265 122.169 120.300 -0.660 0.000 2.326 215 Y HA 0.564 5.114 4.550 -0.000 0.000 0.337 215 Y C 0.075 175.695 175.900 -0.466 0.000 1.023 215 Y CA -0.433 57.085 58.100 -0.969 0.000 1.143 215 Y CB 1.260 39.191 38.460 -0.881 0.000 1.183 215 Y HN 0.609 nan 8.280 nan 0.000 0.485 216 T N 7.339 121.328 114.554 -0.941 0.000 2.837 216 T HA 0.412 4.762 4.350 -0.000 0.000 0.285 216 T C -0.152 174.027 174.700 -0.868 0.000 0.984 216 T CA -0.658 61.028 62.100 -0.690 0.000 1.049 216 T CB 0.729 69.359 68.868 -0.397 0.000 0.947 216 T HN 0.568 nan 8.240 nan 0.000 0.472 217 L N 3.984 124.887 121.223 -0.534 0.000 2.319 217 L HA 0.260 4.600 4.340 -0.000 0.000 0.280 217 L C 1.868 178.595 176.870 -0.239 0.000 1.099 217 L CA -0.550 54.064 54.840 -0.376 0.000 0.828 217 L CB 1.003 42.925 42.059 -0.228 0.000 1.150 217 L HN 0.816 nan 8.230 nan 0.000 0.442 218 K N 0.833 121.120 120.400 -0.190 0.000 2.209 218 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 218 K C 0.183 176.740 176.600 -0.072 0.000 1.048 218 K CA 0.930 57.147 56.287 -0.116 0.000 0.940 218 K CB 0.071 32.523 32.500 -0.081 0.000 0.729 218 K HN 0.382 nan 8.250 nan 0.000 0.451 219 D N 0.107 120.465 120.400 -0.070 0.000 2.427 219 D HA 0.063 4.703 4.640 -0.000 0.000 0.226 219 D C 0.013 176.296 176.300 -0.027 0.000 1.076 219 D CA -0.922 53.054 54.000 -0.040 0.000 0.849 219 D CB 0.630 41.394 40.800 -0.061 0.000 1.052 219 D HN 0.110 nan 8.370 nan 0.000 0.515 220 F N 3.318 123.198 119.950 -0.117 0.000 2.216 220 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 220 F C 1.401 177.145 175.800 -0.092 0.000 1.085 220 F CA 1.396 59.322 58.000 -0.124 0.000 1.326 220 F CB 0.255 39.175 39.000 -0.135 0.000 1.027 220 F HN 0.339 nan 8.300 nan 0.000 0.497 221 D N 0.249 120.541 120.400 -0.181 0.000 2.310 221 D HA -0.186 4.454 4.640 -0.000 0.000 0.212 221 D C 1.960 178.107 176.300 -0.254 0.000 0.965 221 D CA 0.974 54.828 54.000 -0.244 0.000 0.879 221 D CB -0.375 40.383 40.800 -0.072 0.000 0.921 221 D HN 0.570 nan 8.370 nan 0.000 0.510 222 E N 0.704 120.774 120.200 -0.218 0.000 2.347 222 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 222 E C 1.557 178.032 176.600 -0.210 0.000 1.008 222 E CA 0.610 56.904 56.400 -0.178 0.000 0.852 222 E CB 0.221 29.841 29.700 -0.133 0.000 0.783 222 E HN 0.160 nan 8.360 nan 0.000 0.505 223 S N -0.009 115.505 115.700 -0.310 0.000 2.575 223 S HA 0.019 4.489 4.470 -0.000 0.000 0.215 223 S C 0.699 175.146 174.600 -0.254 0.000 0.966 223 S CA -0.523 57.509 58.200 -0.280 0.000 0.911 223 S CB -0.187 62.826 63.200 -0.312 0.000 0.780 223 S HN 0.219 nan 8.310 nan 0.000 0.514 224 L N 3.158 124.217 121.223 -0.275 0.000 2.706 224 L HA 0.300 4.640 4.340 -0.000 0.000 0.282 224 L C 0.604 177.401 176.870 -0.121 0.000 1.219 224 L CA 0.737 55.462 54.840 -0.191 0.000 0.935 224 L CB -0.245 41.719 42.059 -0.158 0.000 1.204 224 L HN 0.311 nan 8.230 nan 0.000 0.491 225 G N 5.398 114.142 108.800 -0.094 0.000 2.329 225 G HA2 0.500 4.460 3.960 -0.000 0.000 0.309 225 G HA3 0.500 4.460 3.960 -0.000 0.000 0.309 225 G C -0.748 174.110 174.900 -0.070 0.000 1.110 225 G CA -0.579 44.476 45.100 -0.076 0.000 0.923 225 G HN 0.547 nan 8.290 nan 0.000 0.430 226 V N 3.560 123.439 119.914 -0.060 0.000 2.488 226 V HA 0.173 4.293 4.120 -0.000 0.000 0.277 226 V C 0.387 176.447 176.094 -0.056 0.000 1.046 226 V CA -0.409 61.857 62.300 -0.057 0.000 0.986 226 V CB 1.284 33.077 31.823 -0.050 0.000 0.989 226 V HN 0.798 nan 8.190 nan 0.000 0.475 227 N N 2.088 120.751 118.700 -0.061 0.000 2.325 227 N HA 0.108 4.848 4.740 -0.000 0.000 0.220 227 N C -0.132 175.337 175.510 -0.069 0.000 1.176 227 N CA 0.135 53.149 53.050 -0.060 0.000 0.861 227 N CB 1.130 39.581 38.487 -0.060 0.000 1.230 227 N HN 0.903 nan 8.380 nan 0.000 0.479 228 D N -1.407 118.951 120.400 -0.071 0.000 2.610 228 D HA 0.289 4.929 4.640 -0.000 0.000 0.271 228 D C 0.432 176.683 176.300 -0.083 0.000 1.174 228 D CA -0.577 53.377 54.000 -0.077 0.000 0.949 228 D CB 0.944 41.714 40.800 -0.051 0.000 1.430 228 D HN -0.270 nan 8.370 nan 0.000 0.467 229 R N -0.330 120.122 120.500 -0.080 0.000 2.285 229 R HA 0.069 4.409 4.340 -0.000 0.000 0.213 229 R C 1.573 177.851 176.300 -0.037 0.000 1.068 229 R CA 0.504 56.563 56.100 -0.068 0.000 1.004 229 R CB -0.302 29.963 30.300 -0.058 0.000 0.873 229 R HN 0.264 nan 8.270 nan 0.000 0.467 230 V N 0.478 120.373 119.914 -0.030 0.000 2.346 230 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 230 V C 2.335 178.419 176.094 -0.017 0.000 1.037 230 V CA 1.951 64.242 62.300 -0.016 0.000 1.029 230 V CB -0.487 31.331 31.823 -0.009 0.000 0.663 230 V HN 0.365 nan 8.190 nan 0.000 0.454 231 A N -0.511 122.292 122.820 -0.027 0.000 2.014 231 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 231 A C 2.237 179.800 177.584 -0.035 0.000 1.163 231 A CA 1.165 53.183 52.037 -0.031 0.000 0.652 231 A CB -0.439 18.537 19.000 -0.041 0.000 0.808 231 A HN 0.426 nan 8.150 nan 0.000 0.449 232 L N -0.454 120.746 121.223 -0.039 0.000 1.989 232 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 232 L C 2.878 179.741 176.870 -0.012 0.000 1.071 232 L CA 2.049 56.871 54.840 -0.031 0.000 0.749 232 L CB -0.776 41.257 42.059 -0.042 0.000 0.890 232 L HN 0.446 nan 8.230 nan 0.000 0.431 233 A N -1.004 121.812 122.820 -0.006 0.000 1.902 233 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 233 A C 2.171 179.759 177.584 0.006 0.000 1.181 233 A CA 2.248 54.289 52.037 0.008 0.000 0.623 233 A CB -0.939 18.067 19.000 0.011 0.000 0.818 233 A HN 0.502 nan 8.150 nan 0.000 0.443 234 T N 0.335 114.886 114.554 -0.005 0.000 2.788 234 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 234 T C 2.192 176.876 174.700 -0.027 0.000 1.044 234 T CA 1.526 63.619 62.100 -0.011 0.000 1.139 234 T CB -0.432 68.427 68.868 -0.015 0.000 0.867 234 T HN 0.609 nan 8.240 nan 0.000 0.454 235 A N 1.514 124.312 122.820 -0.037 0.000 1.877 235 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 235 A C 2.207 179.762 177.584 -0.048 0.000 1.186 235 A CA 2.054 54.055 52.037 -0.060 0.000 0.620 235 A CB -0.718 18.244 19.000 -0.063 0.000 0.822 235 A HN 0.483 nan 8.150 nan 0.000 0.443 236 E N 0.146 120.339 120.200 -0.012 0.000 2.070 236 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 236 E C 2.214 178.828 176.600 0.024 0.000 1.004 236 E CA 1.751 58.163 56.400 0.020 0.000 0.805 236 E CB -0.403 29.326 29.700 0.049 0.000 0.744 236 E HN 0.520 nan 8.360 nan 0.000 0.451 237 S N -1.162 114.550 115.700 0.020 0.000 2.368 237 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 237 S C 1.998 176.589 174.600 -0.014 0.000 1.030 237 S CA 1.371 59.581 58.200 0.018 0.000 0.999 237 S CB -0.372 62.838 63.200 0.017 0.000 0.844 237 S HN 0.200 nan 8.310 nan 0.000 0.459 238 V N 1.440 121.333 119.914 -0.036 0.000 2.358 238 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 238 V C 2.521 178.577 176.094 -0.063 0.000 1.047 238 V CA 2.068 64.333 62.300 -0.057 0.000 1.035 238 V CB -0.605 31.172 31.823 -0.076 0.000 0.658 238 V HN 0.528 nan 8.190 nan 0.000 0.452 239 M N 0.212 119.771 119.600 -0.068 0.000 2.175 239 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 239 M C 2.185 178.471 176.300 -0.023 0.000 1.063 239 M CA 1.799 57.058 55.300 -0.069 0.000 1.119 239 M CB -0.682 31.852 32.600 -0.111 0.000 1.377 239 M HN 0.229 nan 8.290 nan 0.000 0.415 240 R N -0.583 119.914 120.500 -0.005 0.000 2.081 240 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 240 R C 2.447 178.723 176.300 -0.040 0.000 1.131 240 R CA 1.892 57.995 56.100 0.004 0.000 0.960 240 R CB -0.398 29.914 30.300 0.020 0.000 0.856 240 R HN 0.412 nan 8.270 nan 0.000 0.436 241 R N 0.343 120.812 120.500 -0.053 0.000 2.096 241 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 241 R C 2.515 178.780 176.300 -0.059 0.000 1.127 241 R CA 1.664 57.721 56.100 -0.072 0.000 0.968 241 R CB -0.223 30.037 30.300 -0.066 0.000 0.861 241 R HN 0.207 nan 8.270 nan 0.000 0.440 242 R N 0.459 120.928 120.500 -0.053 0.000 2.066 242 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 242 R C 2.192 178.473 176.300 -0.031 0.000 1.131 242 R CA 1.687 57.762 56.100 -0.042 0.000 0.955 242 R CB -0.305 29.961 30.300 -0.057 0.000 0.851 242 R HN 0.255 nan 8.270 nan 0.000 0.432 243 I N 1.537 122.086 120.570 -0.035 0.000 2.179 243 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 243 I C 1.717 177.785 176.117 -0.081 0.000 1.088 243 I CA 1.335 62.607 61.300 -0.047 0.000 1.357 243 I CB -0.345 37.687 38.000 0.054 0.000 1.051 243 I HN 0.243 nan 8.210 nan 0.000 0.409 244 N N -0.285 118.371 118.700 -0.073 0.000 2.188 244 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 244 N C 1.774 177.067 175.510 -0.362 0.000 1.018 244 N CA 1.190 54.060 53.050 -0.299 0.000 0.858 244 N CB -0.585 37.590 38.487 -0.519 0.000 0.989 244 N HN 0.457 nan 8.380 nan 0.000 0.426 245 H N 1.393 120.301 119.070 -0.269 0.000 2.321 245 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 245 H C 2.043 177.276 175.328 -0.159 0.000 1.087 245 H CA 1.749 57.675 56.048 -0.204 0.000 1.319 245 H CB 0.133 29.808 29.762 -0.144 0.000 1.379 245 H HN -0.056 nan 8.280 nan 0.000 0.501 246 K N 0.090 120.414 120.400 -0.126 0.000 2.032 246 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 246 K C 1.864 178.337 176.600 -0.211 0.000 1.048 246 K CA 1.849 58.029 56.287 -0.179 0.000 0.927 246 K CB -0.466 31.916 32.500 -0.196 0.000 0.712 246 K HN 0.551 nan 8.250 nan 0.000 0.441 247 H N 0.589 119.641 119.070 -0.030 0.000 2.321 247 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 247 H C 2.347 177.702 175.328 0.046 0.000 1.087 247 H CA 1.756 57.846 56.048 0.069 0.000 1.319 247 H CB -0.279 29.645 29.762 0.271 0.000 1.379 247 H HN 0.248 nan 8.280 nan 0.000 0.501 248 M N 0.038 119.663 119.600 0.041 0.000 2.080 248 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 248 M C 2.567 178.821 176.300 -0.077 0.000 1.068 248 M CA 1.222 56.518 55.300 -0.007 0.000 1.109 248 M CB -0.302 32.201 32.600 -0.162 0.000 1.342 248 M HN 0.001 nan 8.290 nan 0.000 0.405 249 V N 0.537 120.326 119.914 -0.207 0.000 2.469 249 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 249 V C 1.741 177.800 176.094 -0.059 0.000 1.064 249 V CA 1.716 63.917 62.300 -0.166 0.000 1.066 249 V CB -0.927 30.770 31.823 -0.210 0.000 0.667 249 V HN 0.579 nan 8.190 nan 0.000 0.461 250 N N -0.252 118.436 118.700 -0.021 0.000 2.434 250 N HA 0.074 4.814 4.740 -0.000 0.000 0.196 250 N C 1.235 176.772 175.510 0.045 0.000 1.183 250 N CA 0.615 53.679 53.050 0.023 0.000 0.849 250 N CB 0.233 38.754 38.487 0.055 0.000 0.992 250 N HN 0.584 nan 8.380 nan 0.000 0.460 251 G N 0.176 108.999 108.800 0.038 0.000 2.131 251 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.223 251 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.223 251 G C -0.265 174.670 174.900 0.058 0.000 0.990 251 G CA -0.087 45.036 45.100 0.039 0.000 0.671 251 G HN 0.175 nan 8.290 nan 0.000 0.521 252 V N 0.981 120.963 119.914 0.114 0.000 2.435 252 V HA 0.672 4.792 4.120 -0.000 0.000 0.290 252 V C 0.627 176.832 176.094 0.185 0.000 1.030 252 V CA -0.348 62.021 62.300 0.116 0.000 0.881 252 V CB 1.839 33.757 31.823 0.158 0.000 0.983 252 V HN 0.304 nan 8.190 nan 0.000 0.445 253 S N 4.573 120.307 115.700 0.057 0.000 2.499 253 S HA 0.661 5.131 4.470 -0.000 0.000 0.279 253 S C -0.801 173.804 174.600 0.008 0.000 1.219 253 S CA -0.180 58.073 58.200 0.088 0.000 1.062 253 S CB 0.257 63.465 63.200 0.014 0.000 0.978 253 S HN 0.437 nan 8.310 nan 0.000 0.489 254 F N 2.202 122.132 119.950 -0.032 0.000 2.449 254 F HA 0.339 4.866 4.527 -0.000 0.000 0.342 254 F C 1.056 176.837 175.800 -0.033 0.000 1.127 254 F CA -0.866 57.111 58.000 -0.039 0.000 0.975 254 F CB 1.178 40.154 39.000 -0.041 0.000 1.146 254 F HN 0.335 nan 8.300 nan 0.000 0.444 255 V N 1.811 121.776 119.914 0.085 0.000 2.407 255 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 255 V C 0.611 176.752 176.094 0.078 0.000 1.055 255 V CA 1.648 63.983 62.300 0.058 0.000 1.049 255 V CB -0.464 31.371 31.823 0.020 0.000 0.662 255 V HN 0.731 nan 8.190 nan 0.000 0.455 256 N N -0.537 118.224 118.700 0.102 0.000 2.685 256 N HA 0.200 4.940 4.740 -0.000 0.000 0.252 256 N C -2.086 173.471 175.510 0.079 0.000 1.261 256 N CA -1.537 51.555 53.050 0.070 0.000 0.768 256 N CB 1.628 40.137 38.487 0.037 0.000 1.304 256 N HN 0.028 nan 8.380 nan 0.000 0.536 257 P HA -0.057 nan 4.420 nan 0.000 0.228 257 P C 0.457 177.688 177.300 -0.115 0.000 1.151 257 P CA 0.855 63.914 63.100 -0.068 0.000 0.770 257 P CB 0.627 32.112 31.700 -0.358 0.000 0.786 258 E N -0.309 119.846 120.200 -0.074 0.000 2.435 258 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 258 E C 1.153 177.691 176.600 -0.103 0.000 1.029 258 E CA 0.375 56.732 56.400 -0.071 0.000 0.865 258 E CB 0.110 29.794 29.700 -0.026 0.000 0.833 258 E HN 0.239 nan 8.360 nan 0.000 0.510 259 A N 0.640 123.363 122.820 -0.161 0.000 2.663 259 A HA 0.274 4.594 4.320 -0.000 0.000 0.273 259 A C -0.124 177.098 177.584 -0.604 0.000 0.932 259 A CA -0.339 51.548 52.037 -0.250 0.000 1.055 259 A CB 0.390 19.406 19.000 0.027 0.000 1.206 259 A HN -0.086 nan 8.150 nan 0.000 0.485 260 T N 0.600 114.698 114.554 -0.760 0.000 2.841 260 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 260 T C -1.292 172.960 174.700 -0.746 0.000 0.991 260 T CA -0.051 61.723 62.100 -0.543 0.000 0.966 260 T CB 0.520 69.391 68.868 0.005 0.000 0.962 260 T HN 0.236 nan 8.240 nan 0.000 0.438 261 Y N 3.195 123.522 120.300 0.045 0.000 2.593 261 Y HA 0.573 5.123 4.550 -0.000 0.000 0.331 261 Y C 0.164 176.070 175.900 0.009 0.000 0.986 261 Y CA -1.081 57.032 58.100 0.022 0.000 1.262 261 Y CB 0.113 38.559 38.460 -0.023 0.000 1.098 261 Y HN 0.461 nan 8.280 nan 0.000 0.506 262 I N 3.571 124.216 120.570 0.124 0.000 2.389 262 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 262 I C -0.435 175.760 176.117 0.130 0.000 0.999 262 I CA -0.911 60.456 61.300 0.112 0.000 1.129 262 I CB 1.209 39.298 38.000 0.148 0.000 1.288 262 I HN 0.468 nan 8.210 nan 0.000 0.444 263 D N 3.892 124.352 120.400 0.100 0.000 2.378 263 D HA -0.010 4.630 4.640 -0.000 0.000 0.238 263 D C 1.127 177.504 176.300 0.129 0.000 1.180 263 D CA -0.002 54.062 54.000 0.105 0.000 0.895 263 D CB 1.037 41.881 40.800 0.074 0.000 1.192 263 D HN 0.422 nan 8.370 nan 0.000 0.438 264 I N 1.015 121.662 120.570 0.128 0.000 2.185 264 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 264 I C 1.071 177.250 176.117 0.104 0.000 1.088 264 I CA 1.798 63.176 61.300 0.129 0.000 1.347 264 I CB 0.044 38.129 38.000 0.140 0.000 1.041 264 I HN 0.245 nan 8.210 nan 0.000 0.415 265 D N -0.157 120.293 120.400 0.083 0.000 2.340 265 D HA 0.162 4.802 4.640 -0.000 0.000 0.217 265 D C 0.267 176.617 176.300 0.084 0.000 1.081 265 D CA 0.098 54.142 54.000 0.073 0.000 0.842 265 D CB 0.058 40.886 40.800 0.046 0.000 0.934 265 D HN 0.087 nan 8.370 nan 0.000 0.511 266 V N 1.553 121.532 119.914 0.107 0.000 2.637 266 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 266 V C 0.704 176.873 176.094 0.124 0.000 1.046 266 V CA 0.042 62.395 62.300 0.088 0.000 1.066 266 V CB 1.008 32.866 31.823 0.058 0.000 0.968 266 V HN -0.007 nan 8.190 nan 0.000 0.483 267 E N 4.973 125.217 120.200 0.073 0.000 2.179 267 E HA 0.659 5.009 4.350 -0.000 0.000 0.275 267 E C -1.055 175.559 176.600 0.022 0.000 0.945 267 E CA -0.527 55.925 56.400 0.088 0.000 0.792 267 E CB 2.245 31.982 29.700 0.061 0.000 1.125 267 E HN 0.520 nan 8.360 nan 0.000 0.397 268 I N 2.063 122.650 120.570 0.029 0.000 2.512 268 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 268 I C -0.055 176.070 176.117 0.014 0.000 1.069 268 I CA -0.889 60.381 61.300 -0.050 0.000 1.056 268 I CB 1.808 39.669 38.000 -0.231 0.000 1.229 268 I HN 0.531 nan 8.210 nan 0.000 0.429 269 A N 7.531 130.348 122.820 -0.005 0.000 2.386 269 A HA 0.608 4.928 4.320 -0.000 0.000 0.246 269 A C -2.472 175.118 177.584 0.010 0.000 1.089 269 A CA -0.911 51.131 52.037 0.009 0.000 0.790 269 A CB -0.332 18.666 19.000 -0.003 0.000 1.042 269 A HN 0.407 nan 8.150 nan 0.000 0.497 270 P HA 0.236 nan 4.420 nan 0.000 0.274 270 P C -0.005 177.294 177.300 -0.001 0.000 1.246 270 P CA 0.024 63.135 63.100 0.018 0.000 0.795 270 P CB 0.370 32.081 31.700 0.019 0.000 1.006 271 E N -3.166 117.033 120.200 -0.001 0.000 3.916 271 E HA -0.164 4.186 4.350 -0.000 0.000 0.331 271 E C -0.264 176.316 176.600 -0.034 0.000 0.729 271 E CA 0.251 56.643 56.400 -0.014 0.000 1.222 271 E CB -1.696 27.997 29.700 -0.012 0.000 1.633 271 E HN 0.164 nan 8.360 nan 0.000 0.437 272 V N 1.214 121.099 119.914 -0.048 0.000 2.811 272 V HA 0.019 4.139 4.120 -0.000 0.000 0.302 272 V C 0.628 176.653 176.094 -0.116 0.000 1.063 272 V CA 0.849 63.097 62.300 -0.086 0.000 1.088 272 V CB 1.323 33.078 31.823 -0.113 0.000 0.982 272 V HN 0.122 nan 8.190 nan 0.000 0.485 273 Q N 3.898 123.620 119.800 -0.130 0.000 2.333 273 Q HA 0.584 4.924 4.340 -0.000 0.000 0.268 273 Q C -1.180 174.695 176.000 -0.208 0.000 1.007 273 Q CA -0.316 55.399 55.803 -0.147 0.000 0.810 273 Q CB 2.114 30.796 28.738 -0.092 0.000 1.264 273 Q HN 0.627 nan 8.270 nan 0.000 0.452 274 I N 2.248 122.626 120.570 -0.321 0.000 2.389 274 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 274 I C 0.228 176.193 176.117 -0.253 0.000 0.999 274 I CA -0.577 60.503 61.300 -0.366 0.000 1.129 274 I CB 1.543 39.136 38.000 -0.679 0.000 1.288 274 I HN 0.477 nan 8.210 nan 0.000 0.444 275 E N 3.511 123.620 120.200 -0.152 0.000 2.376 275 E HA 0.491 4.841 4.350 -0.000 0.000 0.254 275 E C 0.171 176.736 176.600 -0.059 0.000 1.213 275 E CA -0.635 55.717 56.400 -0.080 0.000 0.945 275 E CB 0.916 30.584 29.700 -0.053 0.000 1.057 275 E HN 0.707 nan 8.360 nan 0.000 0.479 276 A N 1.550 124.362 122.820 -0.012 0.000 2.429 276 A HA -0.035 4.285 4.320 -0.000 0.000 0.242 276 A C 0.665 178.266 177.584 0.028 0.000 1.088 276 A CA 0.269 52.313 52.037 0.012 0.000 0.784 276 A CB -0.052 18.967 19.000 0.032 0.000 1.038 276 A HN 0.928 nan 8.150 nan 0.000 0.501 277 N N -1.353 117.388 118.700 0.068 0.000 2.725 277 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 277 N C -0.725 174.864 175.510 0.132 0.000 1.031 277 N CA 0.599 53.755 53.050 0.176 0.000 0.720 277 N CB -0.648 37.934 38.487 0.159 0.000 0.930 277 N HN 0.438 nan 8.380 nan 0.000 0.543 278 V N 1.969 121.925 119.914 0.071 0.000 2.547 278 V HA 0.551 4.671 4.120 -0.000 0.000 0.299 278 V C 0.568 176.686 176.094 0.041 0.000 1.040 278 V CA -0.508 61.804 62.300 0.020 0.000 0.913 278 V CB 2.014 33.797 31.823 -0.065 0.000 0.992 278 V HN 0.123 nan 8.190 nan 0.000 0.449 279 I N 5.622 126.160 120.570 -0.053 0.000 2.410 279 I HA 0.449 4.619 4.170 -0.000 0.000 0.286 279 I C -0.928 175.059 176.117 -0.216 0.000 1.009 279 I CA -0.342 60.844 61.300 -0.191 0.000 1.111 279 I CB 1.496 39.123 38.000 -0.621 0.000 1.262 279 I HN 0.288 nan 8.210 nan 0.000 0.443 280 L N 7.159 128.310 121.223 -0.120 0.000 2.319 280 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 280 L C -0.509 176.332 176.870 -0.048 0.000 1.005 280 L CA -0.600 54.193 54.840 -0.078 0.000 0.828 280 L CB 1.442 43.468 42.059 -0.056 0.000 1.227 280 L HN 0.526 nan 8.230 nan 0.000 0.415 281 K N 1.553 121.931 120.400 -0.036 0.000 2.328 281 K HA 0.805 5.125 4.320 -0.000 0.000 0.246 281 K C 0.477 177.097 176.600 0.032 0.000 0.955 281 K CA -0.238 56.051 56.287 0.004 0.000 0.817 281 K CB 2.238 34.743 32.500 0.009 0.000 1.208 281 K HN 0.646 nan 8.250 nan 0.000 0.432 282 G N 1.161 109.985 108.800 0.039 0.000 2.574 282 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.286 282 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.286 282 G C -0.405 174.516 174.900 0.036 0.000 1.212 282 G CA -0.141 44.982 45.100 0.039 0.000 0.979 282 G HN 0.476 nan 8.290 nan 0.000 0.557 283 Q N 1.858 121.677 119.800 0.032 0.000 3.184 283 Q HA 0.510 4.850 4.340 -0.000 0.000 0.288 283 Q C 0.275 176.290 176.000 0.025 0.000 1.412 283 Q CA 0.496 56.315 55.803 0.028 0.000 0.991 283 Q CB -0.298 28.454 28.738 0.023 0.000 1.688 283 Q HN 0.549 nan 8.270 nan 0.000 0.554 284 T N 1.420 115.988 114.554 0.024 0.000 2.859 284 T HA 0.552 4.902 4.350 -0.000 0.000 0.281 284 T C -0.299 174.406 174.700 0.008 0.000 1.005 284 T CA -0.683 61.425 62.100 0.014 0.000 1.025 284 T CB 1.138 70.011 68.868 0.008 0.000 0.977 284 T HN 0.152 nan 8.240 nan 0.000 0.458 285 K N 2.777 123.177 120.400 0.000 0.000 2.397 285 K HA 0.587 4.907 4.320 -0.000 0.000 0.253 285 K C -1.179 175.410 176.600 -0.019 0.000 0.932 285 K CA -0.967 55.317 56.287 -0.004 0.000 0.795 285 K CB 1.939 34.441 32.500 0.003 0.000 1.159 285 K HN 0.313 nan 8.250 nan 0.000 0.424 286 I N 2.064 122.615 120.570 -0.032 0.000 2.418 286 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 286 I C 0.770 176.865 176.117 -0.036 0.000 1.008 286 I CA -0.575 60.698 61.300 -0.045 0.000 1.104 286 I CB 1.033 38.984 38.000 -0.081 0.000 1.264 286 I HN 0.731 nan 8.210 nan 0.000 0.438 287 G N 3.854 112.636 108.800 -0.029 0.000 2.616 287 G HA2 0.525 4.485 3.960 -0.000 0.000 0.268 287 G HA3 0.525 4.485 3.960 -0.000 0.000 0.268 287 G C 0.029 174.913 174.900 -0.026 0.000 1.213 287 G CA -0.433 44.654 45.100 -0.022 0.000 0.926 287 G HN 0.801 nan 8.290 nan 0.000 0.523 288 A N -0.389 122.420 122.820 -0.018 0.000 2.540 288 A HA 0.392 4.712 4.320 -0.000 0.000 0.239 288 A C 1.015 178.585 177.584 -0.025 0.000 1.061 288 A CA 0.986 53.011 52.037 -0.019 0.000 0.758 288 A CB -0.304 18.690 19.000 -0.011 0.000 0.991 288 A HN 1.112 nan 8.150 nan 0.000 0.502 289 E N -0.690 119.492 120.200 -0.029 0.000 3.680 289 E HA -0.250 4.100 4.350 -0.000 0.000 0.309 289 E C 0.510 177.085 176.600 -0.041 0.000 0.793 289 E CA 1.140 57.520 56.400 -0.032 0.000 1.083 289 E CB -2.538 27.148 29.700 -0.024 0.000 1.548 289 E HN 1.084 nan 8.360 nan 0.000 0.456 290 T N -0.527 113.999 114.554 -0.047 0.000 2.860 290 T HA 0.394 4.744 4.350 -0.000 0.000 0.299 290 T C 0.205 174.864 174.700 -0.067 0.000 1.045 290 T CA -0.373 61.696 62.100 -0.051 0.000 1.071 290 T CB 1.493 70.332 68.868 -0.048 0.000 0.985 290 T HN 0.068 nan 8.240 nan 0.000 0.537 291 V N 4.566 124.441 119.914 -0.064 0.000 2.417 291 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 291 V C -0.107 175.938 176.094 -0.081 0.000 1.024 291 V CA -0.832 61.422 62.300 -0.075 0.000 0.861 291 V CB 1.328 33.115 31.823 -0.060 0.000 0.985 291 V HN 0.803 nan 8.190 nan 0.000 0.436 292 L N 5.216 126.378 121.223 -0.103 0.000 2.318 292 L HA 0.504 4.844 4.340 -0.000 0.000 0.277 292 L C 0.587 177.401 176.870 -0.093 0.000 1.008 292 L CA -0.352 54.429 54.840 -0.099 0.000 0.846 292 L CB 1.782 43.767 42.059 -0.123 0.000 1.220 292 L HN 0.783 nan 8.230 nan 0.000 0.423 293 T N -0.529 113.978 114.554 -0.077 0.000 2.899 293 T HA 0.156 4.506 4.350 -0.000 0.000 0.284 293 T C 0.308 174.977 174.700 -0.052 0.000 1.004 293 T CA -0.656 61.403 62.100 -0.068 0.000 1.043 293 T CB 0.970 69.795 68.868 -0.072 0.000 1.013 293 T HN 0.560 nan 8.240 nan 0.000 0.518 294 N N 0.542 119.222 118.700 -0.034 0.000 2.223 294 N HA 0.228 4.968 4.740 -0.000 0.000 0.271 294 N C 1.465 176.978 175.510 0.005 0.000 1.315 294 N CA 1.700 54.748 53.050 -0.003 0.000 0.835 294 N CB -0.497 37.997 38.487 0.011 0.000 1.066 294 N HN 1.136 nan 8.380 nan 0.000 0.486 295 G N 1.452 110.276 108.800 0.039 0.000 2.254 295 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.225 295 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.225 295 G C 0.370 175.314 174.900 0.074 0.000 1.003 295 G CA 0.121 45.261 45.100 0.065 0.000 0.622 295 G HN 0.690 nan 8.290 nan 0.000 0.507 296 T N 0.947 115.519 114.554 0.029 0.000 2.933 296 T HA 0.352 4.702 4.350 -0.000 0.000 0.306 296 T C -0.690 174.072 174.700 0.104 0.000 1.045 296 T CA 0.996 63.121 62.100 0.041 0.000 1.143 296 T CB 0.752 69.614 68.868 -0.011 0.000 1.003 296 T HN 0.507 nan 8.240 nan 0.000 0.540 297 Y N 3.425 123.720 120.300 -0.008 0.000 2.322 297 Y HA 0.502 5.052 4.550 -0.000 0.000 0.324 297 Y C -1.137 174.768 175.900 0.008 0.000 1.027 297 Y CA -1.023 57.081 58.100 0.007 0.000 1.179 297 Y CB 1.026 39.485 38.460 -0.002 0.000 1.136 297 Y HN 0.383 nan 8.280 nan 0.000 0.449 298 V N 6.499 126.500 119.914 0.144 0.000 2.540 298 V HA 0.686 4.806 4.120 -0.000 0.000 0.302 298 V C -0.942 175.221 176.094 0.116 0.000 1.035 298 V CA -0.930 61.445 62.300 0.125 0.000 0.873 298 V CB 1.735 33.581 31.823 0.039 0.000 0.992 298 V HN 0.490 nan 8.190 nan 0.000 0.428 299 V N 2.836 122.836 119.914 0.143 0.000 2.577 299 V HA 0.468 4.588 4.120 -0.000 0.000 0.303 299 V C -0.190 175.950 176.094 0.075 0.000 1.042 299 V CA -0.766 61.605 62.300 0.119 0.000 0.872 299 V CB 1.678 33.604 31.823 0.171 0.000 0.998 299 V HN 0.953 nan 8.190 nan 0.000 0.423 300 D N 2.526 122.958 120.400 0.054 0.000 2.704 300 D HA -0.154 4.486 4.640 -0.000 0.000 0.232 300 D C 0.323 176.641 176.300 0.030 0.000 1.183 300 D CA 1.259 55.281 54.000 0.038 0.000 0.647 300 D CB -0.446 40.376 40.800 0.036 0.000 1.013 300 D HN 0.613 nan 8.370 nan 0.000 0.415 301 S N -0.947 114.769 115.700 0.027 0.000 2.632 301 S HA 0.660 5.130 4.470 -0.000 0.000 0.289 301 S C 0.024 174.629 174.600 0.009 0.000 1.115 301 S CA -0.715 57.496 58.200 0.018 0.000 0.889 301 S CB 2.649 65.862 63.200 0.022 0.000 1.116 301 S HN 0.041 nan 8.310 nan 0.000 0.486 302 T N 1.839 116.395 114.554 0.003 0.000 2.786 302 T HA 0.612 4.962 4.350 -0.000 0.000 0.283 302 T C -0.645 174.051 174.700 -0.007 0.000 0.992 302 T CA -0.255 61.844 62.100 -0.001 0.000 0.954 302 T CB 0.170 69.037 68.868 -0.001 0.000 0.934 302 T HN 0.380 nan 8.240 nan 0.000 0.440 303 I N 2.196 122.759 120.570 -0.012 0.000 2.474 303 I HA 0.538 4.708 4.170 -0.000 0.000 0.294 303 I C 1.125 177.231 176.117 -0.017 0.000 1.005 303 I CA -0.865 60.425 61.300 -0.017 0.000 1.113 303 I CB 1.919 39.905 38.000 -0.023 0.000 1.289 303 I HN 0.694 nan 8.210 nan 0.000 0.436 304 G N 3.347 112.138 108.800 -0.015 0.000 2.489 304 G HA2 0.593 4.553 3.960 -0.000 0.000 0.271 304 G HA3 0.593 4.553 3.960 -0.000 0.000 0.271 304 G C -0.271 174.618 174.900 -0.018 0.000 1.427 304 G CA -0.295 44.797 45.100 -0.014 0.000 1.057 304 G HN 0.753 nan 8.290 nan 0.000 0.532 305 A N -2.536 120.275 122.820 -0.015 0.000 2.279 305 A HA 0.612 4.932 4.320 -0.000 0.000 0.303 305 A C 1.364 178.938 177.584 -0.017 0.000 1.108 305 A CA 0.683 52.709 52.037 -0.017 0.000 0.830 305 A CB 0.296 19.288 19.000 -0.013 0.000 1.106 305 A HN 2.469 nan 8.150 nan 0.000 0.493 306 G N -1.010 107.777 108.800 -0.020 0.000 2.187 306 G HA2 0.131 4.091 3.960 -0.000 0.000 0.261 306 G HA3 0.131 4.091 3.960 -0.000 0.000 0.261 306 G C 0.554 175.442 174.900 -0.020 0.000 1.000 306 G CA 0.830 45.919 45.100 -0.019 0.000 0.718 306 G HN 2.025 nan 8.290 nan 0.000 0.519 307 A N -1.073 121.733 122.820 -0.023 0.000 2.271 307 A HA 0.817 5.137 4.320 -0.000 0.000 0.288 307 A C 0.067 177.634 177.584 -0.029 0.000 1.094 307 A CA 0.025 52.049 52.037 -0.022 0.000 0.828 307 A CB 1.692 20.678 19.000 -0.023 0.000 1.091 307 A HN 1.143 nan 8.150 nan 0.000 0.493 308 V N 2.988 122.886 119.914 -0.025 0.000 2.398 308 V HA 0.247 4.367 4.120 -0.000 0.000 0.282 308 V C -0.933 175.138 176.094 -0.038 0.000 1.014 308 V CA -0.314 61.966 62.300 -0.033 0.000 0.838 308 V CB 1.075 32.882 31.823 -0.026 0.000 1.018 308 V HN 0.649 nan 8.190 nan 0.000 0.432 309 I N 3.900 124.440 120.570 -0.050 0.000 2.306 309 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 309 I C 0.540 176.614 176.117 -0.071 0.000 1.036 309 I CA 0.087 61.354 61.300 -0.056 0.000 1.221 309 I CB 1.140 39.112 38.000 -0.047 0.000 1.385 309 I HN 0.456 nan 8.210 nan 0.000 0.472 310 T N 5.456 119.955 114.554 -0.091 0.000 2.733 310 T HA 0.165 4.515 4.350 -0.000 0.000 0.294 310 T C 0.756 175.348 174.700 -0.179 0.000 0.956 310 T CA -0.494 61.530 62.100 -0.127 0.000 0.987 310 T CB 0.015 68.801 68.868 -0.138 0.000 0.920 310 T HN 0.655 nan 8.240 nan 0.000 0.470 311 N N 2.670 121.271 118.700 -0.165 0.000 2.722 311 N HA -0.207 4.533 4.740 -0.000 0.000 0.274 311 N C -0.745 174.669 175.510 -0.161 0.000 0.987 311 N CA 0.191 53.132 53.050 -0.181 0.000 0.817 311 N CB -0.256 38.026 38.487 -0.342 0.000 0.921 311 N HN 0.473 nan 8.380 nan 0.000 0.565 312 S N 0.912 116.571 115.700 -0.068 0.000 2.627 312 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 312 S C -0.600 174.018 174.600 0.030 0.000 1.127 312 S CA -0.758 57.425 58.200 -0.028 0.000 0.863 312 S CB 1.981 65.154 63.200 -0.046 0.000 1.121 312 S HN 0.398 nan 8.310 nan 0.000 0.479 313 M N 2.762 122.385 119.600 0.038 0.000 2.167 313 M HA 0.610 5.090 4.480 -0.000 0.000 0.333 313 M C -1.981 174.414 176.300 0.158 0.000 1.030 313 M CA -0.413 54.925 55.300 0.062 0.000 0.963 313 M CB 0.345 32.848 32.600 -0.161 0.000 1.589 313 M HN 0.583 nan 8.290 nan 0.000 0.431 314 I N 4.507 125.163 120.570 0.143 0.000 2.447 314 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 314 I C -1.035 175.150 176.117 0.114 0.000 1.023 314 I CA -0.593 60.773 61.300 0.110 0.000 1.083 314 I CB 2.067 40.103 38.000 0.061 0.000 1.245 314 I HN 0.693 nan 8.210 nan 0.000 0.434 315 E N 5.057 125.310 120.200 0.089 0.000 2.234 315 E HA 0.352 4.702 4.350 -0.000 0.000 0.266 315 E C -0.907 175.713 176.600 0.033 0.000 0.877 315 E CA -0.832 55.613 56.400 0.075 0.000 0.758 315 E CB 1.704 31.454 29.700 0.084 0.000 1.170 315 E HN 0.447 nan 8.360 nan 0.000 0.415 316 E N 0.801 121.021 120.200 0.033 0.000 2.165 316 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 316 E C -0.815 175.786 176.600 0.002 0.000 1.335 316 E CA 0.561 56.970 56.400 0.015 0.000 0.708 316 E CB -0.843 28.863 29.700 0.009 0.000 1.105 316 E HN 0.301 nan 8.360 nan 0.000 0.346 317 S N -0.753 114.949 115.700 0.003 0.000 2.704 317 S HA 0.640 5.110 4.470 -0.000 0.000 0.296 317 S C -0.788 173.808 174.600 -0.006 0.000 1.138 317 S CA -0.583 57.612 58.200 -0.008 0.000 0.875 317 S CB 2.218 65.408 63.200 -0.017 0.000 1.151 317 S HN 0.168 nan 8.310 nan 0.000 0.500 318 S N 0.880 116.573 115.700 -0.012 0.000 2.502 318 S HA 0.723 5.193 4.470 -0.000 0.000 0.304 318 S C -1.511 173.081 174.600 -0.013 0.000 1.097 318 S CA -0.467 57.727 58.200 -0.010 0.000 1.045 318 S CB 0.672 63.867 63.200 -0.009 0.000 1.019 318 S HN 0.439 nan 8.310 nan 0.000 0.481 319 V N 4.331 124.238 119.914 -0.012 0.000 2.443 319 V HA 0.733 4.853 4.120 -0.000 0.000 0.293 319 V C 0.781 176.868 176.094 -0.011 0.000 1.021 319 V CA -0.611 61.680 62.300 -0.014 0.000 0.848 319 V CB 0.904 32.717 31.823 -0.017 0.000 0.998 319 V HN 1.133 nan 8.190 nan 0.000 0.424 320 A N 3.680 126.494 122.820 -0.009 0.000 2.281 320 A HA 0.437 4.757 4.320 -0.000 0.000 0.271 320 A C 0.105 177.685 177.584 -0.007 0.000 1.196 320 A CA -0.231 51.803 52.037 -0.006 0.000 0.807 320 A CB 0.048 19.046 19.000 -0.003 0.000 1.138 320 A HN 0.782 nan 8.150 nan 0.000 0.506 321 D N -1.050 119.347 120.400 -0.005 0.000 2.362 321 D HA 0.419 5.059 4.640 -0.000 0.000 0.242 321 D C 1.268 177.565 176.300 -0.004 0.000 1.132 321 D CA 1.435 55.431 54.000 -0.006 0.000 0.907 321 D CB 0.469 41.266 40.800 -0.005 0.000 1.195 321 D HN 1.093 nan 8.370 nan 0.000 0.429 322 G N 0.236 109.032 108.800 -0.006 0.000 2.205 322 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.269 322 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.269 322 G C 0.395 175.297 174.900 0.004 0.000 0.977 322 G CA 0.476 45.574 45.100 -0.003 0.000 0.652 322 G HN 0.472 nan 8.290 nan 0.000 0.539 323 V N 1.779 121.694 119.914 0.003 0.000 2.637 323 V HA 0.515 4.635 4.120 -0.000 0.000 0.296 323 V C 1.031 177.134 176.094 0.015 0.000 1.046 323 V CA 0.657 62.962 62.300 0.010 0.000 1.066 323 V CB 1.275 33.096 31.823 -0.004 0.000 0.968 323 V HN 0.726 nan 8.190 nan 0.000 0.483 324 T N 2.292 116.876 114.554 0.052 0.000 2.779 324 T HA 0.766 5.116 4.350 -0.000 0.000 0.280 324 T C -0.809 173.897 174.700 0.010 0.000 0.987 324 T CA -0.681 61.462 62.100 0.072 0.000 0.966 324 T CB 1.467 70.450 68.868 0.191 0.000 0.933 324 T HN 0.329 nan 8.240 nan 0.000 0.442 325 V N 2.395 122.281 119.914 -0.047 0.000 2.709 325 V HA 0.910 5.030 4.120 -0.000 0.000 0.308 325 V C 0.820 176.837 176.094 -0.128 0.000 1.062 325 V CA 0.264 62.492 62.300 -0.119 0.000 0.901 325 V CB 0.997 32.766 31.823 -0.090 0.000 1.003 325 V HN 1.600 nan 8.190 nan 0.000 0.425 326 G N 5.276 113.967 108.800 -0.183 0.000 2.610 326 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.304 326 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.304 326 G C -3.040 171.732 174.900 -0.213 0.000 1.309 326 G CA -0.406 44.571 45.100 -0.205 0.000 0.906 326 G HN 0.733 nan 8.290 nan 0.000 0.521 327 P HA 0.365 nan 4.420 nan 0.000 0.274 327 P C -0.432 176.574 177.300 -0.489 0.000 1.237 327 P CA 0.504 63.292 63.100 -0.519 0.000 0.793 327 P CB 0.043 31.333 31.700 -0.684 0.000 0.977 328 Y N -2.606 117.630 120.300 -0.107 0.000 3.078 328 Y HA -0.118 4.432 4.550 -0.000 0.000 0.202 328 Y C 0.549 176.406 175.900 -0.070 0.000 1.322 328 Y CA 0.655 58.718 58.100 -0.061 0.000 1.118 328 Y CB -2.682 35.779 38.460 0.002 0.000 1.343 328 Y HN 0.576 nan 8.280 nan 0.000 0.499 329 A N 0.138 122.964 122.820 0.010 0.000 2.356 329 A HA 0.797 5.117 4.320 -0.000 0.000 0.323 329 A C -0.834 176.814 177.584 0.106 0.000 1.119 329 A CA -0.638 51.412 52.037 0.022 0.000 0.790 329 A CB 1.443 20.400 19.000 -0.072 0.000 1.273 329 A HN 0.620 nan 8.150 nan 0.000 0.452 330 H N 2.107 121.174 119.070 -0.004 0.000 2.906 330 H HA 0.449 5.005 4.556 -0.000 0.000 0.324 330 H C -1.422 173.893 175.328 -0.022 0.000 0.973 330 H CA -0.890 55.157 56.048 -0.002 0.000 1.321 330 H CB 0.666 30.440 29.762 0.020 0.000 1.535 330 H HN 0.446 nan 8.280 nan 0.000 0.518 331 I N 5.992 126.619 120.570 0.096 0.000 2.306 331 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 331 I C 0.540 176.599 176.117 -0.096 0.000 1.036 331 I CA -0.272 61.002 61.300 -0.044 0.000 1.221 331 I CB 0.705 38.696 38.000 -0.016 0.000 1.385 331 I HN 0.568 nan 8.210 nan 0.000 0.472 332 R N 5.886 126.245 120.500 -0.235 0.000 2.546 332 R HA 0.442 4.782 4.340 -0.000 0.000 0.266 332 R C -2.313 173.923 176.300 -0.107 0.000 1.086 332 R CA -1.689 54.275 56.100 -0.227 0.000 1.160 332 R CB 0.074 30.175 30.300 -0.331 0.000 1.138 332 R HN 0.258 nan 8.270 nan 0.000 0.567 333 P HA -0.217 nan 4.420 nan 0.000 0.265 333 P C -0.822 176.449 177.300 -0.048 0.000 1.167 333 P CA 0.747 63.822 63.100 -0.041 0.000 0.760 333 P CB 0.218 31.899 31.700 -0.032 0.000 0.783 334 N N -1.020 117.660 118.700 -0.033 0.000 2.714 334 N HA -0.154 4.586 4.740 -0.000 0.000 0.253 334 N C -0.741 174.742 175.510 -0.044 0.000 1.024 334 N CA 1.016 54.046 53.050 -0.033 0.000 0.726 334 N CB -1.580 36.889 38.487 -0.031 0.000 0.908 334 N HN 0.284 nan 8.380 nan 0.000 0.542 335 S N -0.157 115.515 115.700 -0.048 0.000 2.568 335 S HA 0.740 5.210 4.470 -0.000 0.000 0.302 335 S C 0.129 174.705 174.600 -0.040 0.000 1.082 335 S CA -0.682 57.484 58.200 -0.057 0.000 1.009 335 S CB 2.323 65.476 63.200 -0.079 0.000 1.069 335 S HN 0.400 nan 8.310 nan 0.000 0.500 336 S N 1.745 117.422 115.700 -0.038 0.000 2.672 336 S HA 0.632 5.102 4.470 -0.000 0.000 0.291 336 S C -1.130 173.455 174.600 -0.026 0.000 1.145 336 S CA -0.865 57.319 58.200 -0.026 0.000 1.013 336 S CB 0.260 63.450 63.200 -0.017 0.000 1.017 336 S HN 0.528 nan 8.310 nan 0.000 0.487 337 L N 3.261 124.469 121.223 -0.024 0.000 2.296 337 L HA 0.690 5.030 4.340 -0.000 0.000 0.286 337 L C 1.071 177.935 176.870 -0.009 0.000 1.023 337 L CA -0.822 54.005 54.840 -0.021 0.000 0.812 337 L CB 1.398 43.439 42.059 -0.030 0.000 1.223 337 L HN 0.959 nan 8.230 nan 0.000 0.421 338 G N 1.681 110.481 108.800 0.000 0.000 2.616 338 G HA2 0.473 4.433 3.960 -0.000 0.000 0.268 338 G HA3 0.473 4.433 3.960 -0.000 0.000 0.268 338 G C 0.091 174.995 174.900 0.006 0.000 1.213 338 G CA -0.337 44.765 45.100 0.004 0.000 0.926 338 G HN 0.797 nan 8.290 nan 0.000 0.523 339 A N -0.563 122.260 122.820 0.006 0.000 2.587 339 A HA 0.314 4.634 4.320 -0.000 0.000 0.235 339 A C 1.109 178.700 177.584 0.011 0.000 1.044 339 A CA 1.163 53.204 52.037 0.006 0.000 0.754 339 A CB -0.298 18.705 19.000 0.004 0.000 0.968 339 A HN 1.046 nan 8.150 nan 0.000 0.509 340 Q N -0.767 119.040 119.800 0.012 0.000 2.348 340 Q HA -0.187 4.153 4.340 -0.000 0.000 0.221 340 Q C 0.112 176.133 176.000 0.036 0.000 0.735 340 Q CA 0.836 56.651 55.803 0.019 0.000 1.351 340 Q CB -2.041 26.705 28.738 0.013 0.000 1.640 340 Q HN 0.621 nan 8.270 nan 0.000 0.667 341 V N 0.769 120.704 119.914 0.034 0.000 2.872 341 V HA 0.042 4.162 4.120 -0.000 0.000 0.307 341 V C 0.214 176.356 176.094 0.079 0.000 1.072 341 V CA 0.730 63.059 62.300 0.048 0.000 1.148 341 V CB 0.842 32.677 31.823 0.020 0.000 0.954 341 V HN 0.248 nan 8.190 nan 0.000 0.490 342 H N 4.436 123.493 119.070 -0.021 0.000 2.589 342 H HA 0.559 5.115 4.556 -0.000 0.000 0.335 342 H C -1.071 174.222 175.328 -0.059 0.000 1.019 342 H CA -0.870 55.151 56.048 -0.044 0.000 1.213 342 H CB 0.988 30.721 29.762 -0.048 0.000 1.472 342 H HN 0.373 nan 8.280 nan 0.000 0.508 343 I N 5.593 125.789 120.570 -0.623 0.000 2.411 343 I HA 0.328 4.498 4.170 -0.000 0.000 0.284 343 I C 1.154 176.850 176.117 -0.702 0.000 1.012 343 I CA -0.199 60.789 61.300 -0.520 0.000 1.119 343 I CB 0.804 38.640 38.000 -0.274 0.000 1.261 343 I HN 0.818 nan 8.210 nan 0.000 0.448 344 G N 6.336 114.720 108.800 -0.693 0.000 2.582 344 G HA2 0.185 4.144 3.960 -0.000 0.000 0.232 344 G HA3 0.185 4.144 3.960 -0.000 0.000 0.232 344 G C 0.104 174.818 174.900 -0.310 0.000 1.458 344 G CA -0.743 44.083 45.100 -0.456 0.000 1.062 344 G HN 0.738 nan 8.290 nan 0.000 0.566 345 N N -1.452 117.052 118.700 -0.327 0.000 2.530 345 N HA 0.214 4.954 4.740 -0.000 0.000 0.273 345 N C -0.882 174.319 175.510 -0.514 0.000 1.173 345 N CA -0.368 52.320 53.050 -0.603 0.000 0.967 345 N CB 0.583 38.474 38.487 -0.994 0.000 1.109 345 N HN 0.349 nan 8.380 nan 0.000 0.453 346 F N -1.815 118.206 119.950 0.119 0.000 3.074 346 F HA -0.176 4.351 4.527 -0.000 0.000 0.287 346 F C -0.910 174.930 175.800 0.066 0.000 0.932 346 F CA -0.266 57.793 58.000 0.097 0.000 0.995 346 F CB -2.218 36.835 39.000 0.089 0.000 0.966 346 F HN 0.254 nan 8.300 nan 0.000 0.721 347 V N 0.140 120.117 119.914 0.105 0.000 2.604 347 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 347 V C 0.047 176.166 176.094 0.041 0.000 1.043 347 V CA -1.029 61.297 62.300 0.042 0.000 0.888 347 V CB 2.357 34.135 31.823 -0.076 0.000 0.995 347 V HN 0.303 nan 8.190 nan 0.000 0.429 348 E N 3.310 123.537 120.200 0.045 0.000 2.187 348 E HA 0.685 5.035 4.350 -0.000 0.000 0.268 348 E C -1.934 174.583 176.600 -0.138 0.000 0.896 348 E CA -0.486 55.934 56.400 0.034 0.000 0.766 348 E CB 2.214 32.036 29.700 0.205 0.000 1.142 348 E HN 0.446 nan 8.360 nan 0.000 0.408 349 V N 4.993 124.793 119.914 -0.190 0.000 2.483 349 V HA 0.398 4.518 4.120 -0.000 0.000 0.297 349 V C -0.508 175.443 176.094 -0.239 0.000 1.027 349 V CA -0.750 61.388 62.300 -0.269 0.000 0.855 349 V CB 1.596 33.293 31.823 -0.211 0.000 0.995 349 V HN 0.603 nan 8.190 nan 0.000 0.424 350 K N 3.406 123.643 120.400 -0.273 0.000 2.471 350 K HA 0.597 4.917 4.320 -0.000 0.000 0.252 350 K C 0.581 177.093 176.600 -0.147 0.000 0.938 350 K CA 0.037 56.218 56.287 -0.176 0.000 0.796 350 K CB 1.722 34.166 32.500 -0.093 0.000 1.161 350 K HN 1.049 nan 8.250 nan 0.000 0.425 351 G N 2.543 111.280 108.800 -0.104 0.000 2.393 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.299 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.299 351 G C -0.751 174.102 174.900 -0.078 0.000 0.990 351 G CA 0.807 45.862 45.100 -0.076 0.000 1.118 351 G HN 0.493 nan 8.290 nan 0.000 0.513 352 S N -0.949 114.697 115.700 -0.089 0.000 2.546 352 S HA 0.786 5.256 4.470 -0.000 0.000 0.274 352 S C -0.014 174.554 174.600 -0.055 0.000 1.121 352 S CA -0.090 58.063 58.200 -0.077 0.000 0.887 352 S CB 2.102 65.230 63.200 -0.120 0.000 1.094 352 S HN 1.317 nan 8.310 nan 0.000 0.474 353 S N 1.812 117.494 115.700 -0.029 0.000 2.489 353 S HA 0.761 5.231 4.470 -0.000 0.000 0.291 353 S C -0.577 174.023 174.600 -0.000 0.000 1.151 353 S CA -0.690 57.501 58.200 -0.015 0.000 1.082 353 S CB 0.233 63.430 63.200 -0.005 0.000 1.019 353 S HN 0.610 nan 8.310 nan 0.000 0.492 354 I N 2.578 123.149 120.570 0.002 0.000 2.418 354 I HA 0.447 4.617 4.170 -0.000 0.000 0.287 354 I C 0.956 177.090 176.117 0.028 0.000 1.008 354 I CA -0.837 60.480 61.300 0.030 0.000 1.104 354 I CB 1.774 39.786 38.000 0.019 0.000 1.264 354 I HN 0.909 nan 8.210 nan 0.000 0.438 355 G N 4.579 113.401 108.800 0.037 0.000 2.634 355 G HA2 0.231 4.190 3.960 -0.000 0.000 0.255 355 G HA3 0.231 4.190 3.960 -0.000 0.000 0.255 355 G C -0.069 174.847 174.900 0.028 0.000 1.205 355 G CA -0.478 44.637 45.100 0.026 0.000 0.884 355 G HN 0.759 nan 8.290 nan 0.000 0.549 356 E N 0.114 120.325 120.200 0.020 0.000 2.437 356 E HA -0.037 4.313 4.350 -0.000 0.000 0.263 356 E C -0.003 176.612 176.600 0.025 0.000 1.030 356 E CA 0.028 56.440 56.400 0.020 0.000 0.934 356 E CB 0.348 30.056 29.700 0.014 0.000 0.943 356 E HN 0.505 nan 8.360 nan 0.000 0.444 357 N N -0.392 118.325 118.700 0.028 0.000 2.857 357 N HA -0.166 4.574 4.740 -0.000 0.000 0.242 357 N C -0.574 174.962 175.510 0.044 0.000 0.983 357 N CA 1.568 54.638 53.050 0.032 0.000 0.934 357 N CB -1.798 36.703 38.487 0.022 0.000 1.115 357 N HN 0.578 nan 8.380 nan 0.000 0.593 358 T N 2.229 116.814 114.554 0.053 0.000 2.926 358 T HA 0.262 4.612 4.350 -0.000 0.000 0.307 358 T C 0.753 175.519 174.700 0.110 0.000 1.059 358 T CA 0.045 62.189 62.100 0.073 0.000 1.122 358 T CB 1.004 69.933 68.868 0.102 0.000 0.972 358 T HN 0.146 nan 8.240 nan 0.000 0.545 359 K N 0.391 120.871 120.400 0.133 0.000 2.422 359 K HA 0.746 5.066 4.320 -0.000 0.000 0.251 359 K C -1.613 175.121 176.600 0.224 0.000 0.933 359 K CA -1.233 55.150 56.287 0.159 0.000 0.798 359 K CB 2.374 34.967 32.500 0.155 0.000 1.238 359 K HN 0.509 nan 8.250 nan 0.000 0.428 360 A N 1.610 124.492 122.820 0.103 0.000 2.702 360 A HA 0.512 4.832 4.320 -0.000 0.000 0.305 360 A C 0.560 178.065 177.584 -0.132 0.000 1.213 360 A CA -0.483 51.578 52.037 0.041 0.000 0.745 360 A CB 0.701 19.592 19.000 -0.181 0.000 1.161 360 A HN 0.919 nan 8.150 nan 0.000 0.445 361 G N 0.767 109.458 108.800 -0.181 0.000 2.712 361 G HA2 0.345 4.305 3.960 -0.000 0.000 0.212 361 G HA3 0.345 4.305 3.960 -0.000 0.000 0.212 361 G C 0.515 174.984 174.900 -0.718 0.000 1.142 361 G CA 0.645 45.413 45.100 -0.552 0.000 0.789 361 G HN 0.921 nan 8.290 nan 0.000 0.535 362 H N -2.480 116.616 119.070 0.043 0.000 3.094 362 H HA 0.199 4.755 4.556 -0.000 0.000 0.335 362 H C -0.436 174.968 175.328 0.125 0.000 1.254 362 H CA -1.487 54.613 56.048 0.087 0.000 1.240 362 H CB 0.407 30.245 29.762 0.127 0.000 1.936 362 H HN -0.098 nan 8.280 nan 0.000 0.536 363 L N 1.093 122.531 121.223 0.358 0.000 4.035 363 L HA -0.212 4.128 4.340 -0.000 0.000 0.490 363 L C -0.591 176.385 176.870 0.176 0.000 1.163 363 L CA 0.963 55.968 54.840 0.274 0.000 0.680 363 L CB -1.639 40.550 42.059 0.217 0.000 1.409 363 L HN 0.742 nan 8.230 nan 0.000 0.786 364 T N -0.764 113.873 114.554 0.138 0.000 2.909 364 T HA 0.522 4.872 4.350 -0.000 0.000 0.299 364 T C -1.216 173.525 174.700 0.069 0.000 1.073 364 T CA -0.641 61.503 62.100 0.074 0.000 0.999 364 T CB 2.011 70.872 68.868 -0.013 0.000 1.098 364 T HN 0.130 nan 8.240 nan 0.000 0.477 365 Y N 3.049 123.306 120.300 -0.071 0.000 2.331 365 Y HA 0.723 5.273 4.550 -0.000 0.000 0.334 365 Y C -1.366 174.450 175.900 -0.141 0.000 0.960 365 Y CA -1.309 56.739 58.100 -0.087 0.000 1.130 365 Y CB 0.658 39.096 38.460 -0.038 0.000 1.164 365 Y HN 0.560 nan 8.280 nan 0.000 0.458 366 I N 6.377 126.445 120.570 -0.836 0.000 2.439 366 I HA 0.575 4.745 4.170 -0.000 0.000 0.283 366 I C -0.074 175.527 176.117 -0.861 0.000 1.023 366 I CA -0.612 60.252 61.300 -0.727 0.000 1.100 366 I CB 1.714 39.347 38.000 -0.611 0.000 1.238 366 I HN 0.844 nan 8.210 nan 0.000 0.445 367 G N 2.991 111.330 108.800 -0.768 0.000 2.643 367 G HA2 0.412 4.372 3.960 -0.000 0.000 0.305 367 G HA3 0.412 4.372 3.960 -0.000 0.000 0.305 367 G C -0.308 174.502 174.900 -0.151 0.000 1.387 367 G CA -0.586 44.237 45.100 -0.461 0.000 0.982 367 G HN 0.665 nan 8.290 nan 0.000 0.501 368 N N -1.287 117.356 118.700 -0.096 0.000 2.740 368 N HA -0.195 4.545 4.740 -0.000 0.000 0.248 368 N C -0.301 175.200 175.510 -0.015 0.000 1.062 368 N CA 1.065 54.096 53.050 -0.032 0.000 0.704 368 N CB -1.396 37.099 38.487 0.013 0.000 0.968 368 N HN 0.610 nan 8.380 nan 0.000 0.547 369 C N -0.051 119.226 119.300 -0.037 0.000 2.561 369 C HA 0.530 4.990 4.460 -0.000 0.000 0.319 369 C C 0.589 175.585 174.990 0.009 0.000 1.198 369 C CA -0.951 58.069 59.018 0.002 0.000 1.665 369 C CB 1.874 29.625 27.740 0.017 0.000 2.258 369 C HN 0.374 nan 8.230 nan 0.000 0.493 370 E N 1.449 121.667 120.200 0.029 0.000 2.073 370 E HA 0.565 4.915 4.350 -0.000 0.000 0.269 370 E C -1.335 175.292 176.600 0.046 0.000 0.917 370 E CA -0.105 56.311 56.400 0.027 0.000 0.757 370 E CB 0.869 30.583 29.700 0.024 0.000 1.111 370 E HN 0.553 nan 8.360 nan 0.000 0.410 371 V N 3.421 123.369 119.914 0.057 0.000 2.513 371 V HA 0.528 4.648 4.120 -0.000 0.000 0.299 371 V C 0.948 177.072 176.094 0.050 0.000 1.035 371 V CA -0.640 61.710 62.300 0.084 0.000 0.889 371 V CB 1.628 33.560 31.823 0.183 0.000 0.988 371 V HN 0.769 nan 8.190 nan 0.000 0.440 372 G N 2.419 111.236 108.800 0.027 0.000 2.494 372 G HA2 0.463 4.423 3.960 -0.000 0.000 0.270 372 G HA3 0.463 4.423 3.960 -0.000 0.000 0.270 372 G C 0.170 175.079 174.900 0.015 0.000 1.423 372 G CA 0.074 45.182 45.100 0.014 0.000 1.055 372 G HN 0.930 nan 8.290 nan 0.000 0.536 373 S N -1.036 114.669 115.700 0.008 0.000 2.585 373 S HA 0.295 4.764 4.470 -0.000 0.000 0.277 373 S C 0.441 175.043 174.600 0.003 0.000 1.241 373 S CA -0.243 57.964 58.200 0.010 0.000 1.041 373 S CB 1.225 64.431 63.200 0.010 0.000 0.987 373 S HN 0.694 nan 8.310 nan 0.000 0.512 374 N N -0.769 117.936 118.700 0.009 0.000 2.741 374 N HA -0.129 4.611 4.740 -0.000 0.000 0.251 374 N C -0.425 175.076 175.510 -0.015 0.000 1.112 374 N CA 0.745 53.799 53.050 0.007 0.000 0.750 374 N CB -1.716 36.778 38.487 0.013 0.000 1.119 374 N HN 0.513 nan 8.380 nan 0.000 0.561 375 V N 0.699 120.584 119.914 -0.049 0.000 3.003 375 V HA 0.225 4.345 4.120 -0.000 0.000 0.305 375 V C 0.718 176.692 176.094 -0.199 0.000 1.078 375 V CA -0.182 62.022 62.300 -0.161 0.000 1.083 375 V CB 1.548 33.220 31.823 -0.251 0.000 1.039 375 V HN 0.241 nan 8.190 nan 0.000 0.481 376 N N 1.233 119.713 118.700 -0.366 0.000 2.410 376 N HA 0.531 5.271 4.740 -0.000 0.000 0.287 376 N C -1.553 173.620 175.510 -0.561 0.000 1.044 376 N CA -0.407 52.418 53.050 -0.376 0.000 0.881 376 N CB 1.088 39.292 38.487 -0.471 0.000 1.405 376 N HN 0.457 nan 8.380 nan 0.000 0.490 377 F N 1.329 121.163 119.950 -0.192 0.000 2.388 377 F HA 0.469 4.996 4.527 0.000 0.000 0.358 377 F C 1.345 177.076 175.800 -0.115 0.000 1.122 377 F CA -0.694 57.218 58.000 -0.146 0.000 1.056 377 F CB 1.495 40.455 39.000 -0.067 0.000 1.155 377 F HN 0.370 nan 8.300 nan 0.000 0.461 378 G N 1.777 110.570 108.800 -0.011 0.000 2.527 378 G HA2 0.438 4.398 3.960 -0.000 0.000 0.248 378 G HA3 0.438 4.398 3.960 -0.000 0.000 0.248 378 G C -0.231 174.753 174.900 0.140 0.000 1.231 378 G CA -0.617 44.502 45.100 0.032 0.000 0.838 378 G HN 0.936 nan 8.290 nan 0.000 0.570 379 A N 0.187 123.083 122.820 0.127 0.000 2.587 379 A HA 0.488 4.808 4.320 -0.000 0.000 0.235 379 A C 1.705 179.335 177.584 0.076 0.000 1.044 379 A CA 1.405 53.498 52.037 0.092 0.000 0.754 379 A CB -0.324 18.514 19.000 -0.270 0.000 0.968 379 A HN 2.615 nan 8.150 nan 0.000 0.509 380 G N 1.742 110.607 108.800 0.107 0.000 2.213 380 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.236 380 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.236 380 G C 0.532 175.489 174.900 0.095 0.000 0.991 380 G CA 0.427 45.577 45.100 0.084 0.000 0.629 380 G HN 1.258 nan 8.290 nan 0.000 0.517 381 T N 2.243 116.868 114.554 0.118 0.000 2.932 381 T HA 0.491 4.841 4.350 -0.000 0.000 0.312 381 T C 0.240 175.017 174.700 0.128 0.000 1.071 381 T CA 0.555 62.736 62.100 0.135 0.000 1.128 381 T CB 1.077 70.069 68.868 0.206 0.000 0.984 381 T HN 0.308 nan 8.240 nan 0.000 0.549 382 I N 2.963 123.614 120.570 0.136 0.000 2.534 382 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 382 I C 0.478 176.697 176.117 0.170 0.000 1.077 382 I CA -0.773 60.625 61.300 0.164 0.000 1.051 382 I CB 1.813 39.896 38.000 0.138 0.000 1.234 382 I HN 0.707 nan 8.210 nan 0.000 0.425 383 T N 3.309 117.980 114.554 0.195 0.000 2.733 383 T HA 0.598 4.948 4.350 -0.000 0.000 0.294 383 T C -0.191 174.654 174.700 0.242 0.000 0.956 383 T CA -0.596 61.601 62.100 0.162 0.000 0.987 383 T CB 0.979 69.885 68.868 0.064 0.000 0.920 383 T HN 0.209 nan 8.240 nan 0.000 0.470 384 V N 5.384 125.410 119.914 0.186 0.000 2.385 384 V HA 0.330 4.450 4.120 -0.000 0.000 0.269 384 V C 1.075 177.294 176.094 0.208 0.000 1.043 384 V CA -0.519 61.894 62.300 0.189 0.000 0.906 384 V CB 0.170 32.071 31.823 0.130 0.000 0.995 384 V HN 1.094 nan 8.190 nan 0.000 0.467 385 N N 2.960 121.815 118.700 0.257 0.000 2.241 385 N HA 0.177 4.917 4.740 -0.000 0.000 0.238 385 N C -0.638 175.075 175.510 0.338 0.000 1.244 385 N CA -0.474 52.742 53.050 0.277 0.000 0.880 385 N CB 0.673 39.289 38.487 0.215 0.000 1.179 385 N HN 0.551 nan 8.380 nan 0.000 0.513 386 Y N 1.785 122.176 120.300 0.150 0.000 2.479 386 Y HA 0.253 4.803 4.550 -0.000 0.000 0.338 386 Y C -1.388 174.585 175.900 0.121 0.000 1.055 386 Y CA -1.300 56.862 58.100 0.102 0.000 1.023 386 Y CB 1.719 40.205 38.460 0.043 0.000 1.287 386 Y HN 0.114 nan 8.280 nan 0.000 0.447 387 D N 1.833 122.034 120.400 -0.332 0.000 2.501 387 D HA 0.313 4.953 4.640 -0.000 0.000 0.224 387 D C 1.331 177.286 176.300 -0.574 0.000 1.202 387 D CA 0.403 54.227 54.000 -0.293 0.000 0.829 387 D CB 0.450 41.248 40.800 -0.004 0.000 1.023 387 D HN 1.026 nan 8.370 nan 0.000 0.499 388 G N 0.590 108.517 108.800 -1.454 0.000 2.213 388 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.236 388 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.236 388 G C 0.839 175.458 174.900 -0.468 0.000 0.991 388 G CA 0.479 44.990 45.100 -0.982 0.000 0.629 388 G HN 0.518 nan 8.290 nan 0.000 0.517 389 K N -0.573 119.608 120.400 -0.364 0.000 2.735 389 K HA 0.191 4.511 4.320 -0.000 0.000 0.197 389 K C 0.288 176.930 176.600 0.070 0.000 1.468 389 K CA 0.374 56.648 56.287 -0.022 0.000 1.109 389 K CB 0.448 32.929 32.500 -0.030 0.000 1.732 389 K HN 0.345 nan 8.250 nan 0.000 0.541 390 N N 0.544 119.228 118.700 -0.027 0.000 2.328 390 N HA 0.243 4.983 4.740 -0.000 0.000 0.299 390 N C -1.613 173.768 175.510 -0.215 0.000 1.179 390 N CA -0.702 52.268 53.050 -0.134 0.000 0.793 390 N CB 2.149 40.450 38.487 -0.310 0.000 1.366 390 N HN -0.070 nan 8.380 nan 0.000 0.493 391 K N 1.136 121.360 120.400 -0.294 0.000 2.123 391 K HA 0.451 4.771 4.320 -0.000 0.000 0.259 391 K C -1.287 174.982 176.600 -0.551 0.000 0.960 391 K CA -0.529 55.635 56.287 -0.205 0.000 0.872 391 K CB 1.198 33.664 32.500 -0.057 0.000 1.079 391 K HN 0.429 nan 8.250 nan 0.000 0.440 392 Y N 0.336 120.691 120.300 0.092 0.000 2.545 392 Y HA 0.325 4.875 4.550 -0.000 0.000 0.348 392 Y C -0.031 175.901 175.900 0.053 0.000 1.002 392 Y CA -0.974 57.163 58.100 0.061 0.000 1.039 392 Y CB 1.835 40.327 38.460 0.054 0.000 1.271 392 Y HN 0.389 nan 8.280 nan 0.000 0.467 393 K N 0.592 121.107 120.400 0.191 0.000 2.110 393 K HA 0.623 4.943 4.320 -0.000 0.000 0.263 393 K C -1.074 175.590 176.600 0.107 0.000 0.975 393 K CA -0.333 56.022 56.287 0.113 0.000 0.895 393 K CB 0.970 33.515 32.500 0.076 0.000 1.060 393 K HN 0.732 nan 8.250 nan 0.000 0.448 394 T N 2.430 117.032 114.554 0.081 0.000 2.812 394 T HA 0.327 4.677 4.350 -0.000 0.000 0.282 394 T C -1.177 173.559 174.700 0.059 0.000 0.990 394 T CA -0.610 61.534 62.100 0.073 0.000 0.960 394 T CB 1.392 70.309 68.868 0.082 0.000 0.948 394 T HN 0.259 nan 8.240 nan 0.000 0.438 395 V N 5.340 125.284 119.914 0.050 0.000 2.384 395 V HA 0.517 4.637 4.120 -0.000 0.000 0.287 395 V C -0.294 175.821 176.094 0.035 0.000 1.020 395 V CA -0.705 61.619 62.300 0.040 0.000 0.850 395 V CB 1.203 33.045 31.823 0.031 0.000 0.987 395 V HN 0.771 nan 8.190 nan 0.000 0.436 396 I N 4.429 125.020 120.570 0.035 0.000 2.382 396 I HA 0.485 4.655 4.170 -0.000 0.000 0.286 396 I C 1.071 177.187 176.117 -0.002 0.000 1.002 396 I CA -0.346 60.961 61.300 0.011 0.000 1.135 396 I CB 1.680 39.684 38.000 0.007 0.000 1.288 396 I HN 0.697 nan 8.210 nan 0.000 0.448 397 G N 5.057 113.851 108.800 -0.009 0.000 2.583 397 G HA2 0.070 4.030 3.960 -0.000 0.000 0.275 397 G HA3 0.070 4.030 3.960 -0.000 0.000 0.275 397 G C -0.175 174.714 174.900 -0.019 0.000 1.342 397 G CA -0.415 44.680 45.100 -0.008 0.000 1.030 397 G HN 0.582 nan 8.290 nan 0.000 0.520 398 D N 0.478 120.871 120.400 -0.011 0.000 2.341 398 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 398 D C 0.370 176.662 176.300 -0.013 0.000 1.106 398 D CA -0.001 53.993 54.000 -0.011 0.000 0.905 398 D CB 0.685 41.484 40.800 -0.002 0.000 1.202 398 D HN 0.457 nan 8.370 nan 0.000 0.426 399 N N -0.400 118.291 118.700 -0.014 0.000 2.753 399 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 399 N C -0.205 175.310 175.510 0.008 0.000 1.097 399 N CA 0.263 53.314 53.050 0.002 0.000 0.786 399 N CB -1.175 37.320 38.487 0.014 0.000 1.137 399 N HN 0.189 nan 8.380 nan 0.000 0.566 400 V N 0.921 120.813 119.914 -0.038 0.000 2.811 400 V HA 0.182 4.302 4.120 -0.000 0.000 0.302 400 V C 0.460 176.533 176.094 -0.035 0.000 1.063 400 V CA 0.063 62.341 62.300 -0.038 0.000 1.088 400 V CB 0.628 32.392 31.823 -0.098 0.000 0.982 400 V HN 0.180 nan 8.190 nan 0.000 0.485 401 F N 3.998 123.879 119.950 -0.115 0.000 2.366 401 F HA 0.512 5.039 4.527 -0.000 0.000 0.366 401 F C -0.019 175.721 175.800 -0.100 0.000 1.096 401 F CA -0.570 57.368 58.000 -0.104 0.000 1.060 401 F CB 1.157 40.125 39.000 -0.054 0.000 1.282 401 F HN 0.252 nan 8.300 nan 0.000 0.450 402 V N 6.277 126.011 119.914 -0.300 0.000 2.338 402 V HA 0.291 4.411 4.120 -0.000 0.000 0.255 402 V C 1.072 177.109 176.094 -0.095 0.000 1.082 402 V CA -0.527 61.680 62.300 -0.156 0.000 0.951 402 V CB 0.113 31.806 31.823 -0.217 0.000 1.102 402 V HN 0.864 nan 8.190 nan 0.000 0.489 403 G N 4.013 112.857 108.800 0.075 0.000 2.464 403 G HA2 0.142 4.102 3.960 -0.000 0.000 0.231 403 G HA3 0.142 4.102 3.960 -0.000 0.000 0.231 403 G C 0.442 175.389 174.900 0.077 0.000 1.267 403 G CA -0.221 44.954 45.100 0.125 0.000 0.863 403 G HN 0.674 nan 8.290 nan 0.000 0.559 404 S N 1.118 116.865 115.700 0.080 0.000 2.559 404 S HA 0.006 4.476 4.470 -0.000 0.000 0.282 404 S C 1.191 175.829 174.600 0.063 0.000 1.336 404 S CA 0.114 58.353 58.200 0.065 0.000 1.037 404 S CB 0.311 63.540 63.200 0.048 0.000 0.853 404 S HN 0.797 nan 8.310 nan 0.000 0.523 405 N N 0.209 118.946 118.700 0.061 0.000 2.708 405 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 405 N C -0.168 175.377 175.510 0.059 0.000 1.123 405 N CA 1.066 54.148 53.050 0.055 0.000 0.739 405 N CB -1.539 36.971 38.487 0.038 0.000 1.113 405 N HN 0.756 nan 8.380 nan 0.000 0.561 406 S N -2.011 113.732 115.700 0.073 0.000 2.632 406 S HA 0.636 5.106 4.470 -0.000 0.000 0.271 406 S C 0.304 174.951 174.600 0.078 0.000 1.260 406 S CA -0.397 57.845 58.200 0.070 0.000 1.010 406 S CB 2.240 65.484 63.200 0.074 0.000 0.965 406 S HN 0.111 nan 8.310 nan 0.000 0.534 407 T N 2.705 117.301 114.554 0.069 0.000 2.864 407 T HA 0.388 4.738 4.350 -0.000 0.000 0.310 407 T C -0.538 174.205 174.700 0.072 0.000 1.040 407 T CA -0.531 61.613 62.100 0.072 0.000 0.977 407 T CB 0.181 69.082 68.868 0.056 0.000 0.976 407 T HN 0.511 nan 8.240 nan 0.000 0.459 408 I N 5.102 125.725 120.570 0.089 0.000 2.282 408 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 408 I C 0.291 176.457 176.117 0.083 0.000 1.090 408 I CA -0.632 60.718 61.300 0.084 0.000 1.231 408 I CB 0.022 38.084 38.000 0.104 0.000 1.434 408 I HN 0.599 nan 8.210 nan 0.000 0.487 409 I N 5.500 126.106 120.570 0.060 0.000 2.308 409 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 409 I C 1.086 177.226 176.117 0.039 0.000 1.078 409 I CA -0.361 60.971 61.300 0.053 0.000 1.292 409 I CB 0.751 38.767 38.000 0.027 0.000 1.423 409 I HN 0.563 nan 8.210 nan 0.000 0.493 410 A N 9.724 132.588 122.820 0.074 0.000 2.448 410 A HA 0.391 4.711 4.320 -0.000 0.000 0.239 410 A C -2.168 175.397 177.584 -0.032 0.000 1.080 410 A CA -0.854 51.228 52.037 0.075 0.000 0.779 410 A CB -0.369 18.734 19.000 0.171 0.000 1.026 410 A HN 0.536 nan 8.150 nan 0.000 0.499 411 P HA 0.433 nan 4.420 nan 0.000 0.293 411 P C -0.783 176.520 177.300 0.006 0.000 1.313 411 P CA -0.013 63.101 63.100 0.023 0.000 0.787 411 P CB 0.896 32.618 31.700 0.037 0.000 0.910 412 V N 0.045 119.978 119.914 0.032 0.000 3.188 412 V HA 0.670 4.790 4.120 -0.000 0.000 0.305 412 V C -1.019 175.094 176.094 0.031 0.000 1.232 412 V CA -1.142 61.172 62.300 0.023 0.000 1.043 412 V CB 2.402 34.238 31.823 0.021 0.000 1.068 412 V HN 0.544 nan 8.190 nan 0.000 0.439 413 E N 1.192 121.406 120.200 0.023 0.000 2.234 413 E HA 0.665 5.015 4.350 -0.000 0.000 0.266 413 E C -1.790 174.820 176.600 0.017 0.000 0.877 413 E CA -0.866 55.547 56.400 0.022 0.000 0.758 413 E CB 2.135 31.846 29.700 0.018 0.000 1.170 413 E HN 0.815 nan 8.360 nan 0.000 0.415 414 L N 3.969 125.201 121.223 0.015 0.000 2.294 414 L HA 0.504 4.844 4.340 -0.000 0.000 0.283 414 L C 0.759 177.631 176.870 0.002 0.000 1.015 414 L CA -0.916 53.928 54.840 0.007 0.000 0.831 414 L CB 1.470 43.529 42.059 -0.000 0.000 1.217 414 L HN 0.626 nan 8.230 nan 0.000 0.420 415 G N 1.509 110.312 108.800 0.003 0.000 2.636 415 G HA2 0.130 4.090 3.960 -0.000 0.000 0.246 415 G HA3 0.130 4.090 3.960 -0.000 0.000 0.246 415 G C -0.284 174.616 174.900 -0.001 0.000 1.216 415 G CA -0.583 44.518 45.100 0.002 0.000 0.854 415 G HN 0.572 nan 8.290 nan 0.000 0.572 416 D N 0.569 120.969 120.400 -0.001 0.000 2.515 416 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 416 D C 0.993 177.294 176.300 0.001 0.000 1.157 416 D CA 0.622 54.621 54.000 -0.002 0.000 0.871 416 D CB 0.310 41.110 40.800 -0.000 0.000 1.200 416 D HN 0.460 nan 8.370 nan 0.000 0.466 417 N N -1.151 117.552 118.700 0.004 0.000 2.765 417 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 417 N C 0.006 175.526 175.510 0.015 0.000 1.063 417 N CA 1.252 54.308 53.050 0.011 0.000 0.862 417 N CB -1.786 36.703 38.487 0.004 0.000 1.145 417 N HN 0.533 nan 8.380 nan 0.000 0.581 418 S N 0.050 115.759 115.700 0.014 0.000 2.617 418 S HA 0.602 5.072 4.470 -0.000 0.000 0.259 418 S C 0.342 174.970 174.600 0.048 0.000 1.301 418 S CA -0.704 57.508 58.200 0.019 0.000 0.984 418 S CB 2.070 65.277 63.200 0.013 0.000 0.954 418 S HN 0.384 nan 8.310 nan 0.000 0.572 419 L N 0.605 121.858 121.223 0.050 0.000 2.455 419 L HA 0.674 5.014 4.340 -0.000 0.000 0.264 419 L C -1.717 175.199 176.870 0.077 0.000 0.968 419 L CA -0.851 54.047 54.840 0.096 0.000 0.827 419 L CB 1.928 44.027 42.059 0.067 0.000 1.317 419 L HN 0.615 nan 8.230 nan 0.000 0.407 420 V N 3.942 123.916 119.914 0.101 0.000 2.370 420 V HA 0.491 4.611 4.120 -0.000 0.000 0.283 420 V C 0.874 177.027 176.094 0.097 0.000 1.023 420 V CA -0.281 62.064 62.300 0.075 0.000 0.857 420 V CB 1.373 33.232 31.823 0.060 0.000 0.985 420 V HN 0.902 nan 8.190 nan 0.000 0.443 421 G N 3.969 112.810 108.800 0.070 0.000 2.353 421 G HA2 0.404 4.364 3.960 -0.000 0.000 0.239 421 G HA3 0.404 4.364 3.960 -0.000 0.000 0.239 421 G C 0.512 175.457 174.900 0.075 0.000 1.295 421 G CA 0.292 45.434 45.100 0.069 0.000 0.884 421 G HN 1.185 nan 8.290 nan 0.000 0.537 422 A N 1.318 124.191 122.820 0.088 0.000 2.555 422 A HA 0.503 4.822 4.320 -0.000 0.000 0.233 422 A C 1.804 179.420 177.584 0.054 0.000 1.060 422 A CA 1.233 53.317 52.037 0.078 0.000 0.759 422 A CB -0.254 18.794 19.000 0.079 0.000 0.995 422 A HN 2.664 nan 8.150 nan 0.000 0.506 423 G N 1.175 110.005 108.800 0.049 0.000 2.155 423 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 423 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 423 G C 0.449 175.371 174.900 0.035 0.000 0.983 423 G CA 0.588 45.710 45.100 0.038 0.000 0.676 423 G HN 1.209 nan 8.290 nan 0.000 0.528 424 S N -0.189 115.536 115.700 0.041 0.000 2.610 424 S HA 0.660 5.130 4.470 -0.000 0.000 0.273 424 S C 0.288 174.911 174.600 0.038 0.000 1.274 424 S CA 0.024 58.246 58.200 0.036 0.000 1.023 424 S CB 1.661 64.884 63.200 0.039 0.000 0.962 424 S HN 0.336 nan 8.310 nan 0.000 0.523 425 T N 3.251 117.823 114.554 0.030 0.000 2.788 425 T HA 0.389 4.738 4.350 -0.000 0.000 0.296 425 T C -0.516 174.201 174.700 0.027 0.000 1.009 425 T CA -0.457 61.661 62.100 0.030 0.000 0.949 425 T CB 0.126 69.008 68.868 0.023 0.000 0.946 425 T HN 0.270 nan 8.240 nan 0.000 0.453 426 I N 4.565 125.154 120.570 0.032 0.000 2.304 426 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 426 I C 1.689 177.818 176.117 0.020 0.000 1.018 426 I CA -0.462 60.854 61.300 0.027 0.000 1.260 426 I CB 0.734 38.755 38.000 0.034 0.000 1.390 426 I HN 0.734 nan 8.210 nan 0.000 0.475 427 T N 2.649 117.208 114.554 0.009 0.000 2.985 427 T HA 0.313 4.662 4.350 -0.000 0.000 0.254 427 T C 0.633 175.328 174.700 -0.010 0.000 1.021 427 T CA 0.005 62.103 62.100 -0.003 0.000 0.957 427 T CB 0.408 69.271 68.868 -0.009 0.000 1.047 427 T HN 0.435 nan 8.240 nan 0.000 0.511 428 K N 1.257 121.656 120.400 -0.002 0.000 2.443 428 K HA 0.476 4.796 4.320 -0.000 0.000 0.251 428 K C -1.355 175.246 176.600 0.003 0.000 0.972 428 K CA -1.055 55.229 56.287 -0.004 0.000 0.833 428 K CB 1.407 33.904 32.500 -0.005 0.000 1.317 428 K HN -0.018 nan 8.250 nan 0.000 0.441 429 D N 1.110 121.511 120.400 0.002 0.000 2.515 429 D HA 0.007 4.647 4.640 -0.000 0.000 0.232 429 D C -0.478 175.827 176.300 0.007 0.000 1.157 429 D CA 0.429 54.433 54.000 0.006 0.000 0.871 429 D CB 0.683 41.486 40.800 0.005 0.000 1.200 429 D HN 0.013 nan 8.370 nan 0.000 0.466 430 V N 4.306 124.225 119.914 0.009 0.000 2.407 430 V HA 0.245 4.365 4.120 -0.000 0.000 0.291 430 V C -1.983 174.115 176.094 0.007 0.000 1.018 430 V CA -1.520 60.786 62.300 0.009 0.000 0.842 430 V CB 1.735 33.566 31.823 0.012 0.000 0.996 430 V HN 0.447 nan 8.190 nan 0.000 0.426 431 P HA 0.167 nan 4.420 nan 0.000 0.270 431 P C -0.136 177.166 177.300 0.003 0.000 1.223 431 P CA -0.044 63.059 63.100 0.004 0.000 0.785 431 P CB 0.812 32.514 31.700 0.002 0.000 0.923 432 A N 2.035 124.857 122.820 0.003 0.000 2.531 432 A HA 0.046 4.366 4.320 -0.000 0.000 0.236 432 A C 0.945 178.530 177.584 0.001 0.000 1.062 432 A CA 0.523 52.561 52.037 0.002 0.000 0.760 432 A CB -0.846 18.155 19.000 0.001 0.000 0.995 432 A HN 0.763 nan 8.150 nan 0.000 0.501 433 D N -1.484 118.916 120.400 0.001 0.000 3.028 433 D HA -0.203 4.437 4.640 -0.000 0.000 0.207 433 D C 0.469 176.767 176.300 -0.003 0.000 1.100 433 D CA 1.601 55.599 54.000 -0.002 0.000 0.995 433 D CB -1.719 39.079 40.800 -0.004 0.000 1.108 433 D HN 1.077 nan 8.370 nan 0.000 0.421 434 A N 0.291 123.111 122.820 0.000 0.000 2.247 434 A HA 0.811 5.131 4.320 -0.000 0.000 0.313 434 A C 0.404 177.990 177.584 0.003 0.000 1.109 434 A CA -0.497 51.540 52.037 0.000 0.000 0.890 434 A CB 1.016 20.017 19.000 0.002 0.000 1.239 434 A HN 0.354 nan 8.150 nan 0.000 0.506 435 I N -3.329 117.243 120.570 0.003 0.000 2.689 435 I HA 0.840 5.010 4.170 -0.000 0.000 0.299 435 I C -0.366 175.758 176.117 0.011 0.000 1.059 435 I CA -0.970 60.335 61.300 0.008 0.000 1.055 435 I CB 2.250 40.251 38.000 0.001 0.000 1.243 435 I HN 0.674 nan 8.210 nan 0.000 0.425 436 A N 6.988 129.820 122.820 0.019 0.000 2.343 436 A HA 0.887 5.206 4.320 -0.000 0.000 0.316 436 A C -0.840 176.757 177.584 0.022 0.000 1.104 436 A CA -0.619 51.429 52.037 0.019 0.000 0.768 436 A CB 1.037 20.050 19.000 0.021 0.000 1.213 436 A HN 0.730 nan 8.150 nan 0.000 0.456 437 I N 1.756 122.336 120.570 0.017 0.000 2.499 437 I HA 0.570 4.740 4.170 -0.000 0.000 0.288 437 I C 0.412 176.539 176.117 0.015 0.000 1.048 437 I CA -0.542 60.769 61.300 0.018 0.000 1.062 437 I CB 2.648 40.657 38.000 0.014 0.000 1.238 437 I HN 0.776 nan 8.210 nan 0.000 0.426 438 G N 6.645 115.456 108.800 0.018 0.000 4.370 438 G HA2 0.496 4.456 3.960 -0.000 0.000 0.295 438 G HA3 0.496 4.456 3.960 -0.000 0.000 0.295 438 G C -0.630 174.280 174.900 0.015 0.000 1.312 438 G CA -0.468 44.641 45.100 0.015 0.000 0.845 438 G HN 0.677 nan 8.290 nan 0.000 0.531 439 R N -0.066 120.442 120.500 0.013 0.000 2.707 439 R HA 0.747 5.086 4.340 -0.000 0.000 0.272 439 R C -0.050 176.255 176.300 0.007 0.000 1.011 439 R CA -0.881 55.227 56.100 0.012 0.000 0.893 439 R CB 0.942 31.252 30.300 0.015 0.000 1.233 439 R HN 0.264 nan 8.270 nan 0.000 0.464 440 G N 1.704 110.507 108.800 0.005 0.000 2.527 440 G HA2 0.239 4.199 3.960 -0.000 0.000 0.248 440 G HA3 0.239 4.199 3.960 -0.000 0.000 0.248 440 G C -0.363 174.536 174.900 -0.001 0.000 1.231 440 G CA -0.830 44.271 45.100 0.001 0.000 0.838 440 G HN 0.483 nan 8.290 nan 0.000 0.570 441 R N 0.737 121.235 120.500 -0.004 0.000 2.441 441 R HA 0.169 4.509 4.340 -0.000 0.000 0.284 441 R C 0.365 176.659 176.300 -0.010 0.000 1.070 441 R CA -0.513 55.583 56.100 -0.006 0.000 1.047 441 R CB 1.086 31.382 30.300 -0.007 0.000 1.016 441 R HN 0.682 nan 8.270 nan 0.000 0.477 442 Q N 2.473 122.266 119.800 -0.011 0.000 2.337 442 Q HA 0.108 4.448 4.340 -0.000 0.000 0.270 442 Q C -0.758 175.226 176.000 -0.025 0.000 1.002 442 Q CA 0.266 56.059 55.803 -0.017 0.000 0.888 442 Q CB 0.638 29.367 28.738 -0.014 0.000 1.222 442 Q HN 0.378 nan 8.270 nan 0.000 0.400 443 I N 3.878 124.426 120.570 -0.036 0.000 2.499 443 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 443 I C -0.933 175.139 176.117 -0.075 0.000 1.048 443 I CA -0.820 60.448 61.300 -0.053 0.000 1.062 443 I CB 1.762 39.727 38.000 -0.058 0.000 1.238 443 I HN 0.670 nan 8.210 nan 0.000 0.426 444 N N 5.771 124.420 118.700 -0.085 0.000 2.399 444 N HA 0.395 5.135 4.740 -0.000 0.000 0.295 444 N C -0.548 174.852 175.510 -0.184 0.000 1.048 444 N CA -0.564 52.422 53.050 -0.106 0.000 0.886 444 N CB 1.883 40.331 38.487 -0.065 0.000 1.185 444 N HN 0.223 nan 8.380 nan 0.000 0.487 445 K N 1.631 121.862 120.400 -0.281 0.000 2.473 445 K HA 0.253 4.573 4.320 -0.000 0.000 0.246 445 K C -0.886 175.540 176.600 -0.290 0.000 1.011 445 K CA -0.628 55.325 56.287 -0.556 0.000 0.984 445 K CB 1.066 32.760 32.500 -1.343 0.000 1.250 445 K HN 0.431 nan 8.250 nan 0.000 0.454 446 D N 2.782 123.117 120.400 -0.108 0.000 2.506 446 D HA -0.071 4.569 4.640 -0.000 0.000 0.234 446 D C 0.885 177.280 176.300 0.158 0.000 1.143 446 D CA 0.935 54.951 54.000 0.026 0.000 0.871 446 D CB 0.667 41.487 40.800 0.033 0.000 1.190 446 D HN 0.403 nan 8.370 nan 0.000 0.459 447 E N 1.108 121.384 120.200 0.127 0.000 3.760 447 E HA -0.306 4.044 4.350 -0.000 0.000 0.317 447 E C 1.288 177.987 176.600 0.166 0.000 0.730 447 E CA 0.947 57.418 56.400 0.118 0.000 1.106 447 E CB -1.476 28.273 29.700 0.081 0.000 1.574 447 E HN 0.613 nan 8.360 nan 0.000 0.451 448 Y N -0.138 120.153 120.300 -0.016 0.000 2.256 448 Y HA -0.104 4.446 4.550 -0.000 0.000 0.288 448 Y C 2.591 178.488 175.900 -0.005 0.000 1.155 448 Y CA 1.383 59.477 58.100 -0.010 0.000 1.203 448 Y CB -0.673 37.792 38.460 0.009 0.000 0.980 448 Y HN 0.284 nan 8.280 nan 0.000 0.530 449 A N -0.475 122.453 122.820 0.180 0.000 2.015 449 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 449 A C 2.279 179.816 177.584 -0.078 0.000 1.163 449 A CA 1.909 54.053 52.037 0.179 0.000 0.646 449 A CB -1.244 17.945 19.000 0.314 0.000 0.806 449 A HN 0.500 nan 8.150 nan 0.000 0.448 450 T N -2.626 111.735 114.554 -0.321 0.000 3.077 450 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 450 T C 1.261 175.774 174.700 -0.310 0.000 1.146 450 T CA 1.216 62.904 62.100 -0.687 0.000 1.091 450 T CB -0.347 68.216 68.868 -0.509 0.000 0.892 450 T HN 0.494 nan 8.240 nan 0.000 0.533 451 R N 0.376 120.782 120.500 -0.156 0.000 2.609 451 R HA 0.510 4.850 4.340 -0.000 0.000 0.326 451 R C -0.530 175.753 176.300 -0.029 0.000 1.090 451 R CA -0.138 55.903 56.100 -0.098 0.000 1.072 451 R CB 0.287 30.512 30.300 -0.126 0.000 1.330 451 R HN 0.389 nan 8.270 nan 0.000 0.572 452 L N -0.724 120.502 121.223 0.004 0.000 2.401 452 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 452 L C -1.888 175.014 176.870 0.054 0.000 0.991 452 L CA -2.623 52.268 54.840 0.085 0.000 0.818 452 L CB 2.256 44.458 42.059 0.237 0.000 1.321 452 L HN -0.205 nan 8.230 nan 0.000 0.413 453 P HA -0.270 nan 4.420 nan 0.000 0.219 453 P C 1.321 178.648 177.300 0.046 0.000 1.153 453 P CA 1.687 64.821 63.100 0.058 0.000 0.865 453 P CB -0.144 31.600 31.700 0.073 0.000 0.788 454 H N -2.644 116.460 119.070 0.057 0.000 2.524 454 H HA -0.050 4.506 4.556 -0.000 0.000 0.282 454 H C 0.802 176.159 175.328 0.048 0.000 1.016 454 H CA 0.597 56.670 56.048 0.043 0.000 1.270 454 H CB -1.335 28.449 29.762 0.036 0.000 1.394 454 H HN 0.229 nan 8.280 nan 0.000 0.568 455 H N 2.868 121.425 119.070 -0.855 0.000 2.886 455 H HA 0.028 4.584 4.556 -0.000 0.000 0.329 455 H C -1.551 173.642 175.328 -0.224 0.000 1.044 455 H CA -1.420 54.284 56.048 -0.572 0.000 1.456 455 H CB 1.580 31.090 29.762 -0.421 0.000 1.464 455 H HN 0.111 nan 8.280 nan 0.000 0.573 456 P HA -0.192 nan 4.420 nan 0.000 0.217 456 P C 1.144 178.418 177.300 -0.042 0.000 1.151 456 P CA 1.880 64.841 63.100 -0.231 0.000 0.849 456 P CB 0.231 31.747 31.700 -0.306 0.000 0.787 457 K N -1.285 119.212 120.400 0.161 0.000 2.280 457 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 457 K C 0.597 177.244 176.600 0.077 0.000 1.047 457 K CA 0.854 57.243 56.287 0.171 0.000 0.942 457 K CB -0.319 32.323 32.500 0.236 0.000 0.739 457 K HN 0.191 nan 8.250 nan 0.000 0.457 458 N N 1.523 120.261 118.700 0.064 0.000 2.380 458 N HA 0.024 4.763 4.740 -0.000 0.000 0.255 458 N C -0.573 174.938 175.510 0.003 0.000 1.158 458 N CA 0.122 53.183 53.050 0.018 0.000 0.878 458 N CB 0.726 39.218 38.487 0.007 0.000 1.138 458 N HN 0.385 nan 8.380 nan 0.000 0.509 459 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 459 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 459 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 459 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 459 Q HN 0.000 nan 8.270 nan 0.000 0.481